Daily Papers

In the past couple of decades, significant research efforts are devoted to the prediction of software bugs. However, most existing work in this domain treats all bugs the same, which is not the case in practice. It is important for a defect prediction method to estimate the severity of the identified bugs so that the higher-severity ones get immediate attention. In this study, we investigate source code metrics, source code representation using large language models (LLMs), and their combination in predicting bug severity labels of two prominent datasets. We leverage several source metrics at method-level granularity to train eight different machine-learning models. Our results suggest that Decision Tree and Random Forest models outperform other models regarding our several evaluation metrics. We then use the pre-trained CodeBERT LLM to study the source code representations' effectiveness in predicting bug severity. CodeBERT finetuning improves the bug severity prediction results significantly in the range of 29%-140% for several evaluation metrics, compared to the best classic prediction model on source code metric. Finally, we integrate source code metrics into CodeBERT as an additional input, using our two proposed architectures, which both enhance the CodeBERT model effectiveness.

We study multiple rule-based and machine learning (ML) models for sepsis detection. We report the first neural network detection and prediction results on three categories of sepsis. We have used the retrospective Medical Information Mart for Intensive Care (MIMIC)-III dataset, restricted to intensive care unit (ICU) patients. Features for prediction were created from only common vital sign measurements. We show significant improvement of AUC score using neural network based ensemble model compared to single ML and rule-based models. For the detection of sepsis, severe sepsis, and septic shock, our model achieves an AUC of 0.97, 0.96 and 0.91, respectively. Four hours before the positive hours, it predicts the same three categories with an AUC of 0.90, 0.91 and 0.90 respectively. Further, we ranked the features and found that using six vital signs consistently provides higher detection and prediction AUC for all the models tested. Our novel ensemble model achieves highest AUC in detecting and predicting sepsis, severe sepsis, and septic shock in the MIMIC-III ICU patients, and is amenable to deployment in hospital settings.

Disease risk prediction has attracted increasing attention in the field of modern healthcare, especially with the latest advances in artificial intelligence (AI). Electronic health records (EHRs), which contain heterogeneous patient information, are widely used in disease risk prediction tasks. One challenge of applying AI models for risk prediction lies in generating interpretable evidence to support the prediction results while retaining the prediction ability. In order to address this problem, we propose the method of jointly embedding words and labels whereby attention modules learn the weights of words from medical notes according to their relevance to the names of risk prediction labels. This approach boosts interpretability by employing an attention mechanism and including the names of prediction tasks in the model. However, its application is only limited to the handling of textual inputs such as medical notes. In this paper, we propose a label dependent attention model LDAM to 1) improve the interpretability by exploiting Clinical-BERT (a biomedical language model pre-trained on a large clinical corpus) to encode biomedically meaningful features and labels jointly; 2) extend the idea of joint embedding to the processing of time-series data, and develop a multi-modal learning framework for integrating heterogeneous information from medical notes and time-series health status indicators. To demonstrate our method, we apply LDAM to the MIMIC-III dataset to predict different disease risks. We evaluate our method both quantitatively and qualitatively. Specifically, the predictive power of LDAM will be shown, and case studies will be carried out to illustrate its interpretability.

Click-through prediction (CTR) models transform features into latent vectors and enumerate possible feature interactions to improve performance based on the input feature set. Therefore, when selecting an optimal feature set, we should consider the influence of both feature and its interaction. However, most previous works focus on either feature field selection or only select feature interaction based on the fixed feature set to produce the feature set. The former restricts search space to the feature field, which is too coarse to determine subtle features. They also do not filter useless feature interactions, leading to higher computation costs and degraded model performance. The latter identifies useful feature interaction from all available features, resulting in many redundant features in the feature set. In this paper, we propose a novel method named OptFS to address these problems. To unify the selection of feature and its interaction, we decompose the selection of each feature interaction into the selection of two correlated features. Such a decomposition makes the model end-to-end trainable given various feature interaction operations. By adopting feature-level search space, we set a learnable gate to determine whether each feature should be within the feature set. Because of the large-scale search space, we develop a learning-by-continuation training scheme to learn such gates. Hence, OptFS generates the feature set only containing features which improve the final prediction results. Experimentally, we evaluate OptFS on three public datasets, demonstrating OptFS can optimize feature sets which enhance the model performance and further reduce both the storage and computational cost.

Accurate Vehicle Trajectory Prediction is critical for automated vehicles and advanced driver assistance systems. Vehicle trajectory prediction consists of two essential tasks, i.e., longitudinal position prediction and lateral position prediction. There is a significant correlation between driving intentions and vehicle motion. In existing work, the three tasks are often conducted separately without considering the relationships between the longitudinal position, lateral position, and driving intention. In this paper, we propose a novel Temporal Multi-Gate Mixture-of-Experts (TMMOE) model for simultaneously predicting the vehicle trajectory and driving intention. The proposed model consists of three layers: a shared layer, an expert layer, and a fully connected layer. In the model, the shared layer utilizes Temporal Convolutional Networks (TCN) to extract temporal features. Then the expert layer is built to identify different information according to the three tasks. Moreover, the fully connected layer is used to integrate and export prediction results. To achieve better performance, uncertainty algorithm is used to construct the multi-task loss function. Finally, the publicly available CitySim dataset validates the TMMOE model, demonstrating superior performance compared to the LSTM model, achieving the highest classification and regression results. Keywords: Vehicle trajectory prediction, driving intentions Classification, Multi-task

The remarkable success in neural networks provokes the selective rationalization. It explains the prediction results by identifying a small subset of the inputs sufficient to support them. Since existing methods still suffer from adopting the shortcuts in data to compose rationales and limited large-scale annotated rationales by human, in this paper, we propose a Shortcuts-fused Selective Rationalization (SSR) method, which boosts the rationalization by discovering and exploiting potential shortcuts. Specifically, SSR first designs a shortcuts discovery approach to detect several potential shortcuts. Then, by introducing the identified shortcuts, we propose two strategies to mitigate the problem of utilizing shortcuts to compose rationales. Finally, we develop two data augmentations methods to close the gap in the number of annotated rationales. Extensive experimental results on real-world datasets clearly validate the effectiveness of our proposed method.

We wish to automatically predict the "speediness" of moving objects in videos---whether they move faster, at, or slower than their "natural" speed. The core component in our approach is SpeedNet---a novel deep network trained to detect if a video is playing at normal rate, or if it is sped up. SpeedNet is trained on a large corpus of natural videos in a self-supervised manner, without requiring any manual annotations. We show how this single, binary classification network can be used to detect arbitrary rates of speediness of objects. We demonstrate prediction results by SpeedNet on a wide range of videos containing complex natural motions, and examine the visual cues it utilizes for making those predictions. Importantly, we show that through predicting the speed of videos, the model learns a powerful and meaningful space-time representation that goes beyond simple motion cues. We demonstrate how those learned features can boost the performance of self-supervised action recognition, and can be used for video retrieval. Furthermore, we also apply SpeedNet for generating time-varying, adaptive video speedups, which can allow viewers to watch videos faster, but with less of the jittery, unnatural motions typical to videos that are sped up uniformly.

Battery Electric Vehicles (BEVs) are increasingly significant in modern cities due to their potential to reduce air pollution. Precise and real-time estimation of energy consumption for them is imperative for effective itinerary planning and optimizing vehicle systems, which can reduce driving range anxiety and decrease energy costs. As public awareness of data privacy increases, adopting approaches that safeguard data privacy in the context of BEV energy consumption modeling is crucial. Federated Learning (FL) is a promising solution mitigating the risk of exposing sensitive information to third parties by allowing local data to remain on devices and only sharing model updates with a central server. Our work investigates the potential of using FL methods, such as FedAvg, and FedPer, to improve BEV energy consumption prediction while maintaining user privacy. We conducted experiments using data from 10 BEVs under simulated real-world driving conditions. Our results demonstrate that the FedAvg-LSTM model achieved a reduction of up to 67.84\% in the MAE value of the prediction results. Furthermore, we explored various real-world scenarios and discussed how FL methods can be employed in those cases. Our findings show that FL methods can effectively improve the performance of BEV energy consumption prediction while maintaining user privacy.

3D referring expression comprehension (3DREC) and segmentation (3DRES) have overlapping objectives, indicating their potential for collaboration. However, existing collaborative approaches predominantly depend on the results of one task to make predictions for the other, limiting effective collaboration. We argue that employing separate branches for 3DREC and 3DRES tasks enhances the model's capacity to learn specific information for each task, enabling them to acquire complementary knowledge. Thus, we propose the MCLN framework, which includes independent branches for 3DREC and 3DRES tasks. This enables dedicated exploration of each task and effective coordination between the branches. Furthermore, to facilitate mutual reinforcement between these branches, we introduce a Relative Superpoint Aggregation (RSA) module and an Adaptive Soft Alignment (ASA) module. These modules significantly contribute to the precise alignment of prediction results from the two branches, directing the module to allocate increased attention to key positions. Comprehensive experimental evaluation demonstrates that our proposed method achieves state-of-the-art performance on both the 3DREC and 3DRES tasks, with an increase of 2.05% in [email protected] for 3DREC and 3.96% in mIoU for 3DRES.

We propose Visual News Captioner, an entity-aware model for the task of news image captioning. We also introduce Visual News, a large-scale benchmark consisting of more than one million news images along with associated news articles, image captions, author information, and other metadata. Unlike the standard image captioning task, news images depict situations where people, locations, and events are of paramount importance. Our proposed method can effectively combine visual and textual features to generate captions with richer information such as events and entities. More specifically, built upon the Transformer architecture, our model is further equipped with novel multi-modal feature fusion techniques and attention mechanisms, which are designed to generate named entities more accurately. Our method utilizes much fewer parameters while achieving slightly better prediction results than competing methods. Our larger and more diverse Visual News dataset further highlights the remaining challenges in captioning news images.

Computer vision technology is being used by many but remains representative of only a few. People have reported misbehavior of computer vision models, including offensive prediction results and lower performance for underrepresented groups. Current computer vision models are typically developed using datasets consisting of manually annotated images or videos; the data and label distributions in these datasets are critical to the models' behavior. In this paper, we examine ImageNet, a large-scale ontology of images that has spurred the development of many modern computer vision methods. We consider three key factors within the "person" subtree of ImageNet that may lead to problematic behavior in downstream computer vision technology: (1) the stagnant concept vocabulary of WordNet, (2) the attempt at exhaustive illustration of all categories with images, and (3) the inequality of representation in the images within concepts. We seek to illuminate the root causes of these concerns and take the first steps to mitigate them constructively.

Automatic phenotype concept recognition from unstructured text remains a challenging task in biomedical text mining research. Previous works that address the task typically use dictionary-based matching methods, which can achieve high precision but suffer from lower recall. Recently, machine learning-based methods have been proposed to identify biomedical concepts, which can recognize more unseen concept synonyms by automatic feature learning. However, most methods require large corpora of manually annotated data for model training, which is difficult to obtain due to the high cost of human annotation. In this paper, we propose PhenoTagger, a hybrid method that combines both dictionary and machine learning-based methods to recognize Human Phenotype Ontology (HPO) concepts in unstructured biomedical text. We first use all concepts and synonyms in HPO to construct a dictionary, which is then used to automatically build a distantly supervised training dataset for machine learning. Next, a cutting-edge deep learning model is trained to classify each candidate phrase (n-gram from input sentence) into a corresponding concept label. Finally, the dictionary and machine learning-based prediction results are combined for improved performance. Our method is validated with two HPO corpora, and the results show that PhenoTagger compares favorably to previous methods. In addition, to demonstrate the generalizability of our method, we retrained PhenoTagger using the disease ontology MEDIC for disease concept recognition to investigate the effect of training on different ontologies. Experimental results on the NCBI disease corpus show that PhenoTagger without requiring manually annotated training data achieves competitive performance as compared with state-of-the-art supervised methods.

Aiming at better representing multivariate relationships, this paper investigates a motif dimensional framework for higher-order graph learning. The graph learning effectiveness can be improved through OFFER. The proposed framework mainly aims at accelerating and improving higher-order graph learning results. We apply the acceleration procedure from the dimensional of network motifs. Specifically, the refined degree for nodes and edges are conducted in two stages: (1) employ motif degree of nodes to refine the adjacency matrix of the network; and (2) employ motif degree of edges to refine the transition probability matrix in the learning process. In order to assess the efficiency of the proposed framework, four popular network representation algorithms are modified and examined. By evaluating the performance of OFFER, both link prediction results and clustering results demonstrate that the graph representation learning algorithms enhanced with OFFER consistently outperform the original algorithms with higher efficiency.

Today's deep learning methods focus on how to design the most appropriate objective functions so that the prediction results of the model can be closest to the ground truth. Meanwhile, an appropriate architecture that can facilitate acquisition of enough information for prediction has to be designed. Existing methods ignore a fact that when input data undergoes layer-by-layer feature extraction and spatial transformation, large amount of information will be lost. This paper will delve into the important issues of data loss when data is transmitted through deep networks, namely information bottleneck and reversible functions. We proposed the concept of programmable gradient information (PGI) to cope with the various changes required by deep networks to achieve multiple objectives. PGI can provide complete input information for the target task to calculate objective function, so that reliable gradient information can be obtained to update network weights. In addition, a new lightweight network architecture -- Generalized Efficient Layer Aggregation Network (GELAN), based on gradient path planning is designed. GELAN's architecture confirms that PGI has gained superior results on lightweight models. We verified the proposed GELAN and PGI on MS COCO dataset based object detection. The results show that GELAN only uses conventional convolution operators to achieve better parameter utilization than the state-of-the-art methods developed based on depth-wise convolution. PGI can be used for variety of models from lightweight to large. It can be used to obtain complete information, so that train-from-scratch models can achieve better results than state-of-the-art models pre-trained using large datasets, the comparison results are shown in Figure 1. The source codes are at: https://github.com/WongKinYiu/yolov9.

Large Language Models (LLMs) have displayed massive improvements in reasoning and decision-making skills and can hold natural conversations with users. Recently, many tool-use benchmark datasets have been proposed. However, existing datasets have the following limitations: (1). Insufficient evaluation scenarios (e.g., only cover limited tool-use scenes). (2). Extensive evaluation costs (e.g., GPT API costs). To address these limitations, in this work, we propose a multi-granularity tool-use benchmark for large language models called MTU-Bench. For the "multi-granularity" property, our MTU-Bench covers five tool usage scenes (i.e., single-turn and single-tool, single-turn and multiple-tool, multiple-turn and single-tool, multiple-turn and multiple-tool, and out-of-distribution tasks). Besides, all evaluation metrics of our MTU-Bench are based on the prediction results and the ground truth without using any GPT or human evaluation metrics. Moreover, our MTU-Bench is collected by transforming existing high-quality datasets to simulate real-world tool usage scenarios, and we also propose an instruction dataset called MTU-Instruct data to enhance the tool-use abilities of existing LLMs. Comprehensive experimental results demonstrate the effectiveness of our MTU-Bench. Code and data will be released at https: //github.com/MTU-Bench-Team/MTU-Bench.git.

A lot of recent work has focused on sparse learned indexes that use deep neural architectures to significantly improve retrieval quality while keeping the efficiency benefits of the inverted index. While such sparse learned structures achieve effectiveness far beyond those of traditional inverted index-based rankers, there is still a gap in effectiveness to the best dense retrievers, or even to sparse methods that leverage more expensive optimizations such as query expansion and query term weighting. We focus on narrowing this gap by revisiting and optimizing DeepImpact, a sparse retrieval approach that uses DocT5Query for document expansion followed by a BERT language model to learn impact scores for document terms. We first reinvestigate the expansion process and find that the recently proposed Doc2Query query filtration does not enhance retrieval quality when used with DeepImpact. Instead, substituting T5 with a fine-tuned Llama 2 model for query prediction results in a considerable improvement. Subsequently, we study training strategies that have proven effective for other models, in particular the use of hard negatives, distillation, and pre-trained CoCondenser model initialization. Our results significantly narrow the effectiveness gap with the most effective versions of SPLADE.

Short-term action anticipation (STA) in first-person videos is a challenging task that involves understanding the next active object interactions and predicting future actions. Existing action anticipation methods have primarily focused on utilizing features extracted from video clips, but often overlooked the importance of objects and their interactions. To this end, we propose a novel approach that applies a guided attention mechanism between the objects, and the spatiotemporal features extracted from video clips, enhancing the motion and contextual information, and further decoding the object-centric and motion-centric information to address the problem of STA in egocentric videos. Our method, GANO (Guided Attention for Next active Objects) is a multi-modal, end-to-end, single transformer-based network. The experimental results performed on the largest egocentric dataset demonstrate that GANO outperforms the existing state-of-the-art methods for the prediction of the next active object label, its bounding box location, the corresponding future action, and the time to contact the object. The ablation study shows the positive contribution of the guided attention mechanism compared to other fusion methods. Moreover, it is possible to improve the next active object location and class label prediction results of GANO by just appending the learnable object tokens with the region of interest embeddings.

The COVID-19 pandemic has posed a heavy burden to the healthcare system worldwide and caused huge social disruption and economic loss. Many deep learning models have been proposed to conduct clinical predictive tasks such as mortality prediction for COVID-19 patients in intensive care units using Electronic Health Record (EHR) data. Despite their initial success in certain clinical applications, there is currently a lack of benchmarking results to achieve a fair comparison so that we can select the optimal model for clinical use. Furthermore, there is a discrepancy between the formulation of traditional prediction tasks and real-world clinical practice in intensive care. To fill these gaps, we propose two clinical prediction tasks, Outcome-specific length-of-stay prediction and Early mortality prediction for COVID-19 patients in intensive care units. The two tasks are adapted from the naive length-of-stay and mortality prediction tasks to accommodate the clinical practice for COVID-19 patients. We propose fair, detailed, open-source data-preprocessing pipelines and evaluate 17 state-of-the-art predictive models on two tasks, including 5 machine learning models, 6 basic deep learning models and 6 deep learning predictive models specifically designed for EHR data. We provide benchmarking results using data from two real-world COVID-19 EHR datasets. One dataset is publicly available without needing any inquiry and another dataset can be accessed on request. We provide fair, reproducible benchmarking results for two tasks. We deploy all experiment results and models on an online platform. We also allow clinicians and researchers to upload their data to the platform and get quick prediction results using our trained models. We hope our efforts can further facilitate deep learning and machine learning research for COVID-19 predictive modeling.

The massive population election simulation aims to model the preferences of specific groups in particular election scenarios. It has garnered significant attention for its potential to forecast real-world social trends. Traditional agent-based modeling (ABM) methods are constrained by their ability to incorporate complex individual background information and provide interactive prediction results. In this paper, we introduce ElectionSim, an innovative election simulation framework based on large language models, designed to support accurate voter simulations and customized distributions, together with an interactive platform to dialogue with simulated voters. We present a million-level voter pool sampled from social media platforms to support accurate individual simulation. We also introduce PPE, a poll-based presidential election benchmark to assess the performance of our framework under the U.S. presidential election scenario. Through extensive experiments and analyses, we demonstrate the effectiveness and robustness of our framework in U.S. presidential election simulations.

Optimizing the phrasing of argumentative text is crucial in higher education and professional development. However, assessing whether and how the different claims in a text should be revised is a hard task, especially for novice writers. In this work, we explore the main challenges to identifying argumentative claims in need of specific revisions. By learning from collaborative editing behaviors in online debates, we seek to capture implicit revision patterns in order to develop approaches aimed at guiding writers in how to further improve their arguments. We systematically compare the ability of common word embedding models to capture the differences between different versions of the same text, and we analyze their impact on various types of writing issues. To deal with the noisy nature of revision-based corpora, we propose a new sampling strategy based on revision distance. Opposed to approaches from prior work, such sampling can be done without employing additional annotations and judgments. Moreover, we provide evidence that using contextual information and domain knowledge can further improve prediction results. How useful a certain type of context is, depends on the issue the claim is suffering from, though.

Text classification is a fundamental language task in Natural Language Processing. A variety of sequential models is capable making good predictions yet there is lack of connection between language semantics and prediction results. This paper proposes a novel influence score (I-score), a greedy search algorithm called Backward Dropping Algorithm (BDA), and a novel feature engineering technique called the "dagger technique". First, the paper proposes a novel influence score (I-score) to detect and search for the important language semantics in text document that are useful for making good prediction in text classification tasks. Next, a greedy search algorithm called the Backward Dropping Algorithm is proposed to handle long-term dependencies in the dataset. Moreover, the paper proposes a novel engineering technique called the "dagger technique" that fully preserve the relationship between explanatory variable and response variable. The proposed techniques can be further generalized into any feed-forward Artificial Neural Networks (ANNs) and Convolutional Neural Networks (CNNs), and any neural network. A real-world application on the Internet Movie Database (IMDB) is used and the proposed methods are applied to improve prediction performance with an 81% error reduction comparing with other popular peers if I-score and "dagger technique" are not implemented.

Finetuned LLMs often exhibit poor uncertainty quantification, manifesting as overconfidence, poor calibration, and unreliable prediction results on test data or out-of-distribution samples. One approach commonly used in vision for alleviating this issue is a deep ensemble, which constructs an ensemble by training the same model multiple times using different random initializations. However, there is a huge challenge to ensembling LLMs: the most effective LLMs are very, very large. Keeping a single LLM in memory is already challenging enough: keeping an ensemble of e.g. 5 LLMs in memory is impossible in many settings. To address these issues, we propose an ensemble approach using Low-Rank Adapters (LoRA), a parameter-efficient fine-tuning technique. Critically, these low-rank adapters represent a very small number of parameters, orders of magnitude less than the underlying pre-trained model. Thus, it is possible to construct large ensembles of LoRA adapters with almost the same computational overhead as using the original model. We find that LoRA ensembles, applied on its own or on top of pre-existing regularization techniques, gives consistent improvements in predictive accuracy and uncertainty quantification.

AI-generated text detection plays an increasingly important role in various fields. In this study, we developed an efficient AI-generated text detection model based on the BERT algorithm, which provides new ideas and methods for solving related problems. In the data preprocessing stage, a series of steps were taken to process the text, including operations such as converting to lowercase, word splitting, removing stop words, stemming extraction, removing digits, and eliminating redundant spaces, to ensure data quality and accuracy. By dividing the dataset into a training set and a test set in the ratio of 60% and 40%, and observing the changes in the accuracy and loss values during the training process, we found that the model performed well during the training process. The accuracy increases steadily from the initial 94.78% to 99.72%, while the loss value decreases from 0.261 to 0.021 and converges gradually, which indicates that the BERT model is able to detect AI-generated text with high accuracy and the prediction results are gradually approaching the real classification results. Further analysis of the results of the training and test sets reveals that in terms of loss value, the average loss of the training set is 0.0565, while the average loss of the test set is 0.0917, showing a slightly higher loss value. As for the accuracy, the average accuracy of the training set reaches 98.1%, while the average accuracy of the test set is 97.71%, which is not much different from each other, indicating that the model has good generalisation ability. In conclusion, the AI-generated text detection model based on the BERT algorithm proposed in this study shows high accuracy and stability in experiments, providing an effective solution for related fields.

Modeling users' dynamic preferences from historical behaviors lies at the core of modern recommender systems. Due to the diverse nature of user interests, recent advances propose the multi-interest networks to encode historical behaviors into multiple interest vectors. In real scenarios, the corresponding items of captured interests are usually retrieved together to get exposure and collected into training data, which produces dependencies among interests. Unfortunately, multi-interest networks may incorrectly concentrate on subtle dependencies among captured interests. Misled by these dependencies, the spurious correlations between irrelevant interests and targets are captured, resulting in the instability of prediction results when training and test distributions do not match. In this paper, we introduce the widely used Hilbert-Schmidt Independence Criterion (HSIC) to measure the degree of independence among captured interests and empirically show that the continuous increase of HSIC may harm model performance. Based on this, we propose a novel multi-interest network, named DEep Stable Multi-Interest Learning (DESMIL), which tries to eliminate the influence of subtle dependencies among captured interests via learning weights for training samples and make model concentrate more on underlying true causation. We conduct extensive experiments on public recommendation datasets, a large-scale industrial dataset and the synthetic datasets which simulate the out-of-distribution data. Experimental results demonstrate that our proposed DESMIL outperforms state-of-the-art models by a significant margin. Besides, we also conduct comprehensive model analysis to reveal the reason why DESMIL works to a certain extent.

Rationale discovery is defined as finding a subset of the input data that maximally supports the prediction of downstream tasks. In graph machine learning context, graph rationale is defined to locate the critical subgraph in the given graph topology, which fundamentally determines the prediction results. In contrast to the rationale subgraph, the remaining subgraph is named the environment subgraph. Graph rationalization can enhance the model performance as the mapping between the graph rationale and prediction label is viewed as invariant, by assumption. To ensure the discriminative power of the extracted rationale subgraphs, a key technique named "intervention" is applied. The core idea of intervention is that given any changing environment subgraphs, the semantics from the rationale subgraph is invariant, which guarantees the correct prediction result. However, most, if not all, of the existing rationalization works on graph data develop their intervention strategies on the graph level, which is coarse-grained. In this paper, we propose well-tailored intervention strategies on graph data. Our idea is driven by the development of Transformer models, whose self-attention module provides rich interactions between input nodes. Based on the self-attention module, our proposed invariant graph Transformer (IGT) can achieve fine-grained, more specifically, node-level and virtual node-level intervention. Our comprehensive experiments involve 7 real-world datasets, and the proposed IGT shows significant performance advantages compared to 13 baseline methods.

Diffusion models have recently achieved great success in the synthesis of high-quality images and videos. However, the existing denoising techniques in diffusion models are commonly based on step-by-step noise predictions, which suffers from high computation cost, resulting in a prohibitive latency for interactive applications. In this paper, we propose AdaptiveDiffusion to relieve this bottleneck by adaptively reducing the noise prediction steps during the denoising process. Our method considers the potential of skipping as many noise prediction steps as possible while keeping the final denoised results identical to the original full-step ones. Specifically, the skipping strategy is guided by the third-order latent difference that indicates the stability between timesteps during the denoising process, which benefits the reusing of previous noise prediction results. Extensive experiments on image and video diffusion models demonstrate that our method can significantly speed up the denoising process while generating identical results to the original process, achieving up to an average 2~5x speedup without quality degradation.

In recent years, medical information technology has made it possible for electronic health record (EHR) to store fairly complete clinical data. This has brought health care into the era of "big data". However, medical data are often sparse and strongly correlated, which means that medical problems cannot be solved effectively. With the rapid development of deep learning in recent years, it has provided opportunities for the use of big data in healthcare. In this paper, we propose a temporal-saptial correlation attention network (TSCAN) to handle some clinical characteristic prediction problems, such as predicting death, predicting length of stay, detecting physiologic decline, and classifying phenotypes. Based on the design of the attention mechanism model, our approach can effectively remove irrelevant items in clinical data and irrelevant nodes in time according to different tasks, so as to obtain more accurate prediction results. Our method can also find key clinical indicators of important outcomes that can be used to improve treatment options. Our experiments use information from the Medical Information Mart for Intensive Care (MIMIC-IV) database, which is open to the public. Finally, we have achieved significant performance benefits of 2.0\% (metric) compared to other SOTA prediction methods. We achieved a staggering 90.7\% on mortality rate, 45.1\% on length of stay. The source code can be find: https://github.com/yuyuheintju/TSCAN.

There is increasing interest in the use of multimodal data in various web applications, such as digital advertising and e-commerce. Typical methods for extracting important information from multimodal data rely on a mid-fusion architecture that combines the feature representations from multiple encoders. However, as the number of modalities increases, several potential problems with the mid-fusion model structure arise, such as an increase in the dimensionality of the concatenated multimodal features and missing modalities. To address these problems, we propose a new concept that considers multimodal inputs as a set of sequences, namely, deep multimodal sequence sets (DM^2S^2). Our set-aware concept consists of three components that capture the relationships among multiple modalities: (a) a BERT-based encoder to handle the inter- and intra-order of elements in the sequences, (b) intra-modality residual attention (IntraMRA) to capture the importance of the elements in a modality, and (c) inter-modality residual attention (InterMRA) to enhance the importance of elements with modality-level granularity further. Our concept exhibits performance that is comparable to or better than the previous set-aware models. Furthermore, we demonstrate that the visualization of the learned InterMRA and IntraMRA weights can provide an interpretation of the prediction results.

This paper reviews the Challenge on Video Saliency Prediction at AIM 2024. The goal of the participants was to develop a method for predicting accurate saliency maps for the provided set of video sequences. Saliency maps are widely exploited in various applications, including video compression, quality assessment, visual perception studies, the advertising industry, etc. For this competition, a previously unused large-scale audio-visual mouse saliency (AViMoS) dataset of 1500 videos with more than 70 observers per video was collected using crowdsourced mouse tracking. The dataset collection methodology has been validated using conventional eye-tracking data and has shown high consistency. Over 30 teams registered in the challenge, and there are 7 teams that submitted the results in the final phase. The final phase solutions were tested and ranked by commonly used quality metrics on a private test subset. The results of this evaluation and the descriptions of the solutions are presented in this report. All data, including the private test subset, is made publicly available on the challenge homepage - https://challenges.videoprocessing.ai/challenges/video-saliency-prediction.html.

In this paper, we introduce the Chinese AI and Law challenge dataset (CAIL2018), the first large-scale Chinese legal dataset for judgment prediction. \dataset contains more than 2.6 million criminal cases published by the Supreme People's Court of China, which are several times larger than other datasets in existing works on judgment prediction. Moreover, the annotations of judgment results are more detailed and rich. It consists of applicable law articles, charges, and prison terms, which are expected to be inferred according to the fact descriptions of cases. For comparison, we implement several conventional text classification baselines for judgment prediction and experimental results show that it is still a challenge for current models to predict the judgment results of legal cases, especially on prison terms. To help the researchers make improvements on legal judgment prediction, both \dataset and baselines will be released after the CAIL competitionhttp://cail.cipsc.org.cn/.

Adverse drug events (ADEs) significantly impact clinical research, causing many clinical trial failures. ADE prediction is key for developing safer medications and enhancing patient outcomes. To support this effort, we introduce CT-ADE, a dataset for multilabel predictive modeling of ADEs in monopharmacy treatments. CT-ADE integrates data from 2,497 unique drugs, encompassing 168,984 drug-ADE pairs extracted from clinical trials, annotated with patient and contextual information, and comprehensive ADE concepts standardized across multiple levels of the MedDRA ontology. Preliminary analyses with large language models (LLMs) achieved F1-scores up to 55.90%. Models using patient and contextual information showed F1-score improvements of 21%-38% over models using only chemical structure data. Our results highlight the importance of target population and treatment regimens in the predictive modeling of ADEs, offering greater performance gains than LLM domain specialization and scaling. CT-ADE provides an essential tool for researchers aiming to leverage artificial intelligence and machine learning to enhance patient safety and minimize the impact of ADEs on pharmaceutical research and development. The dataset is publicly accessible at https://github.com/ds4dh/CT-ADE.

We present the findings of "The Alzheimer's Disease Prediction Of Longitudinal Evolution" (TADPOLE) Challenge, which compared the performance of 92 algorithms from 33 international teams at predicting the future trajectory of 219 individuals at risk of Alzheimer's disease. Challenge participants were required to make a prediction, for each month of a 5-year future time period, of three key outcomes: clinical diagnosis, Alzheimer's Disease Assessment Scale Cognitive Subdomain (ADAS-Cog13), and total volume of the ventricles. The methods used by challenge participants included multivariate linear regression, machine learning methods such as support vector machines and deep neural networks, as well as disease progression models. No single submission was best at predicting all three outcomes. For clinical diagnosis and ventricle volume prediction, the best algorithms strongly outperform simple baselines in predictive ability. However, for ADAS-Cog13 no single submitted prediction method was significantly better than random guesswork. Two ensemble methods based on taking the mean and median over all predictions, obtained top scores on almost all tasks. Better than average performance at diagnosis prediction was generally associated with the additional inclusion of features from cerebrospinal fluid (CSF) samples and diffusion tensor imaging (DTI). On the other hand, better performance at ventricle volume prediction was associated with inclusion of summary statistics, such as the slope or maxima/minima of biomarkers. TADPOLE's unique results suggest that current prediction algorithms provide sufficient accuracy to exploit biomarkers related to clinical diagnosis and ventricle volume, for cohort refinement in clinical trials for Alzheimer's disease. However, results call into question the usage of cognitive test scores for patient selection and as a primary endpoint in clinical trials.

Machine learning models are often used to decide who will receive a loan, a job interview, or a public benefit. Standard techniques to build these models use features about people but overlook their actionability. In turn, models can assign predictions that are fixed, meaning that consumers who are denied loans, interviews, or benefits may be permanently locked out from access to credit, employment, or assistance. In this work, we introduce a formal testing procedure to flag models that assign fixed predictions that we call recourse verification. We develop machinery to reliably determine if a given model can provide recourse to its decision subjects from a set of user-specified actionability constraints. We demonstrate how our tools can ensure recourse and adversarial robustness in real-world datasets and use them to study the infeasibility of recourse in real-world lending datasets. Our results highlight how models can inadvertently assign fixed predictions that permanently bar access, and we provide tools to design algorithms that account for actionability when developing models.

We describe the accurate prediction of ligand-protein interaction (LPI) affinities, also known as drug-target interactions (DTI), with instruction fine-tuned pretrained generative small language models (SLMs). We achieved accurate predictions for a range of affinity values associated with ligand-protein interactions on out-of-sample data in a zero-shot setting. Only the SMILES string of the ligand and the amino acid sequence of the protein were used as the model inputs. Our results demonstrate a clear improvement over machine learning (ML) and free-energy perturbation (FEP+) based methods in accurately predicting a range of ligand-protein interaction affinities, which can be leveraged to further accelerate drug discovery campaigns against challenging therapeutic targets.

Ribosomally synthesized and post-translationally modified peptide (RiPP) biosynthetic enzymes often exhibit promiscuous substrate preferences that cannot be reduced to simple rules. Large language models are promising tools for predicting such peptide fitness landscapes. However, state-of-the-art protein language models are trained on relatively few peptide sequences. A previous study comprehensively profiled the peptide substrate preferences of LazBF (a two-component serine dehydratase) and LazDEF (a three-component azole synthetase) from the lactazole biosynthetic pathway. We demonstrated that masked language modeling of LazBF substrate preferences produced language model embeddings that improved downstream classification models of both LazBF and LazDEF substrates. Similarly, masked language modeling of LazDEF substrate preferences produced embeddings that improved the performance of classification models of both LazBF and LazDEF substrates. Our results suggest that the models learned functional forms that are transferable between distinct enzymatic transformations that act within the same biosynthetic pathway. Our transfer learning method improved performance and data efficiency in data-scarce scenarios. We then fine-tuned models on each data set and showed that the fine-tuned models provided interpretable insight that we anticipate will facilitate the design of substrate libraries that are compatible with desired RiPP biosynthetic pathways.

Class-incremental learning (CIL) is a particularly challenging variant of continual learning, where the goal is to learn to discriminate between all classes presented in an incremental fashion. Existing approaches often suffer from excessive forgetting and imbalance of the scores assigned to classes that have not been seen together during training. In this study, we introduce a novel approach, Prediction Error-based Classification (PEC), which differs from traditional discriminative and generative classification paradigms. PEC computes a class score by measuring the prediction error of a model trained to replicate the outputs of a frozen random neural network on data from that class. The method can be interpreted as approximating a classification rule based on Gaussian Process posterior variance. PEC offers several practical advantages, including sample efficiency, ease of tuning, and effectiveness even when data are presented one class at a time. Our empirical results show that PEC performs strongly in single-pass-through-data CIL, outperforming other rehearsal-free baselines in all cases and rehearsal-based methods with moderate replay buffer size in most cases across multiple benchmarks.

While next-token prediction is considered a promising path towards artificial general intelligence, it has struggled to excel in multimodal tasks, which are still dominated by diffusion models (e.g., Stable Diffusion) and compositional approaches (e.g., CLIP combined with LLMs). In this paper, we introduce Emu3, a new suite of state-of-the-art multimodal models trained solely with next-token prediction. By tokenizing images, text, and videos into a discrete space, we train a single transformer from scratch on a mixture of multimodal sequences. Emu3 outperforms several well-established task-specific models in both generation and perception tasks, surpassing flagship models such as SDXL and LLaVA-1.6, while eliminating the need for diffusion or compositional architectures. Emu3 is also capable of generating high-fidelity video via predicting the next token in a video sequence. We simplify complex multimodal model designs by converging on a singular focus: tokens, unlocking great potential for scaling both during training and inference. Our results demonstrate that next-token prediction is a promising path towards building general multimodal intelligence beyond language. We open-source key techniques and models to support further research in this direction.

The state of health (SOH) of a Li-ion battery is a critical parameter that determines the remaining capacity and the remaining lifetime of the battery. In this paper, we propose SambaMixer a novel structured state space model (SSM) for predicting the state of health of Li-ion batteries. The proposed SSM is based on the MambaMixer architecture, which is designed to handle multi-variate time signals. We evaluate our model on the NASA battery discharge dataset and show that our model outperforms the state-of-the-art on this dataset. We further introduce a novel anchor-based resampling method which ensures time signals are of the expected length while also serving as augmentation technique. Finally, we condition prediction on the sample time and the cycle time difference using positional encodings to improve the performance of our model and to learn recuperation effects. Our results proof that our model is able to predict the SOH of Li-ion batteries with high accuracy and robustness.

While scaling laws provide a reliable methodology for predicting train loss across compute scales for a single data distribution, less is known about how these predictions should change as we change the distribution. In this paper, we derive a strategy for predicting one loss from another and apply it to predict across different pre-training datasets and from pre-training data to downstream task data. Our predictions extrapolate well even at 20x the largest FLOP budget used to fit the curves. More precisely, we find that there are simple shifted power law relationships between (1) the train losses of two models trained on two separate datasets when the models are paired by training compute (train-to-train), (2) the train loss and the test loss on any downstream distribution for a single model (train-to-test), and (3) the test losses of two models trained on two separate train datasets (test-to-test). The results hold up for pre-training datasets that differ substantially (some are entirely code and others have no code at all) and across a variety of downstream tasks. Finally, we find that in some settings these shifted power law relationships can yield more accurate predictions than extrapolating single-dataset scaling laws.

This paper explores feature prediction as a stand-alone objective for unsupervised learning from video and introduces V-JEPA, a collection of vision models trained solely using a feature prediction objective, without the use of pretrained image encoders, text, negative examples, reconstruction, or other sources of supervision. The models are trained on 2 million videos collected from public datasets and are evaluated on downstream image and video tasks. Our results show that learning by predicting video features leads to versatile visual representations that perform well on both motion and appearance-based tasks, without adaption of the model's parameters; e.g., using a frozen backbone. Our largest model, a ViT-H/16 trained only on videos, obtains 81.9% on Kinetics-400, 72.2% on Something-Something-v2, and 77.9% on ImageNet1K.

Semiconductor lasers have been rapidly evolving to meet the demands of next-generation optical networks. This imposes much more stringent requirements on the laser reliability, which are dominated by degradation mechanisms (e.g., sudden degradation) limiting the semiconductor laser lifetime. Physics-based approaches are often used to characterize the degradation behavior analytically, yet explicit domain knowledge and accurate mathematical models are required. Building such models can be very challenging due to a lack of a full understanding of the complex physical processes inducing the degradation under various operating conditions. To overcome the aforementioned limitations, we propose a new data-driven approach, extracting useful insights from the operational monitored data to predict the degradation trend without requiring any specific knowledge or using any physical model. The proposed approach is based on an unsupervised technique, a conditional variational autoencoder, and validated using vertical-cavity surface-emitting laser (VCSEL) and tunable edge emitting laser reliability data. The experimental results confirm that our model (i) achieves a good degradation prediction and generalization performance by yielding an F1 score of 95.3%, (ii) outperforms several baseline ML based anomaly detection techniques, and (iii) helps to shorten the aging tests by early predicting the failed devices before the end of the test and thereby saving costs

Artificial Intelligence (AI) weather prediction (AIWP) models are powerful tools for medium-range forecasts but often lack physical consistency, leading to outputs that violate conservation laws. This study introduces a set of novel physics-based schemes designed to enforce the conservation of global dry air mass, moisture budget, and total atmospheric energy in AIWP models. The schemes are highly modular, allowing for seamless integration into a wide range of AI model architectures. Forecast experiments are conducted to demonstrate the benefit of conservation schemes using FuXi, an example AIWP model, modified and adapted for 1.0-degree grid spacing. Verification results show that the conservation schemes can guide the model in producing forecasts that obey conservation laws. The forecast skills of upper-air and surface variables are also improved, with longer forecast lead times receiving larger benefits. Notably, large performance gains are found in the total precipitation forecasts, owing to the reduction of drizzle bias. The proposed conservation schemes establish a foundation for implementing other physics-based schemes in the future. They also provide a new way to integrate atmospheric domain knowledge into the design and refinement of AIWP models.

Camera-based 3D occupancy prediction has recently garnered increasing attention in outdoor driving scenes. However, research in indoor scenes remains relatively unexplored. The core differences in indoor scenes lie in the complexity of scene scale and the variance in object size. In this paper, we propose a novel method, named ISO, for predicting indoor scene occupancy using monocular images. ISO harnesses the advantages of a pretrained depth model to achieve accurate depth predictions. Furthermore, we introduce the Dual Feature Line of Sight Projection (D-FLoSP) module within ISO, which enhances the learning of 3D voxel features. To foster further research in this domain, we introduce Occ-ScanNet, a large-scale occupancy benchmark for indoor scenes. With a dataset size 40 times larger than the NYUv2 dataset, it facilitates future scalable research in indoor scene analysis. Experimental results on both NYUv2 and Occ-ScanNet demonstrate that our method achieves state-of-the-art performance. The dataset and code are made publicly at https://github.com/hongxiaoy/ISO.git.

Conformal prediction is a powerful tool to generate uncertainty sets with guaranteed coverage using any predictive model, under the assumption that the training and test data are i.i.d.. Recently, it has been shown that adversarial examples are able to manipulate conformal methods to construct prediction sets with invalid coverage rates, as the i.i.d. assumption is violated. To address this issue, a recent work, Randomized Smoothed Conformal Prediction (RSCP), was first proposed to certify the robustness of conformal prediction methods to adversarial noise. However, RSCP has two major limitations: (i) its robustness guarantee is flawed when used in practice and (ii) it tends to produce large uncertainty sets. To address these limitations, we first propose a novel framework called RSCP+ to provide provable robustness guarantee in evaluation, which fixes the issues in the original RSCP method. Next, we propose two novel methods, Post-Training Transformation (PTT) and Robust Conformal Training (RCT), to effectively reduce prediction set size with little computation overhead. Experimental results in CIFAR10, CIFAR100, and ImageNet suggest the baseline method only yields trivial predictions including full label set, while our methods could boost the efficiency by up to 4.36times, 5.46times, and 16.9times respectively and provide practical robustness guarantee. Our codes are available at https://github.com/Trustworthy-ML-Lab/Provably-Robust-Conformal-Prediction.

This study presents an innovative approach for predicting cryptocurrency time series, specifically focusing on Bitcoin, Ethereum, and Litecoin. The methodology integrates the use of technical indicators, a Performer neural network, and BiLSTM (Bidirectional Long Short-Term Memory) to capture temporal dynamics and extract significant features from raw cryptocurrency data. The application of technical indicators, such facilitates the extraction of intricate patterns, momentum, volatility, and trends. The Performer neural network, employing Fast Attention Via positive Orthogonal Random features (FAVOR+), has demonstrated superior computational efficiency and scalability compared to the traditional Multi-head attention mechanism in Transformer models. Additionally, the integration of BiLSTM in the feedforward network enhances the model's capacity to capture temporal dynamics in the data, processing it in both forward and backward directions. This is particularly advantageous for time series data where past and future data points can influence the current state. The proposed method has been applied to the hourly and daily timeframes of the major cryptocurrencies and its performance has been benchmarked against other methods documented in the literature. The results underscore the potential of the proposed method to outperform existing models, marking a significant progression in the field of cryptocurrency price prediction.

Global climate models (GCMs) are the main tools for understanding and predicting climate change. However, due to limited numerical resolutions, these models suffer from major structural uncertainties; e.g., they cannot resolve critical processes such as small-scale eddies in atmospheric and oceanic turbulence. Thus, such small-scale processes have to be represented as a function of the resolved scales via closures (parametrization). The accuracy of these closures is particularly important for capturing climate extremes. Traditionally, such closures are based on heuristics and simplifying assumptions about the unresolved physics. Recently, supervised-learned closures, trained offline on high-fidelity data, have been shown to outperform the classical physics-based closures. However, this approach requires a significant amount of high-fidelity training data and can also lead to instabilities. Reinforcement learning is emerging as a potent alternative for developing such closures as it requires only low-order statistics and leads to stable closures. In Scientific Multi-Agent Reinforcement Learning (SMARL) computational elements serve a dual role of discretization points and learning agents. We leverage SMARL and fundamentals of turbulence physics to learn closures for prototypes of atmospheric and oceanic turbulence. The policy is trained using only the enstrophy spectrum, which is nearly invariant and can be estimated from a few high-fidelity samples (these few samples are far from enough for supervised/offline learning). We show that these closures lead to stable low-resolution simulations that, at a fraction of the cost, can reproduce the high-fidelity simulations' statistics, including the tails of the probability density functions. The results demonstrate the high potential of SMARL for closure modeling for GCMs, especially in the regime of scarce data and indirect observations.

Machine-based prediction of real-world events is garnering attention due to its potential for informed decision-making. Whereas traditional forecasting predominantly hinges on structured data like time-series, recent breakthroughs in language models enable predictions using unstructured text. In particular, (Zou et al., 2022) unveils AutoCast, a new benchmark that employs news articles for answering forecasting queries. Nevertheless, existing methods still trail behind human performance. The cornerstone of accurate forecasting, we argue, lies in identifying a concise, yet rich subset of news snippets from a vast corpus. With this motivation, we introduce AutoCast++, a zero-shot ranking-based context retrieval system, tailored to sift through expansive news document collections for event forecasting. Our approach first re-ranks articles based on zero-shot question-passage relevance, honing in on semantically pertinent news. Following this, the chosen articles are subjected to zero-shot summarization to attain succinct context. Leveraging a pre-trained language model, we conduct both the relevance evaluation and article summarization without needing domain-specific training. Notably, recent articles can sometimes be at odds with preceding ones due to new facts or unanticipated incidents, leading to fluctuating temporal dynamics. To tackle this, our re-ranking mechanism gives preference to more recent articles, and we further regularize the multi-passage representation learning to align with human forecaster responses made on different dates. Empirical results underscore marked improvements across multiple metrics, improving the performance for multiple-choice questions (MCQ) by 48% and true/false (TF) questions by up to 8%.

In this paper, we revisit the limitations of anchor-based lane detection methods, which have predominantly focused on fixed anchors that stem from the edges of the image, disregarding their versatility and quality. To overcome the inflexibility of anchors, we decompose them into learning the heat map of starting points and their associated directions. This decomposition removes the limitations on the starting point of anchors, making our algorithm adaptable to different lane types in various datasets. To enhance the quality of anchors, we introduce the Large Kernel Attention (LKA) for Feature Pyramid Network (FPN). This significantly increases the receptive field, which is crucial in capturing the sufficient context as lane lines typically run throughout the entire image. We have named our proposed system the Anchor Decomposition Network (ADNet). Additionally, we propose the General Lane IoU (GLIoU) loss, which significantly improves the performance of ADNet in complex scenarios. Experimental results on three widely used lane detection benchmarks, VIL-100, CULane, and TuSimple, demonstrate that our approach outperforms the state-of-the-art methods on VIL-100 and exhibits competitive accuracy on CULane and TuSimple. Code and models will be released on https://github.com/ Sephirex-X/ADNet.

This paper contributes a novel and modularized learning-based method for aerial robots navigating cluttered environments containing hard-to-perceive thin obstacles without assuming access to a map or the full pose estimation of the robot. The proposed solution builds upon a semantically-enhanced Variational Autoencoder that is trained with both real-world and simulated depth images to compress the input data, while preserving semantically-labeled thin obstacles and handling invalid pixels in the depth sensor's output. This compressed representation, in addition to the robot's partial state involving its linear/angular velocities and its attitude are then utilized to train an uncertainty-aware 3D Collision Prediction Network in simulation to predict collision scores for candidate action sequences in a predefined motion primitives library. A set of simulation and experimental studies in cluttered environments with various sizes and types of obstacles, including multiple hard-to-perceive thin objects, were conducted to evaluate the performance of the proposed method and compare against an end-to-end trained baseline. The results demonstrate the benefits of the proposed semantically-enhanced deep collision prediction for learning-based autonomous navigation.

Recent camera-based 3D object detection methods have introduced sequential frames to improve the detection performance hoping that multiple frames would mitigate the large depth estimation error. Despite improved detection performance, prior works rely on naive fusion methods (e.g., concatenation) or are limited to static scenes (e.g., temporal stereo), neglecting the importance of the motion cue of objects. These approaches do not fully exploit the potential of sequential images and show limited performance improvements. To address this limitation, we propose a novel 3D object detection model, P2D (Predict to Detect), that integrates a prediction scheme into a detection framework to explicitly extract and leverage motion features. P2D predicts object information in the current frame using solely past frames to learn temporal motion features. We then introduce a novel temporal feature aggregation method that attentively exploits Bird's-Eye-View (BEV) features based on predicted object information, resulting in accurate 3D object detection. Experimental results demonstrate that P2D improves mAP and NDS by 3.0% and 3.7% compared to the sequential image-based baseline, illustrating that incorporating a prediction scheme can significantly improve detection accuracy.

Robust planning in interactive scenarios requires predicting the uncertain future to make risk-aware decisions. Unfortunately, due to long-tail safety-critical events, the risk is often under-estimated by finite-sampling approximations of probabilistic motion forecasts. This can lead to overconfident and unsafe robot behavior, even with robust planners. Instead of assuming full prediction coverage that robust planners require, we propose to make prediction itself risk-aware. We introduce a new prediction objective to learn a risk-biased distribution over trajectories, so that risk evaluation simplifies to an expected cost estimation under this biased distribution. This reduces the sample complexity of the risk estimation during online planning, which is needed for safe real-time performance. Evaluation results in a didactic simulation environment and on a real-world dataset demonstrate the effectiveness of our approach. The code and a demo are available.

Accurately predicting road networks from satellite images requires a global understanding of the network topology. We propose to capture such high-level information by introducing a graph-based framework that simulates the addition of sequences of graph edges using a reinforcement learning (RL) approach. In particular, given a partially generated graph associated with a satellite image, an RL agent nominates modifications that maximize a cumulative reward. As opposed to standard supervised techniques that tend to be more restricted to commonly used surrogate losses, these rewards can be based on various complex, potentially non-continuous, metrics of interest. This yields more power and flexibility to encode problem-dependent knowledge. Empirical results on several benchmark datasets demonstrate enhanced performance and increased high-level reasoning about the graph topology when using a tree-based search. We further highlight the superiority of our approach under substantial occlusions by introducing a new synthetic benchmark dataset for this task.

The popularity of social media has created problems such as hate speech and sexism. The identification and classification of sexism in social media are very relevant tasks, as they would allow building a healthier social environment. Nevertheless, these tasks are considerably challenging. This work proposes a system to use multilingual and monolingual BERT and data points translation and ensemble strategies for sexism identification and classification in English and Spanish. It was conducted in the context of the sEXism Identification in Social neTworks shared 2021 (EXIST 2021) task, proposed by the Iberian Languages Evaluation Forum (IberLEF). The proposed system and its main components are described, and an in-depth hyperparameters analysis is conducted. The main results observed were: (i) the system obtained better results than the baseline model (multilingual BERT); (ii) ensemble models obtained better results than monolingual models; and (iii) an ensemble model considering all individual models and the best standardized values obtained the best accuracies and F1-scores for both tasks. This work obtained first place in both tasks at EXIST, with the highest accuracies (0.780 for task 1 and 0.658 for task 2) and F1-scores (F1-binary of 0.780 for task 1 and F1-macro of 0.579 for task 2).

We introduce PerSenT, a dataset of crowd-sourced annotations of the sentiment expressed by the authors towards the main entities in news articles. The dataset also includes paragraph-level sentiment annotations to provide more fine-grained supervision for the task. Our benchmarks of multiple strong baselines show that this is a difficult classification task. The results also suggest that simply fine-tuning document-level representations from BERT isn't adequate for this task. Making paragraph-level decisions and aggregating them over the entire document is also ineffective. We present empirical and qualitative analyses that illustrate the specific challenges posed by this dataset. We release this dataset with 5.3k documents and 38k paragraphs covering 3.2k unique entities as a challenge in entity sentiment analysis.

Designing robust and accurate predictive models for stock price prediction has been an active area of research for a long time. While on one side, the supporters of the efficient market hypothesis claim that it is impossible to forecast stock prices accurately, many researchers believe otherwise. There exist propositions in the literature that have demonstrated that if properly designed and optimized, predictive models can very accurately and reliably predict future values of stock prices. This paper presents a suite of deep learning based models for stock price prediction. We use the historical records of the NIFTY 50 index listed in the National Stock Exchange of India, during the period from December 29, 2008 to July 31, 2020, for training and testing the models. Our proposition includes two regression models built on convolutional neural networks and three long and short term memory network based predictive models. To forecast the open values of the NIFTY 50 index records, we adopted a multi step prediction technique with walk forward validation. In this approach, the open values of the NIFTY 50 index are predicted on a time horizon of one week, and once a week is over, the actual index values are included in the training set before the model is trained again, and the forecasts for the next week are made. We present detailed results on the forecasting accuracies for all our proposed models. The results show that while all the models are very accurate in forecasting the NIFTY 50 open values, the univariate encoder decoder convolutional LSTM with the previous two weeks data as the input is the most accurate model. On the other hand, a univariate CNN model with previous one week data as the input is found to be the fastest model in terms of its execution speed.

Prediction of stock prices has been an important area of research for a long time. While supporters of the efficient market hypothesis believe that it is impossible to predict stock prices accurately, there are formal propositions demonstrating that accurate modeling and designing of appropriate variables may lead to models using which stock prices and stock price movement patterns can be very accurately predicted. In this work, we propose an approach of hybrid modeling for stock price prediction building different machine learning and deep learning-based models. For the purpose of our study, we have used NIFTY 50 index values of the National Stock Exchange (NSE) of India, during the period December 29, 2014 till July 31, 2020. We have built eight regression models using the training data that consisted of NIFTY 50 index records during December 29, 2014 till December 28, 2018. Using these regression models, we predicted the open values of NIFTY 50 for the period December 31, 2018 till July 31, 2020. We, then, augment the predictive power of our forecasting framework by building four deep learning-based regression models using long-and short-term memory (LSTM) networks with a novel approach of walk-forward validation. We exploit the power of LSTM regression models in forecasting the future NIFTY 50 open values using four different models that differ in their architecture and in the structure of their input data. Extensive results are presented on various metrics for the all the regression models. The results clearly indicate that the LSTM-based univariate model that uses one-week prior data as input for predicting the next week open value of the NIFTY 50 time series is the most accurate model.

This work explores the application of textual entailment in news claim verification and stance prediction using a new corpus in Arabic. The publicly available corpus comes in two perspectives: a version consisting of 4,547 true and false claims and a version consisting of 3,786 pairs (claim, evidence). We describe the methodology for creating the corpus and the annotation process. Using the introduced corpus, we also develop two machine learning baselines for two proposed tasks: claim verification and stance prediction. Our best model utilizes pretraining (BERT) and achieves 76.7 F1 on the stance prediction task and 64.3 F1 on the claim verification task. Our preliminary experiments shed some light on the limits of automatic claim verification that relies on claims text only. Results hint that while the linguistic features and world knowledge learned during pretraining are useful for stance prediction, such learned representations from pretraining are insufficient for verifying claims without access to context or evidence.

Prediction of future movement of stock prices has been a subject matter of many research work. In this work, we propose a hybrid approach for stock price prediction using machine learning and deep learning-based methods. We select the NIFTY 50 index values of the National Stock Exchange of India, over a period of four years, from January 2015 till December 2019. Based on the NIFTY data during the said period, we build various predictive models using machine learning approaches, and then use those models to predict the Close value of NIFTY 50 for the year 2019, with a forecast horizon of one week. For predicting the NIFTY index movement patterns, we use a number of classification methods, while for forecasting the actual Close values of NIFTY index, various regression models are built. We, then, augment our predictive power of the models by building a deep learning-based regression model using Convolutional Neural Network with a walk-forward validation. The CNN model is fine-tuned for its parameters so that the validation loss stabilizes with increasing number of iterations, and the training and validation accuracies converge. We exploit the power of CNN in forecasting the future NIFTY index values using three approaches which differ in number of variables used in forecasting, number of sub-models used in the overall models and, size of the input data for training the models. Extensive results are presented on various metrics for all classification and regression models. The results clearly indicate that CNN-based multivariate forecasting model is the most effective and accurate in predicting the movement of NIFTY index values with a weekly forecast horizon.

Financial markets have a vital role in the development of modern society. They allow the deployment of economic resources. Changes in stock prices reflect changes in the market. In this study, we focus on predicting stock prices by deep learning model. This is a challenge task, because there is much noise and uncertainty in information that is related to stock prices. So this work uses sparse autoencoders with one-dimension (1-D) residual convolutional networks which is a deep learning model, to de-noise the data. Long-short term memory (LSTM) is then used to predict the stock price. The prices, indices and macroeconomic variables in past are the features used to predict the next day's price. Experiment results show that 1-D residual convolutional networks can de-noise data and extract deep features better than a model that combines wavelet transforms (WT) and stacked autoencoders (SAEs). In addition, we compare the performances of model with two different forecast targets of stock price: absolute stock price and price rate of change. The results show that predicting stock price through price rate of change is better than predicting absolute prices directly.

In this paper, we propose a general deep learning training framework XGrad which introduces weight prediction into the popular gradient-based optimizers to boost their convergence and generalization when training the deep neural network (DNN) models. In particular, ahead of each mini-batch training, the future weights are predicted according to the update rule of the used optimizer and are then applied to both the forward pass and backward propagation. In this way, during the whole training period, the optimizer always utilizes the gradients w.r.t. the future weights to update the DNN parameters, making the gradient-based optimizer achieve better convergence and generalization compared to the original optimizer without weight prediction. XGrad is rather straightforward to implement yet pretty effective in boosting the convergence of gradient-based optimizers and the accuracy of DNN models. Empirical results concerning the most three popular gradient-based optimizers including SGD with momentum, Adam, and AdamW demonstrate the effectiveness of our proposal. The experimental results validate that XGrad can attain higher model accuracy than the original optimizers when training the DNN models. The code of XGrad will be available at: https://github.com/guanleics/XGrad.

In this work, we present a novel physics-based data-driven framework for reduced-order modeling of laser ignition in a model rocket combustor based on parameterized neural ordinary differential equations (PNODE). Deep neural networks are embedded as functions of high-dimensional parameters of laser ignition to predict various terms in a 0D flow model including the heat source function, pre-exponential factors, and activation energy. Using the governing equations of a 0D flow model, our PNODE needs only a limited number of training samples and predicts trajectories of various quantities such as temperature, pressure, and mass fractions of species while satisfying physical constraints. We validate our physics-based PNODE on solution snapshots of high-fidelity Computational Fluid Dynamics (CFD) simulations of laser-induced ignition in a prototype rocket combustor. We compare the performance of our physics-based PNODE with that of kernel ridge regression and fully connected neural networks. Our results show that our physics-based PNODE provides solutions with lower mean absolute errors of average temperature over time, thus improving the prediction of successful laser ignition with high-dimensional parameters.

Knowledge graph (KG) link prediction aims to infer new facts based on existing facts in the KG. Recent studies have shown that using the graph neighborhood of a node via graph neural networks (GNNs) provides more useful information compared to just using the query information. Conventional GNNs for KG link prediction follow the standard message-passing paradigm on the entire KG, which leads to superfluous computation, over-smoothing of node representations, and also limits their expressive power. On a large scale, it becomes computationally expensive to aggregate useful information from the entire KG for inference. To address the limitations of existing KG link prediction frameworks, we propose a novel retrieve-and-read framework, which first retrieves a relevant subgraph context for the query and then jointly reasons over the context and the query with a high-capacity reader. As part of our exemplar instantiation for the new framework, we propose a novel Transformer-based GNN as the reader, which incorporates graph-based attention structure and cross-attention between query and context for deep fusion. This simple yet effective design enables the model to focus on salient context information relevant to the query. Empirical results on two standard KG link prediction datasets demonstrate the competitive performance of the proposed method. Furthermore, our analysis yields valuable insights for designing improved retrievers within the framework.

Effective traffic prediction is a cornerstone of intelligent transportation systems, enabling precise forecasts of traffic flow, speed, and congestion. While traditional spatio-temporal graph neural networks (ST-GNNs) have achieved notable success in short-term traffic forecasting, their performance in long-term predictions remains limited. This challenge arises from over-squashing problem, where bottlenecks and limited receptive fields restrict information flow and hinder the modeling of global dependencies. To address these challenges, this study introduces a novel framework that incorporates virtual nodes, which are additional nodes added to the graph and connected to existing nodes, in order to aggregate information across the entire graph within a single GNN layer. Our proposed model incorporates virtual nodes by constructing a semi-adaptive adjacency matrix. This matrix integrates distance-based and adaptive adjacency matrices, allowing the model to leverage geographical information while also learning task-specific features from data. Experimental results demonstrate that the inclusion of virtual nodes significantly enhances long-term prediction accuracy while also improving layer-wise sensitivity to mitigate the over-squashing problem. Virtual nodes also offer enhanced explainability by focusing on key intersections and high-traffic areas, as shown by the visualization of their adjacency matrix weights on road network heat maps. Our advanced approach enhances the understanding and management of urban traffic systems, making it particularly well-suited for real-world applications.

Transformer neural operators have recently become an effective approach for surrogate modeling of systems governed by partial differential equations (PDEs). In this paper, we introduce a modified implicit factorized transformer (IFactFormer-m) model which replaces the original chained factorized attention with parallel factorized attention. The IFactFormer-m model successfully performs long-term predictions for turbulent channel flow, whereas the original IFactFormer (IFactFormer-o), Fourier neural operator (FNO), and implicit Fourier neural operator (IFNO) exhibit a poor performance. Turbulent channel flows are simulated by direct numerical simulation using fine grids at friction Reynolds numbers Re_{tau}approx 180,395,590, and filtered to coarse grids for training neural operator. The neural operator takes the current flow field as input and predicts the flow field at the next time step, and long-term prediction is achieved in the posterior through an autoregressive approach. The results show that IFactFormer-m, compared to other neural operators and the traditional large eddy simulation (LES) methods including dynamic Smagorinsky model (DSM) and the wall-adapted local eddy-viscosity (WALE) model, reduces prediction errors in the short term, and achieves stable and accurate long-term prediction of various statistical properties and flow structures, including the energy spectrum, mean streamwise velocity, root mean square (rms) values of fluctuating velocities, Reynolds shear stress, and spatial structures of instantaneous velocity. Moreover, the trained IFactFormer-m is much faster than traditional LES methods. By analyzing the attention kernels, we elucidate the reasons why IFactFormer-m converges faster and achieves a stable and accurate long-term prediction compared to IFactFormer-o. Code and data are available at: https://github.com/huiyu-2002/IFactFormer-m.

We introduce KALL-E, a novel autoregressive (AR) language modeling approach with next-distribution prediction for text-to-speech (TTS) synthesis. Unlike existing methods, KALL-E directly models and predicts the continuous speech distribution conditioned on text without relying on VAE- or diffusion-based components. Specifically, we use WaveVAE to extract continuous speech distributions from waveforms instead of using discrete speech tokens. A single AR language model predicts these continuous speech distributions from text, with a Kullback-Leibler divergence loss as the constraint. Experimental results show that KALL-E outperforms open-source implementations of YourTTS, VALL-E, NaturalSpeech 2, and CosyVoice in terms of naturalness and speaker similarity in zero-shot TTS scenarios. Moreover, KALL-E demonstrates exceptional zero-shot capabilities in emotion and accent cloning. Importantly, KALL-E presents a more straightforward and effective paradigm for using continuous speech representations in TTS. Audio samples are available at: https://zxf-icpc.github.io/kalle/.

Vulnerability prediction is valuable in identifying security issues more efficiently, even though it requires the source code of the target software system, which is a restrictive hypothesis. This paper presents an experimental study to predict vulnerabilities in binary code without source code or complex representations of the binary, leveraging the pivotal idea of decompiling the binary file through neural decompilation and predicting vulnerabilities through deep learning on the decompiled source code. The results outperform the state-of-the-art in both neural decompilation and vulnerability prediction, showing that it is possible to identify vulnerable programs with this approach concerning bi-class (vulnerable/non-vulnerable) and multi-class (type of vulnerability) analysis.

Volatility forecasting is essential for risk management and decision-making in financial markets. Traditional models like Generalized Autoregressive Conditional Heteroskedasticity (GARCH) effectively capture volatility clustering but often fail to model complex, non-linear interdependencies between multiple indices. This paper proposes a novel approach using Graph Neural Networks (GNNs) to represent global financial markets as dynamic graphs. The Temporal Graph Attention Network (Temporal GAT) combines Graph Convolutional Networks (GCNs) and Graph Attention Networks (GATs) to capture the temporal and structural dynamics of volatility spillovers. By utilizing correlation-based and volatility spillover indices, the Temporal GAT constructs directed graphs that enhance the accuracy of volatility predictions. Empirical results from a 15-year study of eight major global indices show that the Temporal GAT outperforms traditional GARCH models and other machine learning methods, particularly in short- to mid-term forecasts. The sensitivity and scenario-based analysis over a range of parameters and hyperparameters further demonstrate the significance of the proposed technique. Hence, this work highlights the potential of GNNs in modeling complex market behaviors, providing valuable insights for financial analysts and investors.

Healthcare monitoring is crucial for early detection, timely intervention, and the ongoing management of health conditions, ultimately improving individuals' quality of life. Recent research shows that Large Language Models (LLMs) have demonstrated impressive performance in supporting healthcare tasks. However, existing LLM-based healthcare solutions typically rely on cloud-based systems, which raise privacy concerns and increase the risk of personal information leakage. As a result, there is growing interest in running these models locally on devices like mobile phones and wearables to protect users' privacy. Small Language Models (SLMs) are potential candidates to solve privacy and computational issues, as they are more efficient and better suited for local deployment. However, the performance of SLMs in healthcare domains has not yet been investigated. This paper examines the capability of SLMs to accurately analyze health data, such as steps, calories, sleep minutes, and other vital statistics, to assess an individual's health status. Our results show that, TinyLlama, which has 1.1 billion parameters, utilizes 4.31 GB memory, and has 0.48s latency, showing the best performance compared other four state-of-the-art (SOTA) SLMs on various healthcare applications. Our results indicate that SLMs could potentially be deployed on wearable or mobile devices for real-time health monitoring, providing a practical solution for efficient and privacy-preserving healthcare.

Vulnerabilities related to option combinations pose a significant challenge in software security testing due to their vast search space. Previous research primarily addressed this challenge through mutation or filtering techniques, which inefficiently treated all option combinations as having equal potential for vulnerabilities, thus wasting considerable time on non-vulnerable targets and resulting in low testing efficiency. In this paper, we utilize carefully designed prompt engineering to drive the large language model (LLM) to predict high-risk option combinations (i.e., more likely to contain vulnerabilities) and perform fuzz testing automatically without human intervention. We developed a tool called ProphetFuzz and evaluated it on a dataset comprising 52 programs collected from three related studies. The entire experiment consumed 10.44 CPU years. ProphetFuzz successfully predicted 1748 high-risk option combinations at an average cost of only \$8.69 per program. Results show that after 72 hours of fuzzing, ProphetFuzz discovered 364 unique vulnerabilities associated with 12.30\% of the predicted high-risk option combinations, which was 32.85\% higher than that found by state-of-the-art in the same timeframe. Additionally, using ProphetFuzz, we conducted persistent fuzzing on the latest versions of these programs, uncovering 140 vulnerabilities, with 93 confirmed by developers and 21 awarded CVE numbers.

This study explores the potential of open-source video conditional generation models as encoders for downstream tasks, focusing on instance segmentation using the BAIR Robot Pushing Dataset. The researchers propose using video prediction models as general visual encoders, leveraging their ability to capture critical spatial and temporal information which is essential for tasks such as instance segmentation. Inspired by human vision studies, particularly Gestalts principle of common fate, the approach aims to develop a latent space representative of motion from images to effectively discern foreground from background information. The researchers utilize a 3D Vector-Quantized Variational Autoencoder 3D VQVAE video generative encoder model conditioned on an input frame, coupled with downstream segmentation tasks. Experiments involve adapting pre-trained video generative models, analyzing their latent spaces, and training custom decoders for foreground-background segmentation. The findings demonstrate promising results in leveraging generative pretext learning for downstream tasks, working towards enhanced scene analysis and segmentation in computer vision applications.

Code-mixed discourse combines multiple languages in a single text. It is commonly used in informal discourse in countries with several official languages, but also in many other countries in combination with English or neighboring languages. As recently large language models have dominated most natural language processing tasks, we investigated their performance in code-mixed settings for relevant tasks. We first created four new bilingual pre-trained masked language models for English-Hindi and English-Slovene languages, specifically aimed to support informal language. Then we performed an evaluation of monolingual, bilingual, few-lingual, and massively multilingual models on several languages, using two tasks that frequently contain code-mixed text, in particular, sentiment analysis and offensive language detection in social media texts. The results show that the most successful classifiers are fine-tuned bilingual models and multilingual models, specialized for social media texts, followed by non-specialized massively multilingual and monolingual models, while huge generative models are not competitive. For our affective problems, the models mostly perform slightly better on code-mixed data compared to non-code-mixed data.

Recent advancements in sequence prediction have significantly improved the accuracy of video data interpretation; however, existing models often overlook the potential of attention-based mechanisms for next-frame prediction. This study introduces the Vision Augmentation Prediction Autoencoder with Attention Design (VAPAAD), an innovative approach that integrates attention mechanisms into sequence prediction, enabling nuanced analysis and understanding of temporal dynamics in video sequences. Utilizing the Moving MNIST dataset, we demonstrate VAPAAD's robust performance and superior handling of complex temporal data compared to traditional methods. VAPAAD combines data augmentation, ConvLSTM2D layers, and a custom-built self-attention mechanism to effectively focus on salient features within a sequence, enhancing predictive accuracy and context-aware analysis. This methodology not only adheres to human cognitive processes during video interpretation but also addresses limitations in conventional models, which often struggle with the variability inherent in video sequences. The experimental results confirm that VAPAAD outperforms existing models, especially in integrating attention mechanisms, which significantly improve predictive performance.

This paper introduces VLAP, a novel approach that bridges pretrained vision models and large language models (LLMs) to make frozen LLMs understand the visual world. VLAP transforms the embedding space of pretrained vision models into the LLMs' word embedding space using a single linear layer for efficient and general-purpose visual and language understanding. Specifically, we harness well-established word embeddings to bridge two modality embedding spaces. The visual and text representations are simultaneously assigned to a set of word embeddings within pretrained LLMs by formulating the assigning procedure as an optimal transport problem. We predict the assignment of one modality from the representation of another modality data, enforcing consistent assignments for paired multimodal data. This allows vision and language representations to contain the same information, grounding the frozen LLMs' word embedding space in visual data. Moreover, a robust semantic taxonomy of LLMs can be preserved with visual data since the LLMs interpret and reason linguistic information from correlations between word embeddings. Experimental results show that VLAP achieves substantial improvements over the previous linear transformation-based approaches across a range of vision-language tasks, including image captioning, visual question answering, and cross-modal retrieval. We also demonstrate the learned visual representations hold a semantic taxonomy of LLMs, making visual semantic arithmetic possible.

Human forecasting accuracy in practice relies on the 'wisdom of the crowd' effect, in which predictions about future events are significantly improved by aggregating across a crowd of individual forecasters. Past work on the forecasting ability of large language models (LLMs) suggests that frontier LLMs, as individual forecasters, underperform compared to the gold standard of a human crowd forecasting tournament aggregate. In Study 1, we expand this research by using an LLM ensemble approach consisting of a crowd of twelve LLMs. We compare the aggregated LLM predictions on 31 binary questions to that of a crowd of 925 human forecasters from a three-month forecasting tournament. Our main analysis shows that the LLM crowd outperforms a simple no-information benchmark and is statistically equivalent to the human crowd. We also observe an acquiescence effect, with mean model predictions being significantly above 50%, despite an almost even split of positive and negative resolutions. Moreover, in Study 2, we test whether LLM predictions (of GPT-4 and Claude 2) can be improved by drawing on human cognitive output. We find that both models' forecasting accuracy benefits from exposure to the median human prediction as information, improving accuracy by between 17% and 28%: though this leads to less accurate predictions than simply averaging human and machine forecasts. Our results suggest that LLMs can achieve forecasting accuracy rivaling that of human crowd forecasting tournaments: via the simple, practically applicable method of forecast aggregation. This replicates the 'wisdom of the crowd' effect for LLMs, and opens up their use for a variety applications throughout society.

Existing methods, such as concept bottleneck models (CBMs), have been successful in providing concept-based interpretations for black-box deep learning models. They typically work by predicting concepts given the input and then predicting the final class label given the predicted concepts. However, (1) they often fail to capture the high-order, nonlinear interaction between concepts, e.g., correcting a predicted concept (e.g., "yellow breast") does not help correct highly correlated concepts (e.g., "yellow belly"), leading to suboptimal final accuracy; (2) they cannot naturally quantify the complex conditional dependencies between different concepts and class labels (e.g., for an image with the class label "Kentucky Warbler" and a concept "black bill", what is the probability that the model correctly predicts another concept "black crown"), therefore failing to provide deeper insight into how a black-box model works. In response to these limitations, we propose Energy-based Concept Bottleneck Models (ECBMs). Our ECBMs use a set of neural networks to define the joint energy of candidate (input, concept, class) tuples. With such a unified interface, prediction, concept correction, and conditional dependency quantification are then represented as conditional probabilities, which are generated by composing different energy functions. Our ECBMs address both limitations of existing CBMs, providing higher accuracy and richer concept interpretations. Empirical results show that our approach outperforms the state-of-the-art on real-world datasets.

Modern Code Review (MCR) is an informal tool-assisted quality assurance practice. It relies on the asynchronous communication among the authors of code changes and reviewers, who are developers that provide feedback. However, from candidate developers, some are able to provide better feedback than others given a particular context. The selection of reviewers is thus an important task, which can benefit from automated support. Many approaches have been proposed in this direction, using for example data from code review repositories to recommend reviewers. In this paper, we propose the use of team-related features to improve the performance of predictions that are helpful to build code reviewer recommenders, with our target predictions being the identification of reviewers that would participate in a review and the provided amount of feedback. We evaluate the prediction power of these features, which are related to code ownership, workload, and team relationship. This evaluation was done by carefully addressing challenges imposed by the MCR domain, such as temporal aspects of the dataset and unbalanced classes. Moreover, given that it is currently unknown how much past data is needed for building MCR prediction models with acceptable performance, we explore the amount of past data used to build prediction models. Our results show that, individually, features related to code ownership have the best prediction power. However, based on feature selection, we conclude that all proposed features together with lines of code can make the best predictions for both reviewer participation and amount of feedback. Regarding the amount of past data, the timeframes of 3, 6, 9, and 12 months of data produce similar results. Therefore, models can be trained considering short timeframes, thus reducing the computational costs with negligible impact in the prediction performance ...

Prediction of stock prices plays a significant role in aiding the decision-making of investors. Considering its importance, a growing literature has emerged trying to forecast stock prices with improved accuracy. In this study, we introduce an innovative approach for forecasting stock prices with greater accuracy. We incorporate external economic environment-related information along with stock prices. In our novel approach, we improve the performance of stock price prediction by taking into account variations due to future expected macroeconomic policy changes as investors adjust their current behavior ahead of time based on expected future macroeconomic policy changes. Furthermore, we incorporate macroeconomic variables along with historical stock prices to make predictions. Results from this strongly support the inclusion of future economic policy changes along with current macroeconomic information. We confirm the supremacy of our method over the conventional approach using several tree-based machine-learning algorithms. Results are strongly conclusive across various machine learning models. Our preferred model outperforms the conventional approach with an RMSE value of 1.61 compared to an RMSE value of 1.75 from the conventional approach.

PURPOSE: Subarachnoid hemorrhage (SAH) entails high morbidity and mortality rates. Convolutional neural networks (CNN), a form of deep learning, are capable of generating highly accurate predictions from imaging data. Our objective was to predict mortality in SAH patients by processing the initial CT scan on a CNN based algorithm. METHODS: Retrospective multicentric study of a consecutive cohort of patients with SAH between 2011-2022. Demographic, clinical and radiological variables were analyzed. Pre-processed baseline CT scan images were used as the input for training a CNN using AUCMEDI Framework. Our model's architecture leverages the DenseNet-121 structure, employing transfer learning principles. The output variable was mortality in the first three months. Performance of the model was evaluated by statistical parameters conventionally used in studies involving artificial intelligence methods. RESULTS: Images from 219 patients were processed, 175 for training and validation of the CNN and 44 for its evaluation. 52%(115/219) of patients were female, and the median age was 58(SD=13.06) years. 18.5%(39/219) were idiopathic SAH. Mortality rate was 28.5%(63/219). The model showed good accuracy at predicting mortality in SAH patients exclusively using the images of the initial CT scan (Accuracy=74%, F1=75% and AUC=82%). CONCLUSION: Modern image processing techniques based on AI and CNN make possible to predict mortality in SAH patients with high accuracy using CT scan images as the only input. These models might be optimized by including more data and patients resulting in better training, development and performance on tasks which are beyond the skills of conventional clinical knowledge.

Imagining the future trajectory is the key for robots to make sound planning and successfully reach their goals. Therefore, text-conditioned video prediction (TVP) is an essential task to facilitate general robot policy learning. To tackle this task and empower robots with the ability to foresee the future, we propose a sample and computation-efficient model, named Seer, by inflating the pretrained text-to-image (T2I) stable diffusion models along the temporal axis. We enhance the U-Net and language conditioning model by incorporating computation-efficient spatial-temporal attention. Furthermore, we introduce a novel Frame Sequential Text Decomposer module that dissects a sentence's global instruction into temporally aligned sub-instructions, ensuring precise integration into each frame of generation. Our framework allows us to effectively leverage the extensive prior knowledge embedded in pretrained T2I models across the frames. With the adaptable-designed architecture, Seer makes it possible to generate high-fidelity, coherent, and instruction-aligned video frames by fine-tuning a few layers on a small amount of data. The experimental results on Something Something V2 (SSv2), Bridgedata and EpicKitchens-100 datasets demonstrate our superior video prediction performance with around 480-GPU hours versus CogVideo with over 12,480-GPU hours: achieving the 31% FVD improvement compared to the current SOTA model on SSv2 and 83.7% average preference in the human evaluation.

Learning to predict agent motions with relationship reasoning is important for many applications. In motion prediction tasks, maintaining motion equivariance under Euclidean geometric transformations and invariance of agent interaction is a critical and fundamental principle. However, such equivariance and invariance properties are overlooked by most existing methods. To fill this gap, we propose EqMotion, an efficient equivariant motion prediction model with invariant interaction reasoning. To achieve motion equivariance, we propose an equivariant geometric feature learning module to learn a Euclidean transformable feature through dedicated designs of equivariant operations. To reason agent's interactions, we propose an invariant interaction reasoning module to achieve a more stable interaction modeling. To further promote more comprehensive motion features, we propose an invariant pattern feature learning module to learn an invariant pattern feature, which cooperates with the equivariant geometric feature to enhance network expressiveness. We conduct experiments for the proposed model on four distinct scenarios: particle dynamics, molecule dynamics, human skeleton motion prediction and pedestrian trajectory prediction. Experimental results show that our method is not only generally applicable, but also achieves state-of-the-art prediction performances on all the four tasks, improving by 24.0/30.1/8.6/9.2%. Code is available at https://github.com/MediaBrain-SJTU/EqMotion.

When applying automated speech recognition (ASR) for Belgian Dutch (Van Dyck et al. 2021), the output consists of an unsegmented stream of words, without any punctuation. A next step is to perform segmentation and insert punctuation, making the ASR output more readable and easy to manually correct. As far as we know there is no publicly available punctuation insertion system for Dutch that functions at a usable level. The model we present here is an extension of the models of Guhr et al. (2021) for Dutch and is made publicly available. We trained a sequence classification model, based on the Dutch language model RobBERT (Delobelle et al. 2020). For every word in the input sequence, the models predicts a punctuation marker that follows the word. We have also extended a multilingual model, for cases where the language is unknown or where code switching applies. When performing the task of segmentation, the application of the best models onto out of domain test data, a sliding window of 200 words of the ASR output stream is sent to the classifier, and segmentation is applied when the system predicts a segmenting punctuation sign with a ratio above threshold. Results show to be much better than a machine translation baseline approach.

Being able to provide explanations for a model's decision has become a central requirement for the development, deployment, and adoption of machine learning models. However, we are yet to understand what explanation methods can and cannot do. How do upstream factors such as data, model prediction, hyperparameters, and random initialization influence downstream explanations? While previous work raised concerns that explanations (E) may have little relationship with the prediction (Y), there is a lack of conclusive study to quantify this relationship. Our work borrows tools from causal inference to systematically assay this relationship. More specifically, we study the relationship between E and Y by measuring the treatment effect when intervening on their causal ancestors, i.e., on hyperparameters and inputs used to generate saliency-based Es or Ys. Our results suggest that the relationships between E and Y is far from ideal. In fact, the gap between 'ideal' case only increase in higher-performing models -- models that are likely to be deployed. Our work is a promising first step towards providing a quantitative measure of the relationship between E and Y, which could also inform the future development of methods for E with a quantitative metric.

Legal Prompt Engineering (LPE) or Legal Prompting is a process to guide and assist a large language model (LLM) with performing a natural legal language processing (NLLP) skill. Our goal is to use LPE with LLMs over long legal documents for the Legal Judgement Prediction (LJP) task. We investigate the performance of zero-shot LPE for given facts in case-texts from the European Court of Human Rights (in English) and the Federal Supreme Court of Switzerland (in German, French and Italian). Our results show that zero-shot LPE is better compared to the baselines, but it still falls short compared to current state of the art supervised approaches. Nevertheless, the results are important, since there was 1) no explicit domain-specific data used - so we show that the transfer to the legal domain is possible for general-purpose LLMs, and 2) the LLMs where directly applied without any further training or fine-tuning - which in turn saves immensely in terms of additional computational costs.

Vision transformers have recently achieved competitive results across various vision tasks but still suffer from heavy computation costs when processing a large number of tokens. Many advanced approaches have been developed to reduce the total number of tokens in large-scale vision transformers, especially for image classification tasks. Typically, they select a small group of essential tokens according to their relevance with the class token, then fine-tune the weights of the vision transformer. Such fine-tuning is less practical for dense prediction due to the much heavier computation and GPU memory cost than image classification. In this paper, we focus on a more challenging problem, i.e., accelerating large-scale vision transformers for dense prediction without any additional re-training or fine-tuning. In response to the fact that high-resolution representations are necessary for dense prediction, we present two non-parametric operators, a token clustering layer to decrease the number of tokens and a token reconstruction layer to increase the number of tokens. The following steps are performed to achieve this: (i) we use the token clustering layer to cluster the neighboring tokens together, resulting in low-resolution representations that maintain the spatial structures; (ii) we apply the following transformer layers only to these low-resolution representations or clustered tokens; and (iii) we use the token reconstruction layer to re-create the high-resolution representations from the refined low-resolution representations. The results obtained by our method are promising on five dense prediction tasks, including object detection, semantic segmentation, panoptic segmentation, instance segmentation, and depth estimation.

Accurate uncertainty estimates are essential for deploying deep object detectors in safety-critical systems. The development and evaluation of probabilistic object detectors have been hindered by shortcomings in existing performance measures, which tend to involve arbitrary thresholds or limit the detector's choice of distributions. In this work, we propose to view object detection as a set prediction task where detectors predict the distribution over the set of objects. Using the negative log-likelihood for random finite sets, we present a proper scoring rule for evaluating and training probabilistic object detectors. The proposed method can be applied to existing probabilistic detectors, is free from thresholds, and enables fair comparison between architectures. Three different types of detectors are evaluated on the COCO dataset. Our results indicate that the training of existing detectors is optimized toward non-probabilistic metrics. We hope to encourage the development of new object detectors that can accurately estimate their own uncertainty. Code available at https://github.com/georghess/pmb-nll.

Developing an accurate tourism forecasting model is essential for making desirable policy decisions for tourism management. Early studies on tourism management focus on discovering external factors related to tourism demand. Recent studies utilize deep learning in demand forecasting along with these external factors. They mainly use recursive neural network models such as LSTM and RNN for their frameworks. However, these models are not suitable for use in forecasting tourism demand. This is because tourism demand is strongly affected by changes in various external factors, and recursive neural network models have limitations in handling these multivariate inputs. We propose a multi-head attention CNN model (MHAC) for addressing these limitations. The MHAC uses 1D-convolutional neural network to analyze temporal patterns and the attention mechanism to reflect correlations between input variables. This model makes it possible to extract spatiotemporal characteristics from time-series data of various variables. We apply our forecasting framework to predict inbound tourist changes in South Korea by considering external factors such as politics, disease, season, and attraction of Korean culture. The performance results of extensive experiments show that our method outperforms other deep-learning-based prediction frameworks in South Korea tourism forecasting.

Machine learning models in health care are often deployed in settings where it is important to protect patient privacy. In such settings, methods for differentially private (DP) learning provide a general-purpose approach to learn models with privacy guarantees. Modern methods for DP learning ensure privacy through mechanisms that censor information judged as too unique. The resulting privacy-preserving models, therefore, neglect information from the tails of a data distribution, resulting in a loss of accuracy that can disproportionately affect small groups. In this paper, we study the effects of DP learning in health care. We use state-of-the-art methods for DP learning to train privacy-preserving models in clinical prediction tasks, including x-ray classification of images and mortality prediction in time series data. We use these models to perform a comprehensive empirical investigation of the tradeoffs between privacy, utility, robustness to dataset shift, and fairness. Our results highlight lesser-known limitations of methods for DP learning in health care, models that exhibit steep tradeoffs between privacy and utility, and models whose predictions are disproportionately influenced by large demographic groups in the training data. We discuss the costs and benefits of differentially private learning in health care.

Pretrained contextualized embeddings are powerful word representations for structured prediction tasks. Recent work found that better word representations can be obtained by concatenating different types of embeddings. However, the selection of embeddings to form the best concatenated representation usually varies depending on the task and the collection of candidate embeddings, and the ever-increasing number of embedding types makes it a more difficult problem. In this paper, we propose Automated Concatenation of Embeddings (ACE) to automate the process of finding better concatenations of embeddings for structured prediction tasks, based on a formulation inspired by recent progress on neural architecture search. Specifically, a controller alternately samples a concatenation of embeddings, according to its current belief of the effectiveness of individual embedding types in consideration for a task, and updates the belief based on a reward. We follow strategies in reinforcement learning to optimize the parameters of the controller and compute the reward based on the accuracy of a task model, which is fed with the sampled concatenation as input and trained on a task dataset. Empirical results on 6 tasks and 21 datasets show that our approach outperforms strong baselines and achieves state-of-the-art performance with fine-tuned embeddings in all the evaluations.

Prediction of future movement of stock prices has always been a challenging task for the researchers. While the advocates of the efficient market hypothesis (EMH) believe that it is impossible to design any predictive framework that can accurately predict the movement of stock prices, there are seminal work in the literature that have clearly demonstrated that the seemingly random movement patterns in the time series of a stock price can be predicted with a high level of accuracy. Design of such predictive models requires choice of appropriate variables, right transformation methods of the variables, and tuning of the parameters of the models. In this work, we present a very robust and accurate framework of stock price prediction that consists of an agglomeration of statistical, machine learning and deep learning models. We use the daily stock price data, collected at five minutes interval of time, of a very well known company that is listed in the National Stock Exchange (NSE) of India. The granular data is aggregated into three slots in a day, and the aggregated data is used for building and training the forecasting models. We contend that the agglomerative approach of model building that uses a combination of statistical, machine learning, and deep learning approaches, can very effectively learn from the volatile and random movement patterns in a stock price data. We build eight classification and eight regression models based on statistical and machine learning approaches. In addition to these models, a deep learning regression model using a long-and-short-term memory (LSTM) network is also built. Extensive results have been presented on the performance of these models, and the results are critically analyzed.

Predicting not only the target but also an accurate measure of uncertainty is important for many machine learning applications and in particular safety-critical ones. In this work we study the calibration of uncertainty prediction for regression tasks which often arise in real-world systems. We show that the existing definition for calibration of a regression uncertainty [Kuleshov et al. 2018] has severe limitations in distinguishing informative from non-informative uncertainty predictions. We propose a new definition that escapes this caveat and an evaluation method using a simple histogram-based approach. Our method clusters examples with similar uncertainty prediction and compares the prediction with the empirical uncertainty on these examples. We also propose a simple, scaling-based calibration method that preforms as well as much more complex ones. We show results on both a synthetic, controlled problem and on the object detection bounding-box regression task using the COCO and KITTI datasets.

We present Visual AutoRegressive modeling (VAR), a new generation paradigm that redefines the autoregressive learning on images as coarse-to-fine "next-scale prediction" or "next-resolution prediction", diverging from the standard raster-scan "next-token prediction". This simple, intuitive methodology allows autoregressive (AR) transformers to learn visual distributions fast and generalize well: VAR, for the first time, makes AR models surpass diffusion transformers in image generation. On ImageNet 256x256 benchmark, VAR significantly improve AR baseline by improving Frechet inception distance (FID) from 18.65 to 1.80, inception score (IS) from 80.4 to 356.4, with around 20x faster inference speed. It is also empirically verified that VAR outperforms the Diffusion Transformer (DiT) in multiple dimensions including image quality, inference speed, data efficiency, and scalability. Scaling up VAR models exhibits clear power-law scaling laws similar to those observed in LLMs, with linear correlation coefficients near -0.998 as solid evidence. VAR further showcases zero-shot generalization ability in downstream tasks including image in-painting, out-painting, and editing. These results suggest VAR has initially emulated the two important properties of LLMs: Scaling Laws and zero-shot task generalization. We have released all models and codes to promote the exploration of AR/VAR models for visual generation and unified learning.

Reasoning is a fundamental capability of Large Language Models. While prior research predominantly focuses on enhancing narrow skills like math or code generation, improving performance on many other reasoning tasks remains challenging due to sparse and fragmented training data. To address this issue, we propose CodeI/O, a novel approach that systematically condenses diverse reasoning patterns inherently embedded in contextually-grounded codes, through transforming the original code into a code input-output prediction format. By training models to predict inputs/outputs given code and test cases entirely in natural language as Chain-of-Thought (CoT) rationales, we expose them to universal reasoning primitives -- like logic flow planning, state-space searching, decision tree traversal, and modular decomposition -- while decoupling structured reasoning from code-specific syntax and preserving procedural rigor. Experimental results demonstrate CodeI/O leads to consistent improvements across symbolic, scientific, logic, math & numerical, and commonsense reasoning tasks. By matching the existing ground-truth outputs or re-executing the code with predicted inputs, we can verify each prediction and further enhance the CoTs through multi-turn revision, resulting in CodeI/O++ and achieving higher performance. Our data and models are available at https://github.com/hkust-nlp/CodeIO.

Text injection for automatic speech recognition (ASR), wherein unpaired text-only data is used to supplement paired audio-text data, has shown promising improvements for word error rate. This study examines the use of text injection for auxiliary tasks, which are the non-ASR tasks often performed by an E2E model. In this work, we use joint end-to-end and internal language model training (JEIT) as our text injection algorithm to train an ASR model which performs two auxiliary tasks. The first is capitalization, which is a de-normalization task. The second is turn-taking prediction, which attempts to identify whether a user has completed their conversation turn in a digital assistant interaction. We show results demonstrating that our text injection method boosts capitalization performance for long-tail data, and improves turn-taking detection recall.

Advances in large language models (LLMs) have empowered a variety of applications. However, there is still a significant gap in research when it comes to understanding and enhancing the capabilities of LLMs in the field of mental health. In this work, we present the first comprehensive evaluation of multiple LLMs, including Alpaca, Alpaca-LoRA, FLAN-T5, GPT-3.5, and GPT-4, on various mental health prediction tasks via online text data. We conduct a broad range of experiments, covering zero-shot prompting, few-shot prompting, and instruction fine-tuning. The results indicate a promising yet limited performance of LLMs with zero-shot and few-shot prompt designs for the mental health tasks. More importantly, our experiments show that instruction finetuning can significantly boost the performance of LLMs for all tasks simultaneously. Our best-finetuned models, Mental-Alpaca and Mental-FLAN-T5, outperform the best prompt design of GPT-3.5 (25 and 15 times bigger) by 10.9% on balanced accuracy and the best of GPT-4 (250 and 150 times bigger) by 4.8%. They further perform on par with the state-of-the-art task-specific language model. We also conduct an exploratory case study on LLMs' capability on the mental health reasoning tasks, illustrating the promising capability of certain models such as GPT-4. We summarize our findings into a set of action guidelines for potential methods to enhance LLMs' capability for mental health tasks. Meanwhile, we also emphasize the important limitations before achieving deployability in real-world mental health settings, such as known racial and gender bias. We highlight the important ethical risks accompanying this line of research.

Data of sequential nature arise in many application domains in forms of, e.g. textual data, DNA sequences, and software execution traces. Different research disciplines have developed methods to learn sequence models from such datasets: (i) in the machine learning field methods such as (hidden) Markov models and recurrent neural networks have been developed and successfully applied to a wide-range of tasks, (ii) in process mining process discovery techniques aim to generate human-interpretable descriptive models, and (iii) in the grammar inference field the focus is on finding descriptive models in the form of formal grammars. Despite their different focuses, these fields share a common goal - learning a model that accurately describes the behavior in the underlying data. Those sequence models are generative, i.e, they can predict what elements are likely to occur after a given unfinished sequence. So far, these fields have developed mainly in isolation from each other and no comparison exists. This paper presents an interdisciplinary experimental evaluation that compares sequence modeling techniques on the task of next-element prediction on four real-life sequence datasets. The results indicate that machine learning techniques that generally have no aim at interpretability in terms of accuracy outperform techniques from the process mining and grammar inference fields that aim to yield interpretable models.

Matbench Discovery simulates the deployment of machine learning (ML) energy models in a high-throughput search for stable inorganic crystals. We address the disconnect between (i) thermodynamic stability and formation energy and (ii) in-domain vs out-of-distribution performance. Alongside this paper, we publish a Python package to aid with future model submissions and a growing online leaderboard with further insights into trade-offs between various performance metrics. To answer the question which ML methodology performs best at materials discovery, our initial release explores a variety of models including random forests, graph neural networks (GNN), one-shot predictors, iterative Bayesian optimizers and universal interatomic potentials (UIP). Ranked best-to-worst by their test set F1 score on thermodynamic stability prediction, we find CHGNet > M3GNet > MACE > ALIGNN > MEGNet > CGCNN > CGCNN+P > Wrenformer > BOWSR > Voronoi tessellation fingerprints with random forest. The top 3 models are UIPs, the winning methodology for ML-guided materials discovery, achieving F1 scores of ~0.6 for crystal stability classification and discovery acceleration factors (DAF) of up to 5x on the first 10k most stable predictions compared to dummy selection from our test set. We also highlight a sharp disconnect between commonly used global regression metrics and more task-relevant classification metrics. Accurate regressors are susceptible to unexpectedly high false-positive rates if those accurate predictions lie close to the decision boundary at 0 eV/atom above the convex hull where most materials are. Our results highlight the need to focus on classification metrics that actually correlate with improved stability hit rate.

Graph autoencoders are efficient at embedding graph-based data sets. Most graph autoencoder architectures have shallow depths which limits their ability to capture meaningful relations between nodes separated by multi-hops. In this paper, we propose Residual Variational Graph Autoencoder, ResVGAE, a deep variational graph autoencoder model with multiple residual modules. We show that our multiple residual modules, a convolutional layer with residual connection, improve the average precision of the graph autoencoders. Experimental results suggest that our proposed model with residual modules outperforms the models without residual modules and achieves similar results when compared with other state-of-the-art methods.

Clinical diagnosis prediction models, when provided with a patient's medical history, aim to detect potential diseases early, facilitating timely intervention and improving prognostic outcomes. However, the inherent scarcity of patient data and large disease candidate space often pose challenges in developing satisfactory models for this intricate task. The exploration of leveraging Large Language Models (LLMs) for encapsulating clinical decision processes has been limited. We introduce MERA, a clinical diagnosis prediction model that bridges pertaining natural language knowledge with medical practice. We apply hierarchical contrastive learning on a disease candidate ranking list to alleviate the large decision space issue. With concept memorization through fine-tuning, we bridge the natural language clinical knowledge with medical codes. Experimental results on MIMIC-III and IV datasets show that MERA achieves the state-of-the-art diagnosis prediction performance and dramatically elevates the diagnosis prediction capabilities of generative LMs.

The task of predicting time and location from images is challenging and requires complex human-like puzzle-solving ability over different clues. In this work, we formalize this ability into core skills and implement them using different modules in an expert pipeline called PuzzleGPT. PuzzleGPT consists of a perceiver to identify visual clues, a reasoner to deduce prediction candidates, a combiner to combinatorially combine information from different clues, a web retriever to get external knowledge if the task can't be solved locally, and a noise filter for robustness. This results in a zero-shot, interpretable, and robust approach that records state-of-the-art performance on two datasets -- TARA and WikiTilo. PuzzleGPT outperforms large VLMs such as BLIP-2, InstructBLIP, LLaVA, and even GPT-4V, as well as automatically generated reasoning pipelines like VisProg, by at least 32% and 38%, respectively. It even rivals or surpasses finetuned models.

Long non-coding RNAs (lncRNAs) serve as crucial regulators in numerous biological processes. Although they share sequence similarities with messenger RNAs (mRNAs), lncRNAs perform entirely different roles, providing new avenues for biological research. The emergence of next-generation sequencing technologies has greatly advanced the detection and identification of lncRNA transcripts and deep learning-based approaches have been introduced to classify long non-coding RNAs (lncRNAs). These advanced methods have significantly enhanced the efficiency of identifying lncRNAs. However, many of these methods are devoid of robustness and accuracy due to the extended length of the sequences involved. To tackle this issue, we have introduced a novel pre-trained bidirectional encoder representation called LoRA-BERT. LoRA-BERT is designed to capture the importance of nucleotide-level information during sequence classification, leading to more robust and satisfactory outcomes. In a comprehensive comparison with commonly used sequence prediction tools, we have demonstrated that LoRA-BERT outperforms them in terms of accuracy and efficiency. Our results indicate that, when utilizing the transformer model, LoRA-BERT achieves state-of-the-art performance in predicting both lncRNAs and mRNAs for human and mouse species. Through the utilization of LoRA-BERT, we acquire valuable insights into the traits of lncRNAs and mRNAs, offering the potential to aid in the comprehension and detection of diseases linked to lncRNAs in humans.

As the academic landscape expands, the challenge of efficiently identifying potentially high-impact articles among the vast number of newly published works becomes critical. This paper introduces a promising approach, leveraging the capabilities of fine-tuned LLMs to predict the future impact of newborn articles solely based on titles and abstracts. Moving beyond traditional methods heavily reliant on external information, the proposed method discerns the shared semantic features of highly impactful papers from a large collection of title-abstract and potential impact pairs. These semantic features are further utilized to regress an improved metric, TNCSI_SP, which has been endowed with value, field, and time normalization properties. Additionally, a comprehensive dataset has been constructed and released for fine-tuning the LLM, containing over 12,000 entries with corresponding titles, abstracts, and TNCSI_SP. The quantitative results, with an NDCG@20 of 0.901, demonstrate that the proposed approach achieves state-of-the-art performance in predicting the impact of newborn articles when compared to competitive counterparts. Finally, we demonstrate a real-world application for predicting the impact of newborn journal articles to demonstrate its noteworthy practical value. Overall, our findings challenge existing paradigms and propose a shift towards a more content-focused prediction of academic impact, offering new insights for assessing newborn article impact.

Visual search is important in our daily life. The efficient allocation of visual attention is critical to effectively complete visual search tasks. Prior research has predominantly modelled the spatial allocation of visual attention in images at the pixel level, e.g. using a saliency map. However, emerging evidence shows that visual attention is guided by objects rather than pixel intensities. This paper introduces the Object-level Attention Transformer (OAT), which predicts human scanpaths as they search for a target object within a cluttered scene of distractors. OAT uses an encoder-decoder architecture. The encoder captures information about the position and appearance of the objects within an image and about the target. The decoder predicts the gaze scanpath as a sequence of object fixations, by integrating output features from both the encoder and decoder. We also propose a new positional encoding that better reflects spatial relationships between objects. We evaluated OAT on the Amazon book cover dataset and a new dataset for visual search that we collected. OAT's predicted gaze scanpaths align more closely with human gaze patterns, compared to predictions by algorithms based on spatial attention on both established metrics and a novel behavioural-based metric. Our results demonstrate the generalization ability of OAT, as it accurately predicts human scanpaths for unseen layouts and target objects.

There has been much interest in accurate cryptocurrency price forecast models by investors and researchers. Deep Learning models are prominent machine learning techniques that have transformed various fields and have shown potential for finance and economics. Although various deep learning models have been explored for cryptocurrency price forecasting, it is not clear which models are suitable due to high market volatility. In this study, we review the literature about deep learning for cryptocurrency price forecasting and evaluate novel deep learning models for cryptocurrency stock price prediction. Our deep learning models include variants of long short-term memory (LSTM) recurrent neural networks, variants of convolutional neural networks (CNNs), and the Transformer model. We evaluate univariate and multivariate approaches for multi-step ahead predicting of cryptocurrencies close-price. We also carry out volatility analysis on the four cryptocurrencies which reveals significant fluctuations in their prices throughout the COVID-19 pandemic. Additionally, we investigate the prediction accuracy of two scenarios identified by different training sets for the models. First, we use the pre-COVID-19 datasets to model cryptocurrency close-price forecasting during the early period of COVID-19. Secondly, we utilise data from the COVID-19 period to predict prices for 2023 to 2024. Our results show that the convolutional LSTM with a multivariate approach provides the best prediction accuracy in two major experimental settings. Our results also indicate that the multivariate deep learning models exhibit better performance in forecasting four different cryptocurrencies when compared to the univariate models.

Crystal structures are characterized by atomic bases within a primitive unit cell that repeats along a regular lattice throughout 3D space. The periodic and infinite nature of crystals poses unique challenges for geometric graph representation learning. Specifically, constructing graphs that effectively capture the complete geometric information of crystals and handle chiral crystals remains an unsolved and challenging problem. In this paper, we introduce a novel approach that utilizes the periodic patterns of unit cells to establish the lattice-based representation for each atom, enabling efficient and expressive graph representations of crystals. Furthermore, we propose ComFormer, a SE(3) transformer designed specifically for crystalline materials. ComFormer includes two variants; namely, iComFormer that employs invariant geometric descriptors of Euclidean distances and angles, and eComFormer that utilizes equivariant vector representations. Experimental results demonstrate the state-of-the-art predictive accuracy of ComFormer variants on various tasks across three widely-used crystal benchmarks. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).

Modern machine learning (ML) systems demand substantial training data, often resorting to external sources. Nevertheless, this practice renders them vulnerable to backdoor poisoning attacks. Prior backdoor defense strategies have primarily focused on the identification of backdoored models or poisoned data characteristics, typically operating under the assumption of access to clean data. In this work, we delve into a relatively underexplored challenge: the automatic identification of backdoor data within a poisoned dataset, all under realistic conditions, i.e., without the need for additional clean data or without manually defining a threshold for backdoor detection. We draw an inspiration from the scaled prediction consistency (SPC) technique, which exploits the prediction invariance of poisoned data to an input scaling factor. Based on this, we pose the backdoor data identification problem as a hierarchical data splitting optimization problem, leveraging a novel SPC-based loss function as the primary optimization objective. Our innovation unfolds in several key aspects. First, we revisit the vanilla SPC method, unveiling its limitations in addressing the proposed backdoor identification problem. Subsequently, we develop a bi-level optimization-based approach to precisely identify backdoor data by minimizing the advanced SPC loss. Finally, we demonstrate the efficacy of our proposal against a spectrum of backdoor attacks, encompassing basic label-corrupted attacks as well as more sophisticated clean-label attacks, evaluated across various benchmark datasets. Experiment results show that our approach often surpasses the performance of current baselines in identifying backdoor data points, resulting in about 4%-36% improvement in average AUROC. Codes are available at https://github.com/OPTML-Group/BackdoorMSPC.

Knowledge base population seeks to expand knowledge graphs with facts that are typically extracted from a text corpus. Recently, language models pretrained on large corpora have been shown to contain factual knowledge that can be retrieved using cloze-style strategies. Such approach enables zero-shot recall of facts, showing competitive results in object prediction compared to supervised baselines. However, prompt-based fact retrieval can be brittle and heavily depend on the prompts and context used, which may produce results that are unintended or hallucinatory.We propose to use textual entailment to validate facts extracted from language models through cloze statements. Our results show that triple validation based on textual entailment improves language model predictions in different training regimes. Furthermore, we show that entailment-based triple validation is also effective to validate candidate facts extracted from other sources including existing knowledge graphs and text passages where named entities are recognized.

Epilepsy is a common disease of the nervous system. Timely prediction of seizures and intervention treatment can significantly reduce the accidental injury of patients and protect the life and health of patients. This paper presents a neuromorphic Spiking Convolutional Transformer, named Spiking Conformer, to detect and predict epileptic seizure segments from scalped long-term electroencephalogram (EEG) recordings. We report evaluation results from the Spiking Conformer model using the Boston Children's Hospital-MIT (CHB-MIT) EEG dataset. By leveraging spike-based addition operations, the Spiking Conformer significantly reduces the classification computational cost compared to the non-spiking model. Additionally, we introduce an approximate spiking neuron layer to further reduce spike-triggered neuron updates by nearly 38% without sacrificing accuracy. Using raw EEG data as input, the proposed Spiking Conformer achieved an average sensitivity rate of 94.9% and a specificity rate of 99.3% for the seizure detection task, and 96.8%, 89.5% for the seizure prediction task, and needs >10x fewer operations compared to the non-spiking equivalent model.

Graph neural networks (GNNs) have shown promising performance for knowledge graph reasoning. A recent variant of GNN called progressive relational graph neural network (PRGNN), utilizes relational rules to infer missing knowledge in relational digraphs and achieves notable results. However, during reasoning with PRGNN, two important properties are often overlooked: (1) the sequentiality of relation composition, where the order of combining different relations affects the semantics of the relational rules, and (2) the lagged entity information propagation, where the transmission speed of required information lags behind the appearance speed of new entities. Ignoring these properties leads to incorrect relational rule learning and decreased reasoning accuracy. To address these issues, we propose a novel knowledge graph reasoning approach, the Relational rUle eNhanced Graph Neural Network (RUN-GNN). Specifically, RUN-GNN employs a query related fusion gate unit to model the sequentiality of relation composition and utilizes a buffering update mechanism to alleviate the negative effect of lagged entity information propagation, resulting in higher-quality relational rule learning. Experimental results on multiple datasets demonstrate the superiority of RUN-GNN is superior on both transductive and inductive link prediction tasks.

A central challenge of video prediction lies where the system has to reason the objects' future motions from image frames while simultaneously maintaining the consistency of their appearances across frames. This work introduces an end-to-end trainable two-stream video prediction framework, Motion-Matrix-based Video Prediction (MMVP), to tackle this challenge. Unlike previous methods that usually handle motion prediction and appearance maintenance within the same set of modules, MMVP decouples motion and appearance information by constructing appearance-agnostic motion matrices. The motion matrices represent the temporal similarity of each and every pair of feature patches in the input frames, and are the sole input of the motion prediction module in MMVP. This design improves video prediction in both accuracy and efficiency, and reduces the model size. Results of extensive experiments demonstrate that MMVP outperforms state-of-the-art systems on public data sets by non-negligible large margins (about 1 db in PSNR, UCF Sports) in significantly smaller model sizes (84% the size or smaller).

Integrating CNNs and RNNs to capture spatiotemporal dependencies is a prevalent strategy for spatiotemporal prediction tasks. However, the property of CNNs to learn local spatial information decreases their efficiency in capturing spatiotemporal dependencies, thereby limiting their prediction accuracy. In this paper, we propose a new recurrent cell, SwinLSTM, which integrates Swin Transformer blocks and the simplified LSTM, an extension that replaces the convolutional structure in ConvLSTM with the self-attention mechanism. Furthermore, we construct a network with SwinLSTM cell as the core for spatiotemporal prediction. Without using unique tricks, SwinLSTM outperforms state-of-the-art methods on Moving MNIST, Human3.6m, TaxiBJ, and KTH datasets. In particular, it exhibits a significant improvement in prediction accuracy compared to ConvLSTM. Our competitive experimental results demonstrate that learning global spatial dependencies is more advantageous for models to capture spatiotemporal dependencies. We hope that SwinLSTM can serve as a solid baseline to promote the advancement of spatiotemporal prediction accuracy. The codes are publicly available at https://github.com/SongTang-x/SwinLSTM.

Safety-critical applications such as autonomous vehicles and social robots require fast computation and accurate probability density estimation on trajectory prediction. To address both requirements, this paper presents a new normalizing flow-based trajectory prediction model named FlowChain. FlowChain is a stack of conditional continuously-indexed flows (CIFs) that are expressive and allow analytical probability density computation. This analytical computation is faster than the generative models that need additional approximations such as kernel density estimation. Moreover, FlowChain is more accurate than the Gaussian mixture-based models due to fewer assumptions on the estimated density. FlowChain also allows a rapid update of estimated probability densities. This update is achieved by adopting the newest observed position and reusing the flow transformations and its log-det-jacobians that represent the motion trend. This update is completed in less than one millisecond because this reuse greatly omits the computational cost. Experimental results showed our FlowChain achieved state-of-the-art trajectory prediction accuracy compared to previous methods. Furthermore, our FlowChain demonstrated superiority in the accuracy and speed of density estimation. Our code is available at https://github.com/meaten/FlowChain-ICCV2023

Molecular property prediction has gained significant attention due to its transformative potential in multiple scientific disciplines. Conventionally, a molecule graph can be represented either as a graph-structured data or a SMILES text. Recently, the rapid development of Large Language Models (LLMs) has revolutionized the field of NLP. Although it is natural to utilize LLMs to assist in understanding molecules represented by SMILES, the exploration of how LLMs will impact molecular property prediction is still in its early stage. In this work, we advance towards this objective through two perspectives: zero/few-shot molecular classification, and using the new explanations generated by LLMs as representations of molecules. To be specific, we first prompt LLMs to do in-context molecular classification and evaluate their performance. After that, we employ LLMs to generate semantically enriched explanations for the original SMILES and then leverage that to fine-tune a small-scale LM model for multiple downstream tasks. The experimental results highlight the superiority of text explanations as molecular representations across multiple benchmark datasets, and confirm the immense potential of LLMs in molecular property prediction tasks. Codes are available at https://github.com/ChnQ/LLM4Mol.

The long-standing one-to-many issue of the open-domain dialogues poses significant challenges for automatic evaluation methods, i.e., there may be multiple suitable responses which differ in semantics for a given conversational context. To tackle this challenge, we propose a novel learning-based automatic evaluation metric (CMN), which can robustly evaluate open-domain dialogues by augmenting Conditional Variational Autoencoders (CVAEs) with a Next Sentence Prediction (NSP) objective and employing Mutual Information (MI) to model the semantic similarity of text in the latent space. Experimental results on two open-domain dialogue datasets demonstrate the superiority of our method compared with a wide range of baselines, especially in handling responses which are distant to the golden reference responses in semantics.

This paper presents a novel neural vocoder named APNet which reconstructs speech waveforms from acoustic features by predicting amplitude and phase spectra directly. The APNet vocoder is composed of an amplitude spectrum predictor (ASP) and a phase spectrum predictor (PSP). The ASP is a residual convolution network which predicts frame-level log amplitude spectra from acoustic features. The PSP also adopts a residual convolution network using acoustic features as input, then passes the output of this network through two parallel linear convolution layers respectively, and finally integrates into a phase calculation formula to estimate frame-level phase spectra. Finally, the outputs of ASP and PSP are combined to reconstruct speech waveforms by inverse short-time Fourier transform (ISTFT). All operations of the ASP and PSP are performed at the frame level. We train the ASP and PSP jointly and define multilevel loss functions based on amplitude mean square error, phase anti-wrapping error, short-time spectral inconsistency error and time domain reconstruction error. Experimental results show that our proposed APNet vocoder achieves an approximately 8x faster inference speed than HiFi-GAN v1 on a CPU due to the all-frame-level operations, while its synthesized speech quality is comparable to HiFi-GAN v1. The synthesized speech quality of the APNet vocoder is also better than that of several equally efficient models. Ablation experiments also confirm that the proposed parallel phase estimation architecture is essential to phase modeling and the proposed loss functions are helpful for improving the synthesized speech quality.

The vision-based perception for autonomous driving has undergone a transformation from the bird-eye-view (BEV) representations to the 3D semantic occupancy. Compared with the BEV planes, the 3D semantic occupancy further provides structural information along the vertical direction. This paper presents OccFormer, a dual-path transformer network to effectively process the 3D volume for semantic occupancy prediction. OccFormer achieves a long-range, dynamic, and efficient encoding of the camera-generated 3D voxel features. It is obtained by decomposing the heavy 3D processing into the local and global transformer pathways along the horizontal plane. For the occupancy decoder, we adapt the vanilla Mask2Former for 3D semantic occupancy by proposing preserve-pooling and class-guided sampling, which notably mitigate the sparsity and class imbalance. Experimental results demonstrate that OccFormer significantly outperforms existing methods for semantic scene completion on SemanticKITTI dataset and for LiDAR semantic segmentation on nuScenes dataset. Code is available at https://github.com/zhangyp15/OccFormer.

Predicting attention regions of interest is an important yet challenging task for self-driving systems. Existing methodologies rely on large-scale labeled traffic datasets that are labor-intensive to obtain. Besides, the huge domain gap between natural scenes and traffic scenes in current datasets also limits the potential for model training. To address these challenges, we are the first to introduce an unsupervised way to predict self-driving attention by uncertainty modeling and driving knowledge integration. Our approach's Uncertainty Mining Branch (UMB) discovers commonalities and differences from multiple generated pseudo-labels achieved from models pre-trained on natural scenes by actively measuring the uncertainty. Meanwhile, our Knowledge Embedding Block (KEB) bridges the domain gap by incorporating driving knowledge to adaptively refine the generated pseudo-labels. Quantitative and qualitative results with equivalent or even more impressive performance compared to fully-supervised state-of-the-art approaches across all three public datasets demonstrate the effectiveness of the proposed method and the potential of this direction. The code will be made publicly available.

Trajectory prediction has been a crucial task in building a reliable autonomous driving system by anticipating possible dangers. One key issue is to generate consistent trajectory predictions without colliding. To overcome the challenge, we propose an efficient masked autoencoder for trajectory prediction (Traj-MAE) that better represents the complicated behaviors of agents in the driving environment. Specifically, our Traj-MAE employs diverse masking strategies to pre-train the trajectory encoder and map encoder, allowing for the capture of social and temporal information among agents while leveraging the effect of environment from multiple granularities. To address the catastrophic forgetting problem that arises when pre-training the network with multiple masking strategies, we introduce a continual pre-training framework, which can help Traj-MAE learn valuable and diverse information from various strategies efficiently. Our experimental results in both multi-agent and single-agent settings demonstrate that Traj-MAE achieves competitive results with state-of-the-art methods and significantly outperforms our baseline model.

Finding the optimal pass sequence of compilation can lead to a significant reduction in program size and/or improvement in program efficiency. Prior works on compilation pass ordering have two major drawbacks. They either require an excessive budget (in terms of compilation steps) at compile time or fail to generalize to unseen programs. In this paper, for code-size reduction tasks, we propose a novel pipeline to find program-dependent pass sequences within 45 compilation calls. It first identifies a coreset of 50 pass sequences via greedy optimization of a submodular function, and then learns a policy with Graph Neural Network (GNN) to pick the optimal sequence by predicting the normalized values of the pass sequences in the coreset. Despite its simplicity, our pipeline outperforms the default -Oz flag by an average of 4.7% over a large collection (4683) of unseen code repositories from diverse domains across 14 datasets. In comparison, previous approaches like reinforcement learning on the raw pass sequence space may take days to train due to sparse reward, and may not generalize well in held-out ones from different domains. Our results demonstrate that existing human-designed compiler flags can be improved with a simple yet effective technique that transforms the raw action space into a small one with denser rewards.

Neural language models encode rich knowledge about entities and their relationships which can be extracted from their representations using probing. Common properties of nouns (e.g., red strawberries, small ant) are, however, more challenging to extract compared to other types of knowledge because they are rarely explicitly stated in texts. We hypothesize this to mainly be the case for perceptual properties which are obvious to the participants in the communication. We propose to extract these properties from images and use them in an ensemble model, in order to complement the information that is extracted from language models. We consider perceptual properties to be more concrete than abstract properties (e.g., interesting, flawless). We propose to use the adjectives' concreteness score as a lever to calibrate the contribution of each source (text vs. images). We evaluate our ensemble model in a ranking task where the actual properties of a noun need to be ranked higher than other non-relevant properties. Our results show that the proposed combination of text and images greatly improves noun property prediction compared to powerful text-based language models.

Conformal prediction is a widely used method to quantify the uncertainty of a classifier under the assumption of exchangeability (e.g., IID data). We generalize conformal prediction to the Hidden Markov Model (HMM) framework where the assumption of exchangeability is not valid. The key idea of the proposed method is to partition the non-exchangeable Markovian data from the HMM into exchangeable blocks by exploiting the de Finetti's Theorem for Markov Chains discovered by Diaconis and Freedman (1980). The permutations of the exchangeable blocks are viewed as randomizations of the observed Markovian data from the HMM. The proposed method provably retains all desirable theoretical guarantees offered by the classical conformal prediction framework in both exchangeable and Markovian settings. In particular, while the lack of exchangeability introduced by Markovian samples constitutes a violation of a crucial assumption for classical conformal prediction, the proposed method views it as an advantage that can be exploited to improve the performance further. Detailed numerical and empirical results that complement the theoretical conclusions are provided to illustrate the practical feasibility of the proposed method.

Deep learning has been successful in automating the design of features in machine learning pipelines. However, the algorithms optimizing neural network parameters remain largely hand-designed and computationally inefficient. We study if we can use deep learning to directly predict these parameters by exploiting the past knowledge of training other networks. We introduce a large-scale dataset of diverse computational graphs of neural architectures - DeepNets-1M - and use it to explore parameter prediction on CIFAR-10 and ImageNet. By leveraging advances in graph neural networks, we propose a hypernetwork that can predict performant parameters in a single forward pass taking a fraction of a second, even on a CPU. The proposed model achieves surprisingly good performance on unseen and diverse networks. For example, it is able to predict all 24 million parameters of a ResNet-50 achieving a 60% accuracy on CIFAR-10. On ImageNet, top-5 accuracy of some of our networks approaches 50%. Our task along with the model and results can potentially lead to a new, more computationally efficient paradigm of training networks. Our model also learns a strong representation of neural architectures enabling their analysis.

Deep neural networks have become increasingly of interest in dynamical system prediction, but out-of-distribution generalization and long-term stability still remains challenging. In this work, we treat the domain parameters of dynamical systems as factors of variation of the data generating process. By leveraging ideas from supervised disentanglement and causal factorization, we aim to separate the domain parameters from the dynamics in the latent space of generative models. In our experiments we model dynamics both in phase space and in video sequences and conduct rigorous OOD evaluations. Results indicate that disentangled VAEs adapt better to domain parameters spaces that were not present in the training data. At the same time, disentanglement can improve the long-term and out-of-distribution predictions of state-of-the-art models in video sequences.

GNNs and chemical fingerprints are the predominant approaches to representing molecules for property prediction. However, in NLP, transformers have become the de-facto standard for representation learning thanks to their strong downstream task transfer. In parallel, the software ecosystem around transformers is maturing rapidly, with libraries like HuggingFace and BertViz enabling streamlined training and introspection. In this work, we make one of the first attempts to systematically evaluate transformers on molecular property prediction tasks via our ChemBERTa model. ChemBERTa scales well with pretraining dataset size, offering competitive downstream performance on MoleculeNet and useful attention-based visualization modalities. Our results suggest that transformers offer a promising avenue of future work for molecular representation learning and property prediction. To facilitate these efforts, we release a curated dataset of 77M SMILES from PubChem suitable for large-scale self-supervised pretraining.

Click-through rate (CTR) prediction is a critical task for many applications, as its accuracy has a direct impact on user experience and platform revenue. In recent years, CTR prediction has been widely studied in both academia and industry, resulting in a wide variety of CTR prediction models. Unfortunately, there is still a lack of standardized benchmarks and uniform evaluation protocols for CTR prediction research. This leads to non-reproducible or even inconsistent experimental results among existing studies, which largely limits the practical value and potential impact of their research. In this work, we aim to perform open benchmarking for CTR prediction and present a rigorous comparison of different models in a reproducible manner. To this end, we ran over 7,000 experiments for more than 12,000 GPU hours in total to re-evaluate 24 existing models on multiple datasets and settings. Surprisingly, our experiments show that with sufficient hyper-parameter search and model tuning, many deep models have smaller differences than expected. The results also reveal that making real progress on the modeling of CTR prediction is indeed a very challenging research task. We believe that our benchmarking work could not only allow researchers to gauge the effectiveness of new models conveniently but also make them fairly compare with the state of the arts. We have publicly released the benchmarking code, evaluation protocols, and hyper-parameter settings of our work to promote reproducible research in this field.

With the increased applications of automatic speech recognition (ASR) in recent years, it is essential to automatically insert punctuation marks and remove disfluencies in transcripts, to improve the readability of the transcripts as well as the performance of subsequent applications, such as machine translation, dialogue systems, and so forth. In this paper, we propose a Controllable Time-delay Transformer (CT-Transformer) model that jointly completes the punctuation prediction and disfluency detection tasks in real time. The CT-Transformer model facilitates freezing partial outputs with controllable time delay to fulfill the real-time constraints in partial decoding required by subsequent applications. We further propose a fast decoding strategy to minimize latency while maintaining competitive performance. Experimental results on the IWSLT2011 benchmark dataset and an in-house Chinese annotated dataset demonstrate that the proposed approach outperforms the previous state-of-the-art models on F-scores and achieves a competitive inference speed.

Reducing traffic accidents is an important public safety challenge, therefore, accident analysis and prediction has been a topic of much research over the past few decades. Using small-scale datasets with limited coverage, being dependent on extensive set of data, and being not applicable for real-time purposes are the important shortcomings of the existing studies. To address these challenges, we propose a new solution for real-time traffic accident prediction using easy-to-obtain, but sparse data. Our solution relies on a deep-neural-network model (which we have named DAP, for Deep Accident Prediction); which utilizes a variety of data attributes such as traffic events, weather data, points-of-interest, and time. DAP incorporates multiple components including a recurrent (for time-sensitive data), a fully connected (for time-insensitive data), and a trainable embedding component (to capture spatial heterogeneity). To fill the data gap, we have - through a comprehensive process of data collection, integration, and augmentation - created a large-scale publicly available database of accident information named US-Accidents. By employing the US-Accidents dataset and through an extensive set of experiments across several large cities, we have evaluated our proposal against several baselines. Our analysis and results show significant improvements to predict rare accident events. Further, we have shown the impact of traffic information, time, and points-of-interest data for real-time accident prediction.

Click-Through Rate prediction is an important task in recommender systems, which aims to estimate the probability of a user to click on a given item. Recently, many deep models have been proposed to learn low-order and high-order feature interactions from original features. However, since useful interactions are always sparse, it is difficult for DNN to learn them effectively under a large number of parameters. In real scenarios, artificial features are able to improve the performance of deep models (such as Wide & Deep Learning), but feature engineering is expensive and requires domain knowledge, making it impractical in different scenarios. Therefore, it is necessary to augment feature space automatically. In this paper, We propose a novel Feature Generation by Convolutional Neural Network (FGCNN) model with two components: Feature Generation and Deep Classifier. Feature Generation leverages the strength of CNN to generate local patterns and recombine them to generate new features. Deep Classifier adopts the structure of IPNN to learn interactions from the augmented feature space. Experimental results on three large-scale datasets show that FGCNN significantly outperforms nine state-of-the-art models. Moreover, when applying some state-of-the-art models as Deep Classifier, better performance is always achieved, showing the great compatibility of our FGCNN model. This work explores a novel direction for CTR predictions: it is quite useful to reduce the learning difficulties of DNN by automatically identifying important features.

Despite the tremendous achievements of deep convolutional neural networks (CNNs) in many computer vision tasks, understanding how they actually work remains a significant challenge. In this paper, we propose a novel two-step understanding method, namely Salient Relevance (SR) map, which aims to shed light on how deep CNNs recognize images and learn features from areas, referred to as attention areas, therein. Our proposed method starts out with a layer-wise relevance propagation (LRP) step which estimates a pixel-wise relevance map over the input image. Following, we construct a context-aware saliency map, SR map, from the LRP-generated map which predicts areas close to the foci of attention instead of isolated pixels that LRP reveals. In human visual system, information of regions is more important than of pixels in recognition. Consequently, our proposed approach closely simulates human recognition. Experimental results using the ILSVRC2012 validation dataset in conjunction with two well-established deep CNN models, AlexNet and VGG-16, clearly demonstrate that our proposed approach concisely identifies not only key pixels but also attention areas that contribute to the underlying neural network's comprehension of the given images. As such, our proposed SR map constitutes a convenient visual interface which unveils the visual attention of the network and reveals which type of objects the model has learned to recognize after training. The source code is available at https://github.com/Hey1Li/Salient-Relevance-Propagation.

This paper reports on a data-driven, interaction-aware motion prediction approach for pedestrians in environments cluttered with static obstacles. When navigating in such workspaces shared with humans, robots need accurate motion predictions of the surrounding pedestrians. Human navigation behavior is mostly influenced by their surrounding pedestrians and by the static obstacles in their vicinity. In this paper we introduce a new model based on Long-Short Term Memory (LSTM) neural networks, which is able to learn human motion behavior from demonstrated data. To the best of our knowledge, this is the first approach using LSTMs, that incorporates both static obstacles and surrounding pedestrians for trajectory forecasting. As part of the model, we introduce a new way of encoding surrounding pedestrians based on a 1d-grid in polar angle space. We evaluate the benefit of interaction-aware motion prediction and the added value of incorporating static obstacles on both simulation and real-world datasets by comparing with state-of-the-art approaches. The results show, that our new approach outperforms the other approaches while being very computationally efficient and that taking into account static obstacles for motion predictions significantly improves the prediction accuracy, especially in cluttered environments.

Stock markets play an important role in the global economy, where accurate stock price predictions can lead to significant financial returns. While existing transformer-based models have outperformed long short-term memory networks and convolutional neural networks in financial time series prediction, their high computational complexity and memory requirements limit their practicality for real-time trading and long-sequence data processing. To address these challenges, we propose SAMBA, an innovative framework for stock return prediction that builds on the Mamba architecture and integrates graph neural networks. SAMBA achieves near-linear computational complexity by utilizing a bidirectional Mamba block to capture long-term dependencies in historical price data and employing adaptive graph convolution to model dependencies between daily stock features. Our experimental results demonstrate that SAMBA significantly outperforms state-of-the-art baseline models in prediction accuracy, maintaining low computational complexity. The code and datasets are available at github.com/Ali-Meh619/SAMBA.

Speech bandwidth extension (BWE) refers to widening the frequency bandwidth range of speech signals, enhancing the speech quality towards brighter and fuller. This paper proposes a generative adversarial network (GAN) based BWE model with parallel prediction of Amplitude and Phase spectra, named AP-BWE, which achieves both high-quality and efficient wideband speech waveform generation. The proposed AP-BWE generator is entirely based on convolutional neural networks (CNNs). It features a dual-stream architecture with mutual interaction, where the amplitude stream and the phase stream communicate with each other and respectively extend the high-frequency components from the input narrowband amplitude and phase spectra. To improve the naturalness of the extended speech signals, we employ a multi-period discriminator at the waveform level and design a pair of multi-resolution amplitude and phase discriminators at the spectral level, respectively. Experimental results demonstrate that our proposed AP-BWE achieves state-of-the-art performance in terms of speech quality for BWE tasks targeting sampling rates of both 16 kHz and 48 kHz. In terms of generation efficiency, due to the all-convolutional architecture and all-frame-level operations, the proposed AP-BWE can generate 48 kHz waveform samples 292.3 times faster than real-time on a single RTX 4090 GPU and 18.1 times faster than real-time on a single CPU. Notably, to our knowledge, AP-BWE is the first to achieve the direct extension of the high-frequency phase spectrum, which is beneficial for improving the effectiveness of existing BWE methods.

To achieve seamless collaboration between robots and humans in a shared environment, accurately predicting future human movements is essential. Human motion prediction has traditionally been approached as a sequence prediction problem, leveraging historical human motion data to estimate future poses. Beginning with vanilla recurrent networks, the research community has investigated a variety of methods for learning human motion dynamics, encompassing graph-based and generative approaches. Despite these efforts, achieving accurate long-term predictions continues to be a significant challenge. In this regard, we present the Adversarial Motion Transformer (AdvMT), a novel model that integrates a transformer-based motion encoder and a temporal continuity discriminator. This combination effectively captures spatial and temporal dependencies simultaneously within frames. With adversarial training, our method effectively reduces the unwanted artifacts in predictions, thereby ensuring the learning of more realistic and fluid human motions. The evaluation results indicate that AdvMT greatly enhances the accuracy of long-term predictions while also delivering robust short-term predictions

Existing Self-Supervised Learning (SSL) models for speech typically process speech signals at a fixed resolution of 20 milliseconds. This approach overlooks the varying informational content present at different resolutions in speech signals. In contrast, this paper aims to incorporate multi-resolution information into speech self-supervised representation learning. We introduce a SSL model that leverages a hierarchical Transformer architecture, complemented by HuBERT-style masked prediction objectives, to process speech at multiple resolutions. Experimental results indicate that the proposed model not only achieves more efficient inference but also exhibits superior or comparable performance to the original HuBERT model over various tasks. Specifically, significant performance improvements over the original HuBERT have been observed in fine-tuning experiments on the LibriSpeech speech recognition benchmark as well as in evaluations using the Speech Universal PERformance Benchmark (SUPERB) and Multilingual SUPERB (ML-SUPERB).

Automated program repair (APR) aims to fix software bugs without human intervention and template-based APR has been widely investigated with promising results. However, it is challenging for template-based APR to select the appropriate donor code, which is an important repair ingredient for generating candidate patches. Inappropriate donor code may cause plausible but incorrect patch generation even with correct fix patterns, limiting the repair performance. In this paper, we aim to revisit template-based APR, and propose GAMMA, to directly leverage large pre-trained language models for donor code generation. Our main insight is that instead of retrieving donor code in the local buggy file, we can directly predict the correct code tokens based on the context code snippets and repair patterns by a cloze task. Specifically, (1) GAMMA revises a variety of fix templates from state-of-the-art template-based APR techniques (i.e., TBar) and transforms them into mask patterns. (2) GAMMA adopts a pre-trained language model to predict the correct code for masked code as a fill-in-the-blank task. The experimental results demonstrate that GAMMA correctly repairs 82 bugs on Defects4J-v1.2, which achieves 20.59\% (14 bugs) and 26.15\% (17 bugs) improvement over the previous state-of-the-art template-based approach TBar and learning-based one Recoder. Furthermore, GAMMA repairs 45 bugs and 22 bugs from the additional Defects4J-v2.0 and QuixBugs, indicating the generalizability of GAMMA in addressing the dataset overfitting issue. We also prove that adopting other pre-trained language models can provide substantial advancement, e.g., CodeBERT-based and ChatGPT-based GAMMA is able to fix 80 and 67 bugs on Defects4J-v1.2, indicating the scalability of GAMMA. Overall, our study highlights the promising future of adopting pre-trained models to generate correct patches on top of fix patterns.

The impact of soiling on solar panels is an important and well-studied problem in renewable energy sector. In this paper, we present the first convolutional neural network (CNN) based approach for solar panel soiling and defect analysis. Our approach takes an RGB image of solar panel and environmental factors as inputs to predict power loss, soiling localization, and soiling type. In computer vision, localization is a complex task which typically requires manually labeled training data such as bounding boxes or segmentation masks. Our proposed approach consists of specialized four stages which completely avoids localization ground truth and only needs panel images with power loss labels for training. The region of impact area obtained from the predicted localization masks are classified into soiling types using the webly supervised learning. For improving localization capabilities of CNNs, we introduce a novel bi-directional input-aware fusion (BiDIAF) block that reinforces the input at different levels of CNN to learn input-specific feature maps. Our empirical study shows that BiDIAF improves the power loss prediction accuracy by about 3% and localization accuracy by about 4%. Our end-to-end model yields further improvement of about 24% on localization when learned in a weakly supervised manner. Our approach is generalizable and showed promising results on web crawled solar panel images. Our system has a frame rate of 22 fps (including all steps) on a NVIDIA TitanX GPU. Additionally, we collected first of it's kind dataset for solar panel image analysis consisting 45,000+ images.

Background and Objective: Radiation pneumonitis (RP) is a side effect of thoracic radiation therapy. Recently, Machine learning (ML) models enhanced with radiomic and dosiomic features provide better predictions by incorporating spatial information beyond DVHs. However, to improve the clinical decision process, we propose to use uncertainty quantification (UQ) to improve the confidence in model prediction. This study evaluates the impact of post hoc UQ methods on the discriminative performance and calibration of ML models for RP prediction. Methods: This study evaluated four ML models: logistic regression (LR), support vector machines (SVM), extreme gradient boosting (XGB), and random forest (RF), using radiomic, dosiomic, and dosimetric features to predict RP. We applied UQ methods, including Patt scaling, isotonic regression, Venn-ABERS predictor, and Conformal Prediction, to quantify uncertainty. Model performance was assessed through Area Under the Receiver Operating Characteristic curve (AUROC), Area Under the Precision-Recall Curve (AUPRC), and Adaptive Calibration Error (ACE) using Leave-One-Out Cross-Validation (LOO-CV). Results: UQ methods enhanced predictive performance, particularly for high-certainty predictions, while also improving calibration. Radiomic and dosiomic features increased model accuracy but introduced calibration challenges, especially for non-linear models like XGB and RF. Performance gains from UQ methods were most noticeable at higher certainty thresholds. Conclusion: Integrating UQ into ML models with radiomic and dosiomic features improves both predictive accuracy and calibration, supporting more reliable clinical decision-making. The findings emphasize the value of UQ methods in enhancing applicability of predictive models for RP in healthcare settings.

Deep learning models are increasingly employed for perception, prediction, and control in complex systems. Embedding physical knowledge into these models is crucial for achieving realistic and consistent outputs, a challenge often addressed by physics-informed machine learning. However, integrating physical knowledge with representation learning becomes difficult when dealing with high-dimensional observation data, such as images, particularly under conditions of incomplete or imprecise state information. To address this, we propose Physically Interpretable World Models, a novel architecture that aligns learned latent representations with real-world physical quantities. Our method combines a variational autoencoder with a dynamical model that incorporates unknown system parameters, enabling the discovery of physically meaningful representations. By employing weak supervision with interval-based constraints, our approach eliminates the reliance on ground-truth physical annotations. Experimental results demonstrate that our method improves the quality of learned representations while achieving accurate predictions of future states, advancing the field of representation learning in dynamic systems.

In this paper, we introduce HEADS-UP, the first egocentric dataset collected from head-mounted cameras, designed specifically for trajectory prediction in blind assistance systems. With the growing population of blind and visually impaired individuals, the need for intelligent assistive tools that provide real-time warnings about potential collisions with dynamic obstacles is becoming critical. These systems rely on algorithms capable of predicting the trajectories of moving objects, such as pedestrians, to issue timely hazard alerts. However, existing datasets fail to capture the necessary information from the perspective of a blind individual. To address this gap, HEADS-UP offers a novel dataset focused on trajectory prediction in this context. Leveraging this dataset, we propose a semi-local trajectory prediction approach to assess collision risks between blind individuals and pedestrians in dynamic environments. Unlike conventional methods that separately predict the trajectories of both the blind individual (ego agent) and pedestrians, our approach operates within a semi-local coordinate system, a rotated version of the camera's coordinate system, facilitating the prediction process. We validate our method on the HEADS-UP dataset and implement the proposed solution in ROS, performing real-time tests on an NVIDIA Jetson GPU through a user study. Results from both dataset evaluations and live tests demonstrate the robustness and efficiency of our approach.

Text-based 2D diffusion models have demonstrated impressive capabilities in image generation and editing. Meanwhile, the 2D diffusion models also exhibit substantial potentials for 3D editing tasks. However, how to achieve consistent edits across multiple viewpoints remains a challenge. While the iterative dataset update method is capable of achieving global consistency, it suffers from slow convergence and over-smoothed textures. We propose SyncNoise, a novel geometry-guided multi-view consistent noise editing approach for high-fidelity 3D scene editing. SyncNoise synchronously edits multiple views with 2D diffusion models while enforcing multi-view noise predictions to be geometrically consistent, which ensures global consistency in both semantic structure and low-frequency appearance. To further enhance local consistency in high-frequency details, we set a group of anchor views and propagate them to their neighboring frames through cross-view reprojection. To improve the reliability of multi-view correspondences, we introduce depth supervision during training to enhance the reconstruction of precise geometries. Our method achieves high-quality 3D editing results respecting the textual instructions, especially in scenes with complex textures, by enhancing geometric consistency at the noise and pixel levels.

Texting stands out as the most prominent form of communication worldwide. Individual spend significant amount of time writing whole texts to send emails or write something on social media, which is time consuming in this modern era. Word prediction and sentence completion will be suitable and appropriate in the Bangla language to make textual information easier and more convenient. This paper expands the scope of Bangla language processing by introducing a Bi-LSTM model that effectively handles Bangla next-word prediction and Bangla sentence generation, demonstrating its versatility and potential impact. We proposed a new Bi-LSTM model to predict a following word and complete a sentence. We constructed a corpus dataset from various news portals, including bdnews24, BBC News Bangla, and Prothom Alo. The proposed approach achieved superior results in word prediction, reaching 99\% accuracy for both 4-gram and 5-gram word predictions. Moreover, it demonstrated significant improvement over existing methods, achieving 35\%, 75\%, and 95\% accuracy for uni-gram, bi-gram, and tri-gram word prediction, respectively

This article presents our results for the sixth Affective Behavior Analysis in-the-wild (ABAW) competition. To improve the trustworthiness of facial analysis, we study the possibility of using pre-trained deep models that extract reliable emotional features without the need to fine-tune the neural networks for a downstream task. In particular, we introduce several lightweight models based on MobileViT, MobileFaceNet, EfficientNet, and DDAMFN architectures trained in multi-task scenarios to recognize facial expressions, valence, and arousal on static photos. These neural networks extract frame-level features fed into a simple classifier, e.g., linear feed-forward neural network, to predict emotion intensity, compound expressions, action units, facial expressions, and valence/arousal. Experimental results for five tasks from the sixth ABAW challenge demonstrate that our approach lets us significantly improve quality metrics on validation sets compared to existing non-ensemble techniques.

Recent advances in multimodal pre-trained models have significantly improved information extraction from visually-rich documents (VrDs), in which named entity recognition (NER) is treated as a sequence-labeling task of predicting the BIO entity tags for tokens, following the typical setting of NLP. However, BIO-tagging scheme relies on the correct order of model inputs, which is not guaranteed in real-world NER on scanned VrDs where text are recognized and arranged by OCR systems. Such reading order issue hinders the accurate marking of entities by BIO-tagging scheme, making it impossible for sequence-labeling methods to predict correct named entities. To address the reading order issue, we introduce Token Path Prediction (TPP), a simple prediction head to predict entity mentions as token sequences within documents. Alternative to token classification, TPP models the document layout as a complete directed graph of tokens, and predicts token paths within the graph as entities. For better evaluation of VrD-NER systems, we also propose two revised benchmark datasets of NER on scanned documents which can reflect real-world scenarios. Experiment results demonstrate the effectiveness of our method, and suggest its potential to be a universal solution to various information extraction tasks on documents.

Most knowledge graph completion (KGC) methods learn latent representations of entities and relations of a given graph by mapping them into a vector space. Although the majority of these methods focus on static knowledge graphs, a large number of publicly available KGs contain temporal information stating the time instant/period over which a certain fact has been true. Such graphs are often known as temporal knowledge graphs. Furthermore, knowledge graphs may also contain textual descriptions of entities and relations. Both temporal information and textual descriptions are not taken into account during representation learning by static KGC methods, and only structural information of the graph is leveraged. Recently, some studies have used temporal information to improve link prediction, yet they do not exploit textual descriptions and do not support inductive inference (prediction on entities that have not been seen in training). We propose a novel framework called TEMT that exploits the power of pre-trained language models (PLMs) for text-enhanced temporal knowledge graph completion. The knowledge stored in the parameters of a PLM allows TEMT to produce rich semantic representations of facts and to generalize on previously unseen entities. TEMT leverages textual and temporal information available in a KG, treats them separately, and fuses them to get plausibility scores of facts. Unlike previous approaches, TEMT effectively captures dependencies across different time points and enables predictions on unseen entities. To assess the performance of TEMT, we carried out several experiments including time interval prediction, both in transductive and inductive settings, and triple classification. The experimental results show that TEMT is competitive with the state-of-the-art.

Alongside neuroimaging such as MRI scans and PET, Alzheimer's disease (AD) datasets contain valuable tabular data including AD biomarkers and clinical assessments. Existing computer vision approaches struggle to utilize this additional information. To address these needs, we propose a generalizable framework for multimodal contrastive learning of image data and tabular data, a novel tabular attention module for amplifying and ranking salient features in tables, and the application of these techniques onto Alzheimer's disease prediction. Experimental evaulations demonstrate the strength of our framework by detecting Alzheimer's disease (AD) from over 882 MR image slices from the ADNI database. We take advantage of the high interpretability of tabular data and our novel tabular attention approach and through attribution of the attention scores for each row of the table, we note and rank the most predominant features. Results show that the model is capable of an accuracy of over 83.8%, almost a 10% increase from previous state of the art.

Exploring spatial-temporal dependencies from observed motions is one of the core challenges of human motion prediction. Previous methods mainly focus on dedicated network structures to model the spatial and temporal dependencies. This paper considers a new direction by introducing a model learning framework with auxiliary tasks. In our auxiliary tasks, partial body joints' coordinates are corrupted by either masking or adding noise and the goal is to recover corrupted coordinates depending on the rest coordinates. To work with auxiliary tasks, we propose a novel auxiliary-adapted transformer, which can handle incomplete, corrupted motion data and achieve coordinate recovery via capturing spatial-temporal dependencies. Through auxiliary tasks, the auxiliary-adapted transformer is promoted to capture more comprehensive spatial-temporal dependencies among body joints' coordinates, leading to better feature learning. Extensive experimental results have shown that our method outperforms state-of-the-art methods by remarkable margins of 7.2%, 3.7%, and 9.4% in terms of 3D mean per joint position error (MPJPE) on the Human3.6M, CMU Mocap, and 3DPW datasets, respectively. We also demonstrate that our method is more robust under data missing cases and noisy data cases. Code is available at https://github.com/MediaBrain-SJTU/AuxFormer.

Is there a statistical difference between Naive Bayes and Random Forest in terms of recall, f-measure, and precision for predicting software defects? By utilizing systematic literature review and meta-analysis, we are answering this question. We conducted a systematic literature review by establishing criteria to search and choose papers, resulting in five studies. After that, using the meta-data and forest-plots of five chosen papers, we conducted a meta-analysis to compare the two models. The results have shown that there is no significant statistical evidence that Naive Bayes perform differently from Random Forest in terms of recall, f-measure, and precision.

Recently, denoising diffusion models have led to significant breakthroughs in the generation of images, audio and text. However, it is still an open question on how to adapt their strong modeling ability to model time series. In this paper, we propose TimeDiff, a non-autoregressive diffusion model that achieves high-quality time series prediction with the introduction of two novel conditioning mechanisms: future mixup and autoregressive initialization. Similar to teacher forcing, future mixup allows parts of the ground-truth future predictions for conditioning, while autoregressive initialization helps better initialize the model with basic time series patterns such as short-term trends. Extensive experiments are performed on nine real-world datasets. Results show that TimeDiff consistently outperforms existing time series diffusion models, and also achieves the best overall performance across a variety of the existing strong baselines (including transformers and FiLM).

Click-through rate (CTR) prediction is one of the fundamental tasks for online advertising and recommendation. While multi-layer perceptron (MLP) serves as a core component in many deep CTR prediction models, it has been widely recognized that applying a vanilla MLP network alone is inefficient in learning multiplicative feature interactions. As such, many two-stream interaction models (e.g., DeepFM and DCN) have been proposed by integrating an MLP network with another dedicated network for enhanced CTR prediction. As the MLP stream learns feature interactions implicitly, existing research focuses mainly on enhancing explicit feature interactions in the complementary stream. In contrast, our empirical study shows that a well-tuned two-stream MLP model that simply combines two MLPs can even achieve surprisingly good performance, which has never been reported before by existing work. Based on this observation, we further propose feature gating and interaction aggregation layers that can be easily plugged to make an enhanced two-stream MLP model, FinalMLP. In this way, it not only enables differentiated feature inputs but also effectively fuses stream-level interactions across two streams. Our evaluation results on four open benchmark datasets as well as an online A/B test in our industrial system show that FinalMLP achieves better performance than many sophisticated two-stream CTR models. Our source code will be available at MindSpore/models.

We propose a simple, efficient, yet powerful framework for dense visual predictions based on the conditional diffusion pipeline. Our approach follows a "noise-to-map" generative paradigm for prediction by progressively removing noise from a random Gaussian distribution, guided by the image. The method, called DDP, efficiently extends the denoising diffusion process into the modern perception pipeline. Without task-specific design and architecture customization, DDP is easy to generalize to most dense prediction tasks, e.g., semantic segmentation and depth estimation. In addition, DDP shows attractive properties such as dynamic inference and uncertainty awareness, in contrast to previous single-step discriminative methods. We show top results on three representative tasks with six diverse benchmarks, without tricks, DDP achieves state-of-the-art or competitive performance on each task compared to the specialist counterparts. For example, semantic segmentation (83.9 mIoU on Cityscapes), BEV map segmentation (70.6 mIoU on nuScenes), and depth estimation (0.05 REL on KITTI). We hope that our approach will serve as a solid baseline and facilitate future research

Motion, scene and object are three primary visual components of a video. In particular, objects represent the foreground, scenes represent the background, and motion traces their dynamics. Based on this insight, we propose a two-stage MOtion, Scene and Object decomposition framework (MOSO) for video prediction, consisting of MOSO-VQVAE and MOSO-Transformer. In the first stage, MOSO-VQVAE decomposes a previous video clip into the motion, scene and object components, and represents them as distinct groups of discrete tokens. Then, in the second stage, MOSO-Transformer predicts the object and scene tokens of the subsequent video clip based on the previous tokens and adds dynamic motion at the token level to the generated object and scene tokens. Our framework can be easily extended to unconditional video generation and video frame interpolation tasks. Experimental results demonstrate that our method achieves new state-of-the-art performance on five challenging benchmarks for video prediction and unconditional video generation: BAIR, RoboNet, KTH, KITTI and UCF101. In addition, MOSO can produce realistic videos by combining objects and scenes from different videos.

We present formulation and open-source tools to achieve in-material model predictive control of sensor/actuator systems using learned forward kinematics and on-device computation. Microcontroller units (MCUs) that compute the prediction and control task while colocated with the sensors and actuators enable in-material untethered behaviors. In this approach, small parameter size neural network models learn forward kinematics offline. Our open-source compiler, nn4mc, generates code to offload these predictions onto MCUs. A Newton-Raphson solver then computes the control input in real time. We first benchmark this nonlinear control approach against a PID controller on a mass-spring-damper simulation. We then study experimental results on two experimental rigs with different sensing, actuation and computational hardware: a tendon-based platform with embedded LightLace sensors and a HASEL-based platform with magnetic sensors. Experimental results indicate effective high-bandwidth tracking of reference paths (greater than or equal to 120 Hz) with a small memory footprint (less than or equal to 6.4% of flash memory). The measured path following error does not exceed 2mm in the tendon-based platform. The simulated path following error does not exceed 1mm in the HASEL-based platform. The mean power consumption of this approach in an ARM Cortex-M4f device is 45.4 mW. This control approach is also compatible with Tensorflow Lite models and equivalent on-device code. In-material intelligence enables a new class of composites that infuse autonomy into structures and systems with refined artificial proprioception.

With the rapid development and evolution of sophisticated algorithms for statistical analysis of time series data, the research community has started spending considerable effort in technical analysis of such data. Forecasting is also an area which has witnessed a paradigm shift in its approach. In this work, we have used the time series of the index values of the Auto sector in India during January 2010 to December 2015 for a deeper understanding of the behavior of its three constituent components, e.g., the Trend, the Seasonal component, and the Random component. Based on this structural analysis, we have also designed three approaches for forecasting and also computed their accuracy in prediction using suitably chosen training and test data sets. The results clearly demonstrate the accuracy of our decomposition results and efficiency of our forecasting techniques, even in presence of a dominant Random component in the time series.

We present MotionDiffuser, a diffusion based representation for the joint distribution of future trajectories over multiple agents. Such representation has several key advantages: first, our model learns a highly multimodal distribution that captures diverse future outcomes. Second, the simple predictor design requires only a single L2 loss training objective, and does not depend on trajectory anchors. Third, our model is capable of learning the joint distribution for the motion of multiple agents in a permutation-invariant manner. Furthermore, we utilize a compressed trajectory representation via PCA, which improves model performance and allows for efficient computation of the exact sample log probability. Subsequently, we propose a general constrained sampling framework that enables controlled trajectory sampling based on differentiable cost functions. This strategy enables a host of applications such as enforcing rules and physical priors, or creating tailored simulation scenarios. MotionDiffuser can be combined with existing backbone architectures to achieve top motion forecasting results. We obtain state-of-the-art results for multi-agent motion prediction on the Waymo Open Motion Dataset.

Foundation Models (FMs) trained on Electronic Health Records (EHRs) have achieved state-of-the-art results on numerous clinical prediction tasks. However, most existing EHR FMs have context windows of <1k tokens. This prevents them from modeling full patient EHRs which can exceed 10k's of events. Recent advancements in subquadratic long-context architectures (e.g., Mamba) offer a promising solution. However, their application to EHR data has not been well-studied. We address this gap by presenting the first systematic evaluation of the effect of context length on modeling EHR data. We find that longer context models improve predictive performance -- our Mamba-based model surpasses the prior state-of-the-art on 9/14 tasks on the EHRSHOT prediction benchmark. For clinical applications, however, model performance alone is insufficient -- robustness to the unique properties of EHR is crucial. Thus, we also evaluate models across three previously underexplored properties of EHR data: (1) the prevalence of "copy-forwarded" diagnoses which creates artificial repetition of tokens within EHR sequences; (2) the irregular time intervals between EHR events which can lead to a wide range of timespans within a context window; and (3) the natural increase in disease complexity over time which makes later tokens in the EHR harder to predict than earlier ones. Stratifying our EHRSHOT results, we find that higher levels of each property correlate negatively with model performance, but that longer context models are more robust to more extreme levels of these properties. Our work highlights the potential for using long-context architectures to model EHR data, and offers a case study for identifying new challenges in modeling sequential data motivated by domains outside of natural language. We release our models and code at: https://github.com/som-shahlab/long_context_clues

Background: This study aimed to evaluate and compare the performance of classical machine learning models (CMLs) and large language models (LLMs) in predicting mortality associated with COVID-19 by utilizing a high-dimensional tabular dataset. Materials and Methods: We analyzed data from 9,134 COVID-19 patients collected across four hospitals. Seven CML models, including XGBoost and random forest (RF), were trained and evaluated. The structured data was converted into text for zero-shot classification by eight LLMs, including GPT-4 and Mistral-7b. Additionally, Mistral-7b was fine-tuned using the QLoRA approach to enhance its predictive capabilities. Results: Among the CML models, XGBoost and RF achieved the highest accuracy, with F1 scores of 0.87 for internal validation and 0.83 for external validation. In the LLM category, GPT-4 was the top performer with an F1 score of 0.43. Fine-tuning Mistral-7b significantly improved its recall from 1% to 79%, resulting in an F1 score of 0.74, which was stable during external validation. Conclusion: While LLMs show moderate performance in zero-shot classification, fine-tuning can significantly enhance their effectiveness, potentially aligning them closer to CML models. However, CMLs still outperform LLMs in high-dimensional tabular data tasks.

Drug-target interaction (DTI) prediction is crucial for identifying new therapeutics and detecting mechanisms of action. While structure-based methods accurately model physical interactions between a drug and its protein target, cell-based assays such as Cell Painting can better capture complex DTI interactions. This paper introduces MOTIVE, a Morphological cOmpound Target Interaction Graph dataset that comprises Cell Painting features for 11,000 genes and 3,600 compounds along with their relationships extracted from seven publicly available databases. We provide random, cold-source (new drugs), and cold-target (new genes) data splits to enable rigorous evaluation under realistic use cases. Our benchmark results show that graph neural networks that use Cell Painting features consistently outperform those that learn from graph structure alone, feature-based models, and topological heuristics. MOTIVE accelerates both graph ML research and drug discovery by promoting the development of more reliable DTI prediction models. MOTIVE resources are available at https://github.com/carpenter-singh-lab/motive.

In this paper, we present a novel methodology we call MDS-ViTNet (Multi Decoder Saliency by Vision Transformer Network) for enhancing visual saliency prediction or eye-tracking. This approach holds significant potential for diverse fields, including marketing, medicine, robotics, and retail. We propose a network architecture that leverages the Vision Transformer, moving beyond the conventional ImageNet backbone. The framework adopts an encoder-decoder structure, with the encoder utilizing a Swin transformer to efficiently embed most important features. This process involves a Transfer Learning method, wherein layers from the Vision Transformer are converted by the Encoder Transformer and seamlessly integrated into a CNN Decoder. This methodology ensures minimal information loss from the original input image. The decoder employs a multi-decoding technique, utilizing dual decoders to generate two distinct attention maps. These maps are subsequently combined into a singular output via an additional CNN model. Our trained model MDS-ViTNet achieves state-of-the-art results across several benchmarks. Committed to fostering further collaboration, we intend to make our code, models, and datasets accessible to the public.

Adapting to concept drift is a challenging task in machine learning, which is usually tackled using incremental learning techniques that periodically re-fit a learning model leveraging newly available data. A primary limitation of these techniques is their reliance on substantial amounts of data for retraining. The necessity of acquiring fresh data introduces temporal delays prior to retraining, potentially rendering the models inaccurate if a sudden concept drift occurs in-between two consecutive retrainings. In communication networks, such issue emerges when performing traffic forecasting following a~failure event: post-failure re-routing may induce a drastic shift in distribution and pattern of traffic data, thus requiring a timely model adaptation. In this work, we address this challenge for the problem of traffic forecasting and propose an approach that exploits adaptive learning algorithms, namely, liquid neural networks, which are capable of self-adaptation to abrupt changes in data patterns without requiring any retraining. Through extensive simulations of failure scenarios, we compare the predictive performance of our proposed approach to that of a reference method based on incremental learning. Experimental results show that our proposed approach outperforms incremental learning-based methods in situations where the shifts in traffic patterns are drastic.

We propose a novel text-to-speech (TTS) framework centered around a neural transducer. Our approach divides the whole TTS pipeline into semantic-level sequence-to-sequence (seq2seq) modeling and fine-grained acoustic modeling stages, utilizing discrete semantic tokens obtained from wav2vec2.0 embeddings. For a robust and efficient alignment modeling, we employ a neural transducer named token transducer for the semantic token prediction, benefiting from its hard monotonic alignment constraints. Subsequently, a non-autoregressive (NAR) speech generator efficiently synthesizes waveforms from these semantic tokens. Additionally, a reference speech controls temporal dynamics and acoustic conditions at each stage. This decoupled framework reduces the training complexity of TTS while allowing each stage to focus on semantic and acoustic modeling. Our experimental results on zero-shot adaptive TTS demonstrate that our model surpasses the baseline in terms of speech quality and speaker similarity, both objectively and subjectively. We also delve into the inference speed and prosody control capabilities of our approach, highlighting the potential of neural transducers in TTS frameworks.

Multi-person motion prediction is a challenging problem due to the dependency of motion on both individual past movements and interactions with other people. Transformer-based methods have shown promising results on this task, but they miss the explicit relation representation between joints, such as skeleton structure and pairwise distance, which is crucial for accurate interaction modeling. In this paper, we propose the Joint-Relation Transformer, which utilizes relation information to enhance interaction modeling and improve future motion prediction. Our relation information contains the relative distance and the intra-/inter-person physical constraints. To fuse relation and joint information, we design a novel joint-relation fusion layer with relation-aware attention to update both features. Additionally, we supervise the relation information by forecasting future distance. Experiments show that our method achieves a 13.4% improvement of 900ms VIM on 3DPW-SoMoF/RC and 17.8%/12.0% improvement of 3s MPJPE on CMU-Mpcap/MuPoTS-3D dataset.

Learning about the three-dimensional world from two-dimensional images is a fundamental problem in computer vision. An ideal neural network architecture for such tasks would leverage the fact that objects can be rotated and translated in three dimensions to make predictions about novel images. However, imposing SO(3)-equivariance on two-dimensional inputs is difficult because the group of three-dimensional rotations does not have a natural action on the two-dimensional plane. Specifically, it is possible that an element of SO(3) will rotate an image out of plane. We show that an algorithm that learns a three-dimensional representation of the world from two dimensional images must satisfy certain geometric consistency properties which we formulate as SO(2)-equivariance constraints. We use the induced and restricted representations of SO(2) on SO(3) to construct and classify architectures which satisfy these geometric consistency constraints. We prove that any architecture which respects said consistency constraints can be realized as an instance of our construction. We show that three previously proposed neural architectures for 3D pose prediction are special cases of our construction. We propose a new algorithm that is a learnable generalization of previously considered methods. We test our architecture on three pose predictions task and achieve SOTA results on both the PASCAL3D+ and SYMSOL pose estimation tasks.

Accurate Urban SpatioTemporal Prediction (USTP) is of great importance to the development and operation of the smart city. As an emerging building block, multi-sourced urban data are usually integrated as urban knowledge graphs (UrbanKGs) to provide critical knowledge for urban spatiotemporal prediction models. However, existing UrbanKGs are often tailored for specific downstream prediction tasks and are not publicly available, which limits the potential advancement. This paper presents UUKG, the unified urban knowledge graph dataset for knowledge-enhanced urban spatiotemporal predictions. Specifically, we first construct UrbanKGs consisting of millions of triplets for two metropolises by connecting heterogeneous urban entities such as administrative boroughs, POIs, and road segments. Moreover, we conduct qualitative and quantitative analysis on constructed UrbanKGs and uncover diverse high-order structural patterns, such as hierarchies and cycles, that can be leveraged to benefit downstream USTP tasks. To validate and facilitate the use of UrbanKGs, we implement and evaluate 15 KG embedding methods on the KG completion task and integrate the learned KG embeddings into 9 spatiotemporal models for five different USTP tasks. The extensive experimental results not only provide benchmarks of knowledge-enhanced USTP models under different task settings but also highlight the potential of state-of-the-art high-order structure-aware UrbanKG embedding methods. We hope the proposed UUKG fosters research on urban knowledge graphs and broad smart city applications. The dataset and source code are available at https://github.com/usail-hkust/UUKG/.

In this paper, we introduce a conformal prediction method to construct prediction sets in a oneshot federated learning setting. More specifically, we define a quantile-of-quantiles estimator and prove that for any distribution, it is possible to output prediction sets with desired coverage in only one round of communication. To mitigate privacy issues, we also describe a locally differentially private version of our estimator. Finally, over a wide range of experiments, we show that our method returns prediction sets with coverage and length very similar to those obtained in a centralized setting. Overall, these results demonstrate that our method is particularly well-suited to perform conformal predictions in a one-shot federated learning setting.

Deep neural representations of 3D shapes as implicit functions have been shown to produce high fidelity models surpassing the resolution-memory trade-off faced by the explicit representations using meshes and point clouds. However, most such approaches focus on representing closed shapes. Unsigned distance function (UDF) based approaches have been proposed recently as a promising alternative to represent both open and closed shapes. However, since the gradients of UDFs vanish on the surface, it is challenging to estimate local (differential) geometric properties like the normals and tangent planes which are needed for many downstream applications in vision and graphics. There are additional challenges in computing these properties efficiently with a low-memory footprint. This paper presents a novel approach that models such surfaces using a new class of implicit representations called the closest surface-point (CSP) representation. We show that CSP allows us to represent complex surfaces of any topology (open or closed) with high fidelity. It also allows for accurate and efficient computation of local geometric properties. We further demonstrate that it leads to efficient implementation of downstream algorithms like sphere-tracing for rendering the 3D surface as well as to create explicit mesh-based representations. Extensive experimental evaluation on the ShapeNet dataset validate the above contributions with results surpassing the state-of-the-art.

Click-through rate (CTR) prediction is a critical problem in web search, recommendation systems and online advertisement displaying. Learning good feature interactions is essential to reflect user's preferences to items. Many CTR prediction models based on deep learning have been proposed, but researchers usually only pay attention to whether state-of-the-art performance is achieved, and ignore whether the entire framework is reasonable. In this work, we use the discrete choice model in economics to redefine the CTR prediction problem, and propose a general neural network framework built on self-attention mechanism. It is found that most existing CTR prediction models align with our proposed general framework. We also examine the expressive power and model complexity of our proposed framework, along with potential extensions to some existing models. And finally we demonstrate and verify our insights through some experimental results on public datasets.

This paper presents a comprehensive study on resume classification to reduce the time and labor needed to screen an overwhelming number of applications significantly, while improving the selection of suitable candidates. A total of 6,492 resumes are extracted from 24,933 job applications for 252 positions designated into four levels of experience for Clinical Research Coordinators (CRC). Each resume is manually annotated to its most appropriate CRC position by experts through several rounds of triple annotation to establish guidelines. As a result, a high Kappa score of 61% is achieved for inter-annotator agreement. Given this dataset, novel transformer-based classification models are developed for two tasks: the first task takes a resume and classifies it to a CRC level (T1), and the second task takes both a resume and a job description to apply and predicts if the application is suited to the job T2. Our best models using section encoding and multi-head attention decoding give results of 73.3% to T1 and 79.2% to T2. Our analysis shows that the prediction errors are mostly made among adjacent CRC levels, which are hard for even experts to distinguish, implying the practical value of our models in real HR platforms.

The correct use of Dutch pronouns 'die' and 'dat' is a stumbling block for both native and non-native speakers of Dutch due to the multiplicity of syntactic functions and the dependency on the antecedent's gender and number. Drawing on previous research conducted on neural context-dependent dt-mistake correction models (Heyman et al. 2018), this study constructs the first neural network model for Dutch demonstrative and relative pronoun resolution that specifically focuses on the correction and part-of-speech prediction of these two pronouns. Two separate datasets are built with sentences obtained from, respectively, the Dutch Europarl corpus (Koehn 2015) - which contains the proceedings of the European Parliament from 1996 to the present - and the SoNaR corpus (Oostdijk et al. 2013) - which contains Dutch texts from a variety of domains such as newspapers, blogs and legal texts. Firstly, a binary classification model solely predicts the correct 'die' or 'dat'. The classifier with a bidirectional long short-term memory architecture achieves 84.56% accuracy. Secondly, a multitask classification model simultaneously predicts the correct 'die' or 'dat' and its part-of-speech tag. The model containing a combination of a sentence and context encoder with both a bidirectional long short-term memory architecture results in 88.63% accuracy for die/dat prediction and 87.73% accuracy for part-of-speech prediction. More evenly-balanced data, larger word embeddings, an extra bidirectional long short-term memory layer and integrated part-of-speech knowledge positively affects die/dat prediction performance, while a context encoder architecture raises part-of-speech prediction performance. This study shows promising results and can serve as a starting point for future research on machine learning models for Dutch anaphora resolution.

Existing deep active learning algorithms achieve impressive sampling efficiency on natural language processing tasks. However, they exhibit several weaknesses in practice, including (a) inability to use uncertainty sampling with black-box models, (b) lack of robustness to labeling noise, and (c) lack of transparency. In response, we propose a transparent batch active sampling framework by estimating the error decay curves of multiple feature-defined subsets of the data. Experiments on four named entity recognition (NER) tasks demonstrate that the proposed methods significantly outperform diversification-based methods for black-box NER taggers, and can make the sampling process more robust to labeling noise when combined with uncertainty-based methods. Furthermore, the analysis of experimental results sheds light on the weaknesses of different active sampling strategies, and when traditional uncertainty-based or diversification-based methods can be expected to work well.

Predicting salient regions in natural images requires the detection of objects that are present in a scene. To develop robust representations for this challenging task, high-level visual features at multiple spatial scales must be extracted and augmented with contextual information. However, existing models aimed at explaining human fixation maps do not incorporate such a mechanism explicitly. Here we propose an approach based on a convolutional neural network pre-trained on a large-scale image classification task. The architecture forms an encoder-decoder structure and includes a module with multiple convolutional layers at different dilation rates to capture multi-scale features in parallel. Moreover, we combine the resulting representations with global scene information for accurately predicting visual saliency. Our model achieves competitive and consistent results across multiple evaluation metrics on two public saliency benchmarks and we demonstrate the effectiveness of the suggested approach on five datasets and selected examples. Compared to state of the art approaches, the network is based on a lightweight image classification backbone and hence presents a suitable choice for applications with limited computational resources, such as (virtual) robotic systems, to estimate human fixations across complex natural scenes.

Current state-of-the-art machine translation systems are based on encoder-decoder architectures, that first encode the input sequence, and then generate an output sequence based on the input encoding. Both are interfaced with an attention mechanism that recombines a fixed encoding of the source tokens based on the decoder state. We propose an alternative approach which instead relies on a single 2D convolutional neural network across both sequences. Each layer of our network re-codes source tokens on the basis of the output sequence produced so far. Attention-like properties are therefore pervasive throughout the network. Our model yields excellent results, outperforming state-of-the-art encoder-decoder systems, while being conceptually simpler and having fewer parameters.

Objective: To transform heterogeneous clinical data from electronic health records into clinically meaningful constructed features using data driven method that rely, in part, on temporal relations among data. Materials and Methods: The clinically meaningful representations of medical concepts and patients are the key for health analytic applications. Most of existing approaches directly construct features mapped to raw data (e.g., ICD or CPT codes), or utilize some ontology mapping such as SNOMED codes. However, none of the existing approaches leverage EHR data directly for learning such concept representation. We propose a new way to represent heterogeneous medical concepts (e.g., diagnoses, medications and procedures) based on co-occurrence patterns in longitudinal electronic health records. The intuition behind the method is to map medical concepts that are co-occuring closely in time to similar concept vectors so that their distance will be small. We also derive a simple method to construct patient vectors from the related medical concept vectors. Results: For qualitative evaluation, we study similar medical concepts across diagnosis, medication and procedure. In quantitative evaluation, our proposed representation significantly improves the predictive modeling performance for onset of heart failure (HF), where classification methods (e.g. logistic regression, neural network, support vector machine and K-nearest neighbors) achieve up to 23% improvement in area under the ROC curve (AUC) using this proposed representation. Conclusion: We proposed an effective method for patient and medical concept representation learning. The resulting representation can map relevant concepts together and also improves predictive modeling performance.

In today's digital age, conspiracies and information campaigns can emerge rapidly and erode social and democratic cohesion. While recent deep learning approaches have made progress in modeling engagement through language and propagation models, they struggle with irregularly sampled data and early trajectory assessment. We present IC-Mamba, a novel state space model that forecasts social media engagement by modeling interval-censored data with integrated temporal embeddings. Our model excels at predicting engagement patterns within the crucial first 15-30 minutes of posting (RMSE 0.118-0.143), enabling rapid assessment of content reach. By incorporating interval-censored modeling into the state space framework, IC-Mamba captures fine-grained temporal dynamics of engagement growth, achieving a 4.72% improvement over state-of-the-art across multiple engagement metrics (likes, shares, comments, and emojis). Our experiments demonstrate IC-Mamba's effectiveness in forecasting both post-level dynamics and broader narrative patterns (F1 0.508-0.751 for narrative-level predictions). The model maintains strong predictive performance across extended time horizons, successfully forecasting opinion-level engagement up to 28 days ahead using observation windows of 3-10 days. These capabilities enable earlier identification of potentially problematic content, providing crucial lead time for designing and implementing countermeasures. Code is available at: https://github.com/ltian678/ic-mamba. An interactive dashboard demonstrating our results is available at: https://ic-mamba.behavioral-ds.science.

How can we predict future interaction trajectories of human hands in a scene given high-level colloquial task specifications in the form of natural language? In this paper, we extend the classic hand trajectory prediction task to two tasks involving explicit or implicit language queries. Our proposed tasks require extensive understanding of human daily activities and reasoning abilities about what should be happening next given cues from the current scene. We also develop new benchmarks to evaluate the proposed two tasks, Vanilla Hand Prediction (VHP) and Reasoning-Based Hand Prediction (RBHP). We enable solving these tasks by integrating high-level world knowledge and reasoning capabilities of Vision-Language Models (VLMs) with the auto-regressive nature of low-level ego-centric hand trajectories. Our model, HandsOnVLM is a novel VLM that can generate textual responses and produce future hand trajectories through natural-language conversations. Our experiments show that HandsOnVLM outperforms existing task-specific methods and other VLM baselines on proposed tasks, and demonstrates its ability to effectively utilize world knowledge for reasoning about low-level human hand trajectories based on the provided context. Our website contains code and detailed video results https://www.chenbao.tech/handsonvlm/

Causal decoder-only transformer models used for generative language modelling, such as Generative Pre-trained Transformers (GPT), are trained to predict the next token in a sequence based only on its previous tokens. Despite this simple training objective, they have proved to be powerful AI tools. However, only predicting the next token results in top layer embedding vectors that are highly token-focused. There may be benefits in generating embedding vectors at each token position that better capture the overall meaning of longer sequences of future text. Recent studies matching brain scans with deep language models suggest that humans also predict upcoming words when listening or reading but consider multiple future tokens rather than just one. This research investigates a new pretraining method called Future Token Prediction (FTP). In FTP, a large transformer encoder generates top layer embedding vectors for each token position, which, instead of being passed to a language head, are linearly and expansively projected to a pseudo-sequence, which is cross attended to by a small transformer decoder to predict the next N tokens forward from that position in the sequence. The top layer embedding vectors from FTP models exhibit distinct properties compared to those from standard GPT models, varying smoothly along a text sequence as measured by cosine similarity between adjacent tokens. Text generated by FTP models show improved topic coherence compared to standard GPT-like models trained with the same prediction perplexity for the next single token. The vectors are shown to better represent the topic of text based on the results of text classification examples. On a toy, but complex, coding problem, FTP networks produce significantly better results than GPT networks.

CPU performance prediction, which involves forecasting the performance scores of a CPU based on its hardware characteristics during its operation, is a critical technology for computational system design and resource management in the big data era. However, this research field currently faces two significant challenges. First, collecting real-world data is challenging due to the wide variety of CPU products on the market and the highly specialized nature of relevant hardware characteristics. In the research process, this field lacks a standard dataset with unified hardware characteristics, wide data coverage, and comprehensive benchmarks. Second, existing methods based on hardware simulation models or machine learning exhibit notable shortcomings, such as lengthy simulation test cycles and low prediction accuracy. To bridge these gaps, we first collect, preprocess, and standardize historical data from the 4th Generation Intel Xeon Scalable Processors across multiple benchmark suites to create a new dataset, named PerfCastDB. Subsequently, we design a deep learning based model called Nova CPU Performance Predictor (NCPP) as the baseline for this new dataset. The NCPP network is designed based on group attention mechanism. It effectively quantifies the implicit relationships between hardware characteristics within and across groups and comprehensively models the impact of various hardware characteristics on CPU performance prediction. We conduct comparative experiments using the proposed PerfCastDB dataset. Compared to existing approaches, NCPP achieves superior evaluation results, demonstrating its effectiveness. Furthermore, we have open-sourced part of the dataset and the NCPP network code to facilitate subsequent research. The resources can be accessed at https://github.com/xiaoman-liu/NCPP.

Ribonucleic acid (RNA) plays a variety of crucial roles in fundamental biological processes. Recently, RNA has become an interesting drug target, emphasizing the need to improve our understanding of its structures and functions. Over the years, sequencing technologies have produced an enormous amount of unlabeled RNA data, which hides important knowledge and potential. Motivated by the successes of protein language models, we introduce RiboNucleic Acid Language Model (RiNALMo) to help unveil the hidden code of RNA. RiNALMo is the largest RNA language model to date with 650 million parameters pre-trained on 36 million non-coding RNA sequences from several available databases. RiNALMo is able to extract hidden knowledge and capture the underlying structure information implicitly embedded within the RNA sequences. RiNALMo achieves state-of-the-art results on several downstream tasks. Notably, we show that its generalization capabilities can overcome the inability of other deep learning methods for secondary structure prediction to generalize on unseen RNA families. The code has been made publicly available on https://github.com/lbcb-sci/RiNALMo.

Dense retrieval has shown promising results in many information retrieval (IR) related tasks, whose foundation is high-quality text representation learning for effective search. Some recent studies have shown that autoencoder-based language models are able to boost the dense retrieval performance using a weak decoder. However, we argue that 1) it is not discriminative to decode all the input texts and, 2) even a weak decoder has the bypass effect on the encoder. Therefore, in this work, we introduce a novel contrastive span prediction task to pre-train the encoder alone, but still retain the bottleneck ability of the autoencoder. % Therefore, in this work, we propose to drop out the decoder and introduce a novel contrastive span prediction task to pre-train the encoder alone. The key idea is to force the encoder to generate the text representation close to its own random spans while far away from others using a group-wise contrastive loss. In this way, we can 1) learn discriminative text representations efficiently with the group-wise contrastive learning over spans and, 2) avoid the bypass effect of the decoder thoroughly. Comprehensive experiments over publicly available retrieval benchmark datasets show that our approach can outperform existing pre-training methods for dense retrieval significantly.

We present Masked Feature Prediction (MaskFeat) for self-supervised pre-training of video models. Our approach first randomly masks out a portion of the input sequence and then predicts the feature of the masked regions. We study five different types of features and find Histograms of Oriented Gradients (HOG), a hand-crafted feature descriptor, works particularly well in terms of both performance and efficiency. We observe that the local contrast normalization in HOG is essential for good results, which is in line with earlier work using HOG for visual recognition. Our approach can learn abundant visual knowledge and drive large-scale Transformer-based models. Without using extra model weights or supervision, MaskFeat pre-trained on unlabeled videos achieves unprecedented results of 86.7% with MViT-L on Kinetics-400, 88.3% on Kinetics-600, 80.4% on Kinetics-700, 39.8 mAP on AVA, and 75.0% on SSv2. MaskFeat further generalizes to image input, which can be interpreted as a video with a single frame and obtains competitive results on ImageNet.

Imitation learning (IL) algorithms have shown promising results for robots to learn skills from expert demonstrations. However, they need multi-task demonstrations to be provided at once for acquiring diverse skills, which is difficult in real world. In this work we study how to realize continual imitation learning ability that empowers robots to continually learn new tasks one by one, thus reducing the burden of multi-task IL and accelerating the process of new task learning at the same time. We propose a novel trajectory generation model that employs both a generative adversarial network and a dynamics-aware prediction model to generate pseudo trajectories from all learned tasks in the new task learning process. Our experiments on both simulation and real-world manipulation tasks demonstrate the effectiveness of our method.

One technique to improve the retrieval effectiveness of a search engine is to expand documents with terms that are related or representative of the documents' content.From the perspective of a question answering system, this might comprise questions the document can potentially answer. Following this observation, we propose a simple method that predicts which queries will be issued for a given document and then expands it with those predictions with a vanilla sequence-to-sequence model, trained using datasets consisting of pairs of query and relevant documents. By combining our method with a highly-effective re-ranking component, we achieve the state of the art in two retrieval tasks. In a latency-critical regime, retrieval results alone (without re-ranking) approach the effectiveness of more computationally expensive neural re-rankers but are much faster.

Advancements in neural machinery have led to a wide range of algorithmic solutions for molecular property prediction. Two classes of models in particular have yielded promising results: neural networks applied to computed molecular fingerprints or expert-crafted descriptors, and graph convolutional neural networks that construct a learned molecular representation by operating on the graph structure of the molecule. However, recent literature has yet to clearly determine which of these two methods is superior when generalizing to new chemical space. Furthermore, prior research has rarely examined these new models in industry research settings in comparison to existing employed models. In this paper, we benchmark models extensively on 19 public and 16 proprietary industrial datasets spanning a wide variety of chemical endpoints. In addition, we introduce a graph convolutional model that consistently matches or outperforms models using fixed molecular descriptors as well as previous graph neural architectures on both public and proprietary datasets. Our empirical findings indicate that while approaches based on these representations have yet to reach the level of experimental reproducibility, our proposed model nevertheless offers significant improvements over models currently used in industrial workflows.

Diffusion models are a new class of generative models, and have dramatically promoted image generation with unprecedented quality and diversity. Existing diffusion models mainly try to reconstruct input image from a corrupted one with a pixel-wise or feature-wise constraint along spatial axes. However, such point-based reconstruction may fail to make each predicted pixel/feature fully preserve its neighborhood context, impairing diffusion-based image synthesis. As a powerful source of automatic supervisory signal, context has been well studied for learning representations. Inspired by this, we for the first time propose ConPreDiff to improve diffusion-based image synthesis with context prediction. We explicitly reinforce each point to predict its neighborhood context (i.e., multi-stride features/tokens/pixels) with a context decoder at the end of diffusion denoising blocks in training stage, and remove the decoder for inference. In this way, each point can better reconstruct itself by preserving its semantic connections with neighborhood context. This new paradigm of ConPreDiff can generalize to arbitrary discrete and continuous diffusion backbones without introducing extra parameters in sampling procedure. Extensive experiments are conducted on unconditional image generation, text-to-image generation and image inpainting tasks. Our ConPreDiff consistently outperforms previous methods and achieves a new SOTA text-to-image generation results on MS-COCO, with a zero-shot FID score of 6.21.

The reliability with Machine Learning (ML) techniques in novel materials discovery often depend on the quality of the dataset, in addition to the relevant features used in describing the material. In this regard, the current study presents and validates a newly processed materials dataset that can be utilized for benchmark ML analysis, as it relates to the prediction and classification of deterministic target properties. Originally, the dataset was extracted from the Open Quantum Materials Database (OQMD) and contains a robust 16,323 samples of ABX3 inorganic perovskite structures. The dataset is tabular in form and is preprocessed to include sixty-one generalized input features that broadly describes the physicochemical, stability/geometrical, and Density Functional Theory (DFT) target properties associated with the elemental ionic sites in a three-dimensional ABX3 polyhedral. For validation, four different ML models are employed to predict three distinctive target properties, namely: formation energy, energy band gap, and crystal system. On experimentation, the best accuracy measurements are reported at 0.013 eV/atom MAE, 0.216 eV MAE, and 85% F1, corresponding to the formation energy prediction, band gap prediction and crystal system multi-classification, respectively. Moreover, the realized results are compared with previous literature and as such, affirms the resourcefulness of the current dataset for future benchmark materials analysis via ML techniques. The preprocessed dataset and source codes are openly available to download from github.com/chenebuah/ML_abx3_dataset.

In recent years, Large Language Models (LLMs) have shown great potential across a wide range of legal tasks. Despite these advances, mitigating hallucination remains a significant challenge, with state-of-the-art LLMs still frequently generating incorrect legal references. In this paper, we focus on the problem of legal citation prediction within the Australian law context, where correctly identifying and citing relevant legislations or precedents is critical. We compare several approaches: prompting general purpose and law-specialised LLMs, retrieval-only pipelines with both generic and domain-specific embeddings, task-specific instruction-tuning of LLMs, and hybrid strategies that combine LLMs with retrieval augmentation, query expansion, or voting ensembles. Our findings indicate that domain-specific pre-training alone is insufficient for achieving satisfactory citation accuracy even after law-specialised pre-training. In contrast, instruction tuning on our task-specific dataset dramatically boosts performance reaching the best results across all settings. We also highlight that database granularity along with the type of embeddings play a critical role in the performance of retrieval systems. Among retrieval-based approaches, hybrid methods consistently outperform retrieval-only setups, and among these, ensemble voting delivers the best result by combining the predictive quality of instruction-tuned LLMs with the retrieval system.

Bank credit risk is a significant challenge in modern financial transactions, and the ability to identify qualified credit card holders among a large number of applicants is crucial for the profitability of a bank'sbank's credit card business. In the past, screening applicants'applicants' conditions often required a significant amount of manual labor, which was time-consuming and labor-intensive. Although the accuracy and reliability of previously used ML models have been continuously improving, the pursuit of more reliable and powerful AI intelligent models is undoubtedly the unremitting pursuit by major banks in the financial industry. In this study, we used a dataset of over 40,000 records provided by a commercial bank as the research object. We compared various dimensionality reduction techniques such as PCA and T-SNE for preprocessing high-dimensional datasets and performed in-depth adaptation and tuning of distributed models such as LightGBM and XGBoost, as well as deep models like Tabnet. After a series of research and processing, we obtained excellent research results by combining SMOTEENN with these techniques. The experiments demonstrated that LightGBM combined with PCA and SMOTEENN techniques can assist banks in accurately predicting potential high-quality customers, showing relatively outstanding performance compared to other models.

Cross-lingual transfer learning has proven useful in a variety of Natural Language Processing (NLP) tasks, but it is understudied in the context of legal NLP, and not at all in Legal Judgment Prediction (LJP). We explore transfer learning techniques on LJP using the trilingual Swiss-Judgment-Prediction dataset, including cases written in three languages. We find that cross-lingual transfer improves the overall results across languages, especially when we use adapter-based fine-tuning. Finally, we further improve the model's performance by augmenting the training dataset with machine-translated versions of the original documents, using a 3x larger training corpus. Further on, we perform an analysis exploring the effect of cross-domain and cross-regional transfer, i.e., train a model across domains (legal areas), or regions. We find that in both settings (legal areas, origin regions), models trained across all groups perform overall better, while they also have improved results in the worst-case scenarios. Finally, we report improved results when we ambitiously apply cross-jurisdiction transfer, where we further augment our dataset with Indian legal cases.

The human driver is no longer the only one concerned with the complexity of the driving scenarios. Autonomous vehicles (AV) are similarly becoming involved in the process. Nowadays, the development of AVs in urban places raises essential safety concerns for vulnerable road users (VRUs) such as pedestrians. Therefore, to make the roads safer, it is critical to classify and predict the pedestrians' future behavior. In this paper, we present a framework based on multiple variations of the Transformer models able to infer predict the pedestrian street-crossing decision-making based on the dynamics of its initiated trajectory. We showed that using solely bounding boxes as input features can outperform the previous state-of-the-art results by reaching a prediction accuracy of 91\% and an F1-score of 0.83 on the PIE dataset. In addition, we introduced a large-size simulated dataset (CP2A) using CARLA for action prediction. Our model has similarly reached high accuracy (91\%) and F1-score (0.91) on this dataset. Interestingly, we showed that pre-training our Transformer model on the CP2A dataset and then fine-tuning it on the PIE dataset is beneficial for the action prediction task. Finally, our model's results are successfully supported by the "human attention to bounding boxes" experiment which we created to test humans ability for pedestrian action prediction without the need for environmental context. The code for the dataset and the models is available at: https://github.com/linaashaji/Action_Anticipation

Building predictive models for robust and accurate prediction of stock prices and stock price movement is a challenging research problem to solve. The well-known efficient market hypothesis believes in the impossibility of accurate prediction of future stock prices in an efficient stock market as the stock prices are assumed to be purely stochastic. However, numerous works proposed by researchers have demonstrated that it is possible to predict future stock prices with a high level of precision using sophisticated algorithms, model architectures, and the selection of appropriate variables in the models. This chapter proposes a collection of predictive regression models built on deep learning architecture for robust and precise prediction of the future prices of a stock listed in the diversified sectors in the National Stock Exchange (NSE) of India. The Metastock tool is used to download the historical stock prices over a period of two years (2013- 2014) at 5 minutes intervals. While the records for the first year are used to train the models, the testing is carried out using the remaining records. The design approaches of all the models and their performance results are presented in detail. The models are also compared based on their execution time and accuracy of prediction.

Over the past several years, across the globe, there has been an increase in people seeking care in emergency departments (EDs). ED resources, including nurse staffing, are strained by such increases in patient volume. Accurate forecasting of incoming patient volume in emergency departments (ED) is crucial for efficient utilization and allocation of ED resources. Working with a suburban ED in the Pacific Northwest, we developed a tool powered by machine learning models, to forecast ED arrivals and ED patient volume to assist end-users, such as ED nurses, in resource allocation. In this paper, we discuss the results from our predictive models, the challenges, and the learnings from users' experiences with the tool in active clinical deployment in a real world setting.

Discovering the underlying physical behavior of complex systems is a crucial, but less well-understood topic in many engineering disciplines. This study proposes a finite-difference inspired convolutional neural network framework to learn hidden partial differential equations from given data and iteratively estimate future dynamical behavior. The methodology designs the filter sizes such that they mimic the finite difference between the neighboring points. By learning the governing equation, the network predicts the future evolution of the solution by using only a few trainable parameters. In this paper, we provide numerical results to compare the efficiency of the second-order Trust-Region Conjugate Gradient (TRCG) method with the first-order ADAM optimizer.

Recently video generation has achieved substantial progress with realistic results. Nevertheless, existing AI-generated videos are usually very short clips ("shot-level") depicting a single scene. To deliver a coherent long video ("story-level"), it is desirable to have creative transition and prediction effects across different clips. This paper presents a short-to-long video diffusion model, SEINE, that focuses on generative transition and prediction. The goal is to generate high-quality long videos with smooth and creative transitions between scenes and varying lengths of shot-level videos. Specifically, we propose a random-mask video diffusion model to automatically generate transitions based on textual descriptions. By providing the images of different scenes as inputs, combined with text-based control, our model generates transition videos that ensure coherence and visual quality. Furthermore, the model can be readily extended to various tasks such as image-to-video animation and autoregressive video prediction. To conduct a comprehensive evaluation of this new generative task, we propose three assessing criteria for smooth and creative transition: temporal consistency, semantic similarity, and video-text semantic alignment. Extensive experiments validate the effectiveness of our approach over existing methods for generative transition and prediction, enabling the creation of story-level long videos. Project page: https://vchitect.github.io/SEINE-project/ .

Best-of-N (BoN) Average Displacement Error (ADE)/ Final Displacement Error (FDE) is the most used metric for evaluating trajectory prediction models. Yet, the BoN does not quantify the whole generated samples, resulting in an incomplete view of the model's prediction quality and performance. We propose a new metric, Average Mahalanobis Distance (AMD) to tackle this issue. AMD is a metric that quantifies how close the whole generated samples are to the ground truth. We also introduce the Average Maximum Eigenvalue (AMV) metric that quantifies the overall spread of the predictions. Our metrics are validated empirically by showing that the ADE/FDE is not sensitive to distribution shifts, giving a biased sense of accuracy, unlike the AMD/AMV metrics. We introduce the usage of Implicit Maximum Likelihood Estimation (IMLE) as a replacement for traditional generative models to train our model, Social-Implicit. IMLE training mechanism aligns with AMD/AMV objective of predicting trajectories that are close to the ground truth with a tight spread. Social-Implicit is a memory efficient deep model with only 5.8K parameters that runs in real time of about 580Hz and achieves competitive results. Interactive demo of the problem can be seen at https://www.abduallahmohamed.com/social-implicit-amdamv-adefde-demo . Code is available at https://github.com/abduallahmohamed/Social-Implicit .

Category-Agnostic Pose Estimation (CAPE) localizes keypoints across diverse object categories with a single model, using one or a few annotated support images. Recent works have shown that using a pose graph (i.e., treating keypoints as nodes in a graph rather than isolated points) helps handle occlusions and break symmetry. However, these methods assume a static pose graph with equal-weight edges, leading to suboptimal results. We introduce EdgeCape, a novel framework that overcomes these limitations by predicting the graph's edge weights which optimizes localization. To further leverage structural priors, we propose integrating Markovian Structural Bias, which modulates the self-attention interaction between nodes based on the number of hops between them. We show that this improves the model's ability to capture global spatial dependencies. Evaluated on the MP-100 benchmark, which includes 100 categories and over 20K images, EdgeCape achieves state-of-the-art results in the 1-shot setting and leads among similar-sized methods in the 5-shot setting, significantly improving keypoint localization accuracy. Our code is publicly available.

Gathering histopathology slides from over 100 publicly available cohorts, we compile a diverse dataset of 460 million pathology tiles covering more than 30 cancer sites. Using this dataset, we train a large self-supervised vision transformer using DINOv2 and publicly release one iteration of this model for further experimentation, coined Phikon-v2. While trained on publicly available histology slides, Phikon-v2 surpasses our previously released model (Phikon) and performs on par with other histopathology foundation models (FM) trained on proprietary data. Our benchmarks include eight slide-level tasks with results reported on external validation cohorts avoiding any data contamination between pre-training and evaluation datasets. Our downstream training procedure follows a simple yet robust ensembling strategy yielding a +1.75 AUC increase across tasks and models compared to one-shot retraining (p<0.001). We compare Phikon (ViT-B) and Phikon-v2 (ViT-L) against 14 different histology feature extractors, making our evaluation the most comprehensive to date. Our result support evidences that DINOv2 handles joint model and data scaling better than iBOT. Also, we show that recent scaling efforts are overall beneficial to downstream performance in the context of biomarker prediction with GigaPath and H-Optimus-0 (two ViT-g with 1.1B parameters each) standing out. However, the statistical margins between the latest top-performing FMs remain mostly non-significant; some even underperform on specific indications or tasks such as MSI prediction - deposed by a 13x smaller model developed internally. While latest foundation models may exhibit limitations for clinical deployment, they nonetheless offer excellent grounds for the development of more specialized and cost-efficient histology encoders fueling AI-guided diagnostic tools.

As 5G technology becomes increasingly established, the anticipation for 6G is growing, which promises to deliver faster and more reliable wireless connections via cutting-edge radio technologies. However, efficient management method of the large-scale antenna arrays deployed by those radio technologies is crucial. Traditional management methods are mainly reactive, usually based on feedback from users to adapt to the dynamic wireless channel. However, a more promising approach lies in the prediction of spatial channel state information (spatial-CSI), which is an all-inclusive channel characterization and consists of all the feasible line-of-sight (LoS) and non-line-of-sight (NLoS) paths between the transmitter (Tx) and receiver (Rx), with the three-dimension (3D) trajectory, attenuation, phase shift, delay, and polarization of each path. Advances in hardware and neural networks make it possible to predict such spatial-CSI using precise environmental information, and further look into the possibility of holographic communication, which implies complete control over every aspect of the radio waves emitted. Based on the integration of holographic communication and digital twin, we proposed a new framework, digital radio twin, which takes advantages from both the digital world and deterministic control over radio waves, supporting a wide range of high-level applications. As a preliminary attempt towards this visionary direction, in this paper, we explore the use of generative artificial intelligence (AI) to pinpoint the valid paths in a given environment, demonstrating promising results, and highlighting the potential of this approach in driving forward the evolution of 6G wireless communication technologies.

Battery degradation remains a critical challenge in the pursuit of green technologies and sustainable energy solutions. Despite significant research efforts, predicting battery capacity loss accurately remains a formidable task due to its complex nature, influenced by both aging and cycling behaviors. To address this challenge, we introduce a novel general-purpose model for battery degradation prediction and synthesis, DiffBatt. Leveraging an innovative combination of conditional and unconditional diffusion models with classifier-free guidance and transformer architecture, DiffBatt achieves high expressivity and scalability. DiffBatt operates as a probabilistic model to capture uncertainty in aging behaviors and a generative model to simulate battery degradation. The performance of the model excels in prediction tasks while also enabling the generation of synthetic degradation curves, facilitating enhanced model training by data augmentation. In the remaining useful life prediction task, DiffBatt provides accurate results with a mean RMSE of 196 cycles across all datasets, outperforming all other models and demonstrating superior generalizability. This work represents an important step towards developing foundational models for battery degradation.

Recently, State Space Models (SSMs) with efficient hardware-aware designs, i.e., Mamba, have demonstrated significant potential in computer vision tasks due to their linear computational complexity with respect to token length and their global receptive field. However, Mamba's performance on dense prediction tasks, including human pose estimation and semantic segmentation, has been constrained by three key challenges: insufficient inductive bias, long-range forgetting, and low-resolution output representation. To address these challenges, we introduce the Dynamic Visual State Space (DVSS) block, which utilizes multi-scale convolutional kernels to extract local features across different scales and enhance inductive bias, and employs deformable convolution to mitigate the long-range forgetting problem while enabling adaptive spatial aggregation based on input and task-specific information. By leveraging the multi-resolution parallel design proposed in HRNet, we introduce High-Resolution Visual State Space Model (HRVMamba) based on the DVSS block, which preserves high-resolution representations throughout the entire process while promoting effective multi-scale feature learning. Extensive experiments highlight HRVMamba's impressive performance on dense prediction tasks, achieving competitive results against existing benchmark models without bells and whistles. Code is available at https://github.com/zhanghao5201/HRVMamba.

Our study focuses on comparing the performance and resource requirements between different Long Short-Term Memory (LSTM) neural network architectures and an ANN specialized architecture for forex market prediction. We analyze the execution time of the models as well as the resources consumed, such as memory and computational power. Our aim is to demonstrate that the specialized architecture not only achieves better results in forex market prediction but also executes using fewer resources and in a shorter time frame compared to LSTM architectures. This comparative analysis will provide significant insights into the suitability of these two types of architectures for time series prediction in the forex market environment.

Conformal prediction (CP) for regression can be challenging, especially when the output distribution is heteroscedastic, multimodal, or skewed. Some of the issues can be addressed by estimating a distribution over the output, but in reality, such approaches can be sensitive to estimation error and yield unstable intervals.~Here, we circumvent the challenges by converting regression to a classification problem and then use CP for classification to obtain CP sets for regression.~To preserve the ordering of the continuous-output space, we design a new loss function and make necessary modifications to the CP classification techniques.~Empirical results on many benchmarks shows that this simple approach gives surprisingly good results on many practical problems.

As the development of cities, traffic congestion becomes an increasingly pressing issue, and traffic prediction is a classic method to relieve that issue. Traffic prediction is one specific application of spatio-temporal prediction learning, like taxi scheduling, weather prediction, and ship trajectory prediction. Against these problems, classical spatio-temporal prediction learning methods including deep learning, require large amounts of training data. In reality, some newly developed cities with insufficient sensors would not hold that assumption, and the data scarcity makes predictive performance worse. In such situation, the learning method on insufficient data is known as few-shot learning (FSL), and the FSL of traffic prediction remains challenges. On the one hand, graph structures' irregularity and dynamic nature of graphs cannot hold the performance of spatio-temporal learning method. On the other hand, conventional domain adaptation methods cannot work well on insufficient training data, when transferring knowledge from different domains to the intended target domain.To address these challenges, we propose a novel spatio-temporal domain adaptation (STDA) method that learns transferable spatio-temporal meta-knowledge from data-sufficient cities in an adversarial manner. This learned meta-knowledge can improve the prediction performance of data-scarce cities. Specifically, we train the STDA model using a Model-Agnostic Meta-Learning (MAML) based episode learning process, which is a model-agnostic meta-learning framework that enables the model to solve new learning tasks using only a small number of training samples. We conduct numerous experiments on four traffic prediction datasets, and our results show that the prediction performance of our model has improved by 7\% compared to baseline models on the two metrics of MAE and RMSE.

User churn, characterized by customers ending their relationship with a business, has profound economic consequences across various Business-to-Customer scenarios. For numerous system-to-user actions, such as promotional discounts and retention campaigns, predicting potential churners stands as a primary objective. In volatile sectors like fantasy sports, unpredictable factors such as international sports events can influence even regular spending habits. Consequently, while transaction history and user-product interaction are valuable in predicting churn, they demand deep domain knowledge and intricate feature engineering. Additionally, feature development for churn prediction systems can be resource-intensive, particularly in production settings serving 200m+ users, where inference pipelines largely focus on feature engineering. This paper conducts an exhaustive study on predicting user churn using historical data. We aim to create a model forecasting customer churn likelihood, facilitating businesses in comprehending attrition trends and formulating effective retention plans. Our approach treats churn prediction as multivariate time series classification, demonstrating that combining user activity and deep neural networks yields remarkable results for churn prediction in complex business-to-customer contexts.

Large pre-trained neural language models have brought immense progress to both NLP and software engineering. Models in OpenAI's GPT series now dwarf Google's BERT and Meta's RoBERTa, which previously set new benchmarks on a wide range of NLP applications. These models are trained on massive corpora of heterogeneous data from web crawls, which enables them to learn general language patterns and semantic relationships. However, the largest models are both expensive to train and deploy and are often closed-source, so we lack access to their data and design decisions. We argue that this trend towards large, general-purpose models should be complemented with single-purpose, more modestly sized pre-trained models. In this work, we take StackOverflow (SO) as a domain example in which large volumes of rich aligned code and text data is available. We adopt standard practices for pre-training large language models, including using a very large context size (2,048 tokens), batch size (0.5M tokens) and training set (27B tokens), coupled with a powerful toolkit (Megatron-LM), to train two models: SOBertBase, with 109M parameters, and SOBertLarge with 762M parameters, at a budget of just 187 and \800 each. We compare the performance of our models with both the previous SOTA model trained on SO data exclusively as well general-purpose BERT models and OpenAI's ChatGPT on four SO-specific downstream tasks - question quality prediction, closed question prediction, named entity recognition and obsoletion prediction (a new task we introduce). Not only do our models consistently outperform all baselines, the smaller model is often sufficient for strong results. Both models are released to the public. These results demonstrate that pre-training both extensively and properly on in-domain data can yield a powerful and affordable alternative to leveraging closed-source general-purpose models.

There have been many recent investigations into prompt-based training of transformer language models for new text genres in low-resource settings. The prompt-based training approach has been found to be effective in generalizing pre-trained or fine-tuned models for transfer to resource-scarce settings. This work, for the first time, reports results on adopting prompt-based training of transformers for scholarly knowledge graph object prediction. The work is unique in the following two main aspects. 1) It deviates from the other works proposing entity and relation extraction pipelines for predicting objects of a scholarly knowledge graph. 2) While other works have tested the method on text genera relatively close to the general knowledge domain, we test the method for a significantly different domain, i.e. scholarly knowledge, in turn testing the linguistic, probabilistic, and factual generalizability of these large-scale transformer models. We find that (i) per expectations, transformer models when tested out-of-the-box underperform on a new domain of data, (ii) prompt-based training of the models achieve performance boosts of up to 40\% in a relaxed evaluation setting, and (iii) testing the models on a starkly different domain even with a clever training objective in a low resource setting makes evident the domain knowledge capture gap offering an empirically-verified incentive for investing more attention and resources to the scholarly domain in the context of transformer models.

Predicting and anticipating future outcomes or reasoning about missing information in a sequence are critical skills for agents to be able to make intelligent decisions. This requires strong, temporally coherent generative capabilities. Diffusion models have shown remarkable success in several generative tasks, but have not been extensively explored in the video domain. We present Random-Mask Video Diffusion (RaMViD), which extends image diffusion models to videos using 3D convolutions, and introduces a new conditioning technique during training. By varying the mask we condition on, the model is able to perform video prediction, infilling, and upsampling. Due to our simple conditioning scheme, we can utilize the same architecture as used for unconditional training, which allows us to train the model in a conditional and unconditional fashion at the same time. We evaluate RaMViD on two benchmark datasets for video prediction, on which we achieve state-of-the-art results, and one for video generation. High-resolution videos are provided at https://sites.google.com/view/video-diffusion-prediction.

In this paper, we focus on image inpainting task, aiming at recovering the missing area of an incomplete image given the context information. Recent development in deep generative models enables an efficient end-to-end framework for image synthesis and inpainting tasks, but existing methods based on generative models don't exploit the segmentation information to constrain the object shapes, which usually lead to blurry results on the boundary. To tackle this problem, we propose to introduce the semantic segmentation information, which disentangles the inter-class difference and intra-class variation for image inpainting. This leads to much clearer recovered boundary between semantically different regions and better texture within semantically consistent segments. Our model factorizes the image inpainting process into segmentation prediction (SP-Net) and segmentation guidance (SG-Net) as two steps, which predict the segmentation labels in the missing area first, and then generate segmentation guided inpainting results. Experiments on multiple public datasets show that our approach outperforms existing methods in optimizing the image inpainting quality, and the interactive segmentation guidance provides possibilities for multi-modal predictions of image inpainting.

Prediction of future movement of stock prices has been a subject matter of many research work. There is a gamut of literature of technical analysis of stock prices where the objective is to identify patterns in stock price movements and derive profit from it. Improving the prediction accuracy remains the single most challenge in this area of research. We propose a hybrid approach for stock price movement prediction using machine learning, deep learning, and natural language processing. We select the NIFTY 50 index values of the National Stock Exchange of India, and collect its daily price movement over a period of three years (2015 to 2017). Based on the data of 2015 to 2017, we build various predictive models using machine learning, and then use those models to predict the closing value of NIFTY 50 for the period January 2018 till June 2019 with a prediction horizon of one week. For predicting the price movement patterns, we use a number of classification techniques, while for predicting the actual closing price of the stock, various regression models have been used. We also build a Long and Short-Term Memory - based deep learning network for predicting the closing price of the stocks and compare the prediction accuracies of the machine learning models with the LSTM model. We further augment the predictive model by integrating a sentiment analysis module on twitter data to correlate the public sentiment of stock prices with the market sentiment. This has been done using twitter sentiment and previous week closing values to predict stock price movement for the next week. We tested our proposed scheme using a cross validation method based on Self Organizing Fuzzy Neural Networks and found extremely interesting results.

Large language models such as GPT and Llama are trained with a next-token prediction loss. In this work, we suggest that training language models to predict multiple future tokens at once results in higher sample efficiency. More specifically, at each position in the training corpus, we ask the model to predict the following n tokens using n independent output heads, operating on top of a shared model trunk. Considering multi-token prediction as an auxiliary training task, we measure improved downstream capabilities with no overhead in training time for both code and natural language models. The method is increasingly useful for larger model sizes, and keeps its appeal when training for multiple epochs. Gains are especially pronounced on generative benchmarks like coding, where our models consistently outperform strong baselines by several percentage points. Our 13B parameter models solves 12 % more problems on HumanEval and 17 % more on MBPP than comparable next-token models. Experiments on small algorithmic tasks demonstrate that multi-token prediction is favorable for the development of induction heads and algorithmic reasoning capabilities. As an additional benefit, models trained with 4-token prediction are up to 3 times faster at inference, even with large batch sizes.

As language models scale up, it becomes increasingly expensive to verify research ideas because conclusions on small models do not trivially transfer to large ones. A possible solution is to establish a generic system that directly predicts some metrics for large models solely based on the results and hyperparameters from small models. Existing methods based on scaling laws require hyperparameter search on the largest models, which is impractical with limited resources. We address this issue by presenting our discoveries indicating that Maximal Update parametrization (Mup) enables accurate fitting of scaling laws for hyperparameters close to common loss basins, without any search. Thus, different models can be directly compared on large scales with loss prediction even before the training starts. We propose a new paradigm as a first step towards reliable academic research for any model scale without heavy computation. Code is publicly available at https://github.com/cofe-ai/Mu-scaling.

This work challenges the residual prediction paradigm in visual autoregressive modeling and presents FlexVAR, a new Flexible Visual AutoRegressive image generation paradigm. FlexVAR facilitates autoregressive learning with ground-truth prediction, enabling each step to independently produce plausible images. This simple, intuitive approach swiftly learns visual distributions and makes the generation process more flexible and adaptable. Trained solely on low-resolution images (leq 256px), FlexVAR can: (1) Generate images of various resolutions and aspect ratios, even exceeding the resolution of the training images. (2) Support various image-to-image tasks, including image refinement, in/out-painting, and image expansion. (3) Adapt to various autoregressive steps, allowing for faster inference with fewer steps or enhancing image quality with more steps. Our 1.0B model outperforms its VAR counterpart on the ImageNet 256times256 benchmark. Moreover, when zero-shot transfer the image generation process with 13 steps, the performance further improves to 2.08 FID, outperforming state-of-the-art autoregressive models AiM/VAR by 0.25/0.28 FID and popular diffusion models LDM/DiT by 1.52/0.19 FID, respectively. When transferring our 1.0B model to the ImageNet 512times512 benchmark in a zero-shot manner, FlexVAR achieves competitive results compared to the VAR 2.3B model, which is a fully supervised model trained at 512times512 resolution.

The pulp and paper manufacturing industry requires precise quality control to ensure pure, contaminant-free end products suitable for various applications. Fungal spore concentration is a crucial metric that affects paper usability, and current testing methods are labor-intensive with delayed results, hindering real-time control strategies. To address this, a machine learning algorithm utilizing time-series data and domain knowledge was proposed. The optimal model employed Ridge Regression achieving an MSE of 2.90 on training and validation data. This approach could lead to significant improvements in efficiency and sustainability by providing real-time predictions for fungal spore concentrations. This paper showcases a promising method for real-time fungal spore concentration prediction, enabling stringent quality control measures in the pulp-and-paper industry.

Argumentation is one of society's foundational pillars, and, sparked by advances in NLP and the vast availability of text data, automated mining of arguments receives increasing attention. A decisive property of arguments is their strength or quality. While there are works on the automated estimation of argument strength, their scope is narrow: they focus on isolated datasets and neglect the interactions with related argument mining tasks, such as argument identification, evidence detection, or emotional appeal. In this work, we close this gap by approaching argument quality estimation from multiple different angles: Grounded on rich results from thorough empirical evaluations, we assess the generalization capabilities of argument quality estimation across diverse domains, the interplay with related argument mining tasks, and the impact of emotions on perceived argument strength. We find that generalization depends on a sufficient representation of different domains in the training part. In zero-shot transfer and multi-task experiments, we reveal that argument quality is among the more challenging tasks but can improve others. Finally, we show that emotions play a minor role in argument quality than is often assumed.

To reject the Efficient Market Hypothesis a set of 5 technical indicators and 23 fundamental indicators was identified to establish the possibility of generating excess returns on the stock market. Leveraging these data points and various classification machine learning models, trading data of the 505 equities on the US S&P500 over the past 20 years was analysed to develop a classifier effective for our cause. From any given day, we were able to predict the direction of change in price by 1% up to 10 days in the future. The predictions had an overall accuracy of 83.62% with a precision of 85% for buy signals and a recall of 100% for sell signals. Moreover, we grouped equities by their sector and repeated the experiment to see if grouping similar assets together positively effected the results but concluded that it showed no significant improvements in the performance rejecting the idea of sector-based analysis. Also, using feature ranking we could identify an even smaller set of 6 indicators while maintaining similar accuracies as that from the original 28 features and also uncovered the importance of buy, hold and sell analyst ratings as they came out to be the top contributors in the model. Finally, to evaluate the effectiveness of the classifier in real-life situations, it was backtested on FAANG equities using a modest trading strategy where it generated high returns of above 60% over the term of the testing dataset. In conclusion, our proposed methodology with the combination of purposefully picked features shows an improvement over the previous studies, and our model predicts the direction of 1% price changes on the 10th day with high confidence and with enough buffer to even build a robotic trading system.

Discovering the underlying behavior of complex systems is an important topic in many science and engineering disciplines. In this paper, we propose a novel neural network framework, finite difference neural networks (FDNet), to learn partial differential equations from data. Specifically, our proposed finite difference inspired network is designed to learn the underlying governing partial differential equations from trajectory data, and to iteratively estimate the future dynamical behavior using only a few trainable parameters. We illustrate the performance (predictive power) of our framework on the heat equation, with and without noise and/or forcing, and compare our results to the Forward Euler method. Moreover, we show the advantages of using a Hessian-Free Trust Region method to train the network.

Measuring the morphological parameters of galaxies is a key requirement for studying their formation and evolution. Surveys such as the Sloan Digital Sky Survey (SDSS) have resulted in the availability of very large collections of images, which have permitted population-wide analyses of galaxy morphology. Morphological analysis has traditionally been carried out mostly via visual inspection by trained experts, which is time-consuming and does not scale to large (gtrsim10^4) numbers of images. Although attempts have been made to build automated classification systems, these have not been able to achieve the desired level of accuracy. The Galaxy Zoo project successfully applied a crowdsourcing strategy, inviting online users to classify images by answering a series of questions. Unfortunately, even this approach does not scale well enough to keep up with the increasing availability of galaxy images. We present a deep neural network model for galaxy morphology classification which exploits translational and rotational symmetry. It was developed in the context of the Galaxy Challenge, an international competition to build the best model for morphology classification based on annotated images from the Galaxy Zoo project. For images with high agreement among the Galaxy Zoo participants, our model is able to reproduce their consensus with near-perfect accuracy (> 99%) for most questions. Confident model predictions are highly accurate, which makes the model suitable for filtering large collections of images and forwarding challenging images to experts for manual annotation. This approach greatly reduces the experts' workload without affecting accuracy. The application of these algorithms to larger sets of training data will be critical for analysing results from future surveys such as the LSST.

Recipe generation from food images and ingredients is a challenging task, which requires the interpretation of the information from another modality. Different from the image captioning task, where the captions usually have one sentence, cooking instructions contain multiple sentences and have obvious structures. To help the model capture the recipe structure and avoid missing some cooking details, we propose a novel framework: Decomposing Generation Networks (DGN) with structure prediction, to get more structured and complete recipe generation outputs. Specifically, we split each cooking instruction into several phases, and assign different sub-generators to each phase. Our approach includes two novel ideas: (i) learning the recipe structures with the global structure prediction component and (ii) producing recipe phases in the sub-generator output component based on the predicted structure. Extensive experiments on the challenging large-scale Recipe1M dataset validate the effectiveness of our proposed model, which improves the performance over the state-of-the-art results.

Semantic answer type prediction (SMART) is known to be a useful step towards effective question answering (QA) systems. The SMART task involves predicting the top-k knowledge graph (KG) types for a given natural language question. This is challenging due to the large number of types in KGs. In this paper, we propose use of extreme multi-label classification using Transformer models (XBERT) by clustering KG types using structural and semantic features based on question text. We specifically improve the clustering stage of the XBERT pipeline using textual and structural features derived from KGs. We show that these features can improve end-to-end performance for the SMART task, and yield state-of-the-art results.

Motivated by the success of Transformers when applied to sequences of discrete symbols, token-based world models (TBWMs) were recently proposed as sample-efficient methods. In TBWMs, the world model consumes agent experience as a language-like sequence of tokens, where each observation constitutes a sub-sequence. However, during imagination, the sequential token-by-token generation of next observations results in a severe bottleneck, leading to long training times, poor GPU utilization, and limited representations. To resolve this bottleneck, we devise a novel Parallel Observation Prediction (POP) mechanism. POP augments a Retentive Network (RetNet) with a novel forward mode tailored to our reinforcement learning setting. We incorporate POP in a novel TBWM agent named REM (Retentive Environment Model), showcasing a 15.4x faster imagination compared to prior TBWMs. REM attains superhuman performance on 12 out of 26 games of the Atari 100K benchmark, while training in less than 12 hours. Our code is available at https://github.com/leor-c/REM.

In this paper, we propose the first framework that enables solving graph learning tasks of all levels (node, edge and graph) and all types (generation, regression and classification) with one model. We first propose Latent Graph Diffusion (LGD), a generative model that can generate node, edge, and graph-level features of all categories simultaneously. We achieve this goal by embedding the graph structures and features into a latent space leveraging a powerful encoder which can also be decoded, then training a diffusion model in the latent space. LGD is also capable of conditional generation through a specifically designed cross-attention mechanism. Then we formulate prediction tasks including regression and classification as (conditional) generation, which enables our LGD to solve tasks of all levels and all types with provable guarantees. We verify the effectiveness of our framework with extensive experiments, where our models achieve state-of-the-art or highly competitive results across generation and regression tasks.

Generative approaches have significantly influenced Aspect-Based Sentiment Analysis (ABSA), garnering considerable attention. However, existing studies often predict target text components monolithically, neglecting the benefits of utilizing single elements for tuple prediction. In this paper, we introduce Element to Tuple Prompting (E2TP), employing a two-step architecture. The former step focuses on predicting single elements, while the latter step completes the process by mapping these predicted elements to their corresponding tuples. E2TP is inspired by human problem-solving, breaking down tasks into manageable parts, using the first step's output as a guide in the second step. Within this strategy, three types of paradigms, namely E2TP(diet), E2TP(f_1), and E2TP(f_2), are designed to facilitate the training process. Beyond dataset-specific experiments, our paper addresses cross-domain scenarios, demonstrating the effectiveness and generalizability of the approach. By conducting a comprehensive analysis on various benchmarks, we show that E2TP achieves new state-of-the-art results in nearly all cases.

Retrosynthesis planning poses a formidable challenge in the organic chemical industry, particularly in pharmaceuticals. Single-step retrosynthesis prediction, a crucial step in the planning process, has witnessed a surge in interest in recent years due to advancements in AI for science. Various deep learning-based methods have been proposed for this task in recent years, incorporating diverse levels of additional chemical knowledge dependency. This paper introduces UAlign, a template-free graph-to-sequence pipeline for retrosynthesis prediction. By combining graph neural networks and Transformers, our method can more effectively leverage the inherent graph structure of molecules. Based on the fact that the majority of molecule structures remain unchanged during a chemical reaction, we propose a simple yet effective SMILES alignment technique to facilitate the reuse of unchanged structures for reactant generation. Extensive experiments show that our method substantially outperforms state-of-the-art template-free and semi-template-based approaches. Importantly, Our template-free method achieves effectiveness comparable to, or even surpasses, established powerful template-based methods. Scientific contribution: We present a novel graph-to-sequence template-free retrosynthesis prediction pipeline that overcomes the limitations of Transformer-based methods in molecular representation learning and insufficient utilization of chemical information. We propose an unsupervised learning mechanism for establishing product-atom correspondence with reactant SMILES tokens, achieving even better results than supervised SMILES alignment methods. Extensive experiments demonstrate that UAlign significantly outperforms state-of-the-art template-free methods and rivals or surpasses template-based approaches, with up to 5\% (top-5) and 5.4\% (top-10) increased accuracy over the strongest baseline.

Quantum reservoir computing is strongly emerging for sequential and time series data prediction in quantum machine learning. We make advancements to the quantum noise-induced reservoir, in which reservoir noise is used as a resource to generate expressive, nonlinear signals that are efficiently learned with a single linear output layer. We address the need for quantum reservoir tuning with a novel and generally applicable approach to quantum circuit parameterization, in which tunable noise models are programmed to the quantum reservoir circuit to be fully controlled for effective optimization. Our systematic approach also involves reductions in quantum reservoir circuits in the number of qubits and entanglement scheme complexity. We show that with only a single noise model and small memory capacities, excellent simulation results were obtained on nonlinear benchmarks that include the Mackey-Glass system for 100 steps ahead in the challenging chaotic regime.

Gaze following and social gaze prediction are fundamental tasks providing insights into human communication behaviors, intent, and social interactions. Most previous approaches addressed these tasks separately, either by designing highly specialized social gaze models that do not generalize to other social gaze tasks or by considering social gaze inference as an ad-hoc post-processing of the gaze following task. Furthermore, the vast majority of gaze following approaches have proposed static models that can handle only one person at a time, therefore failing to take advantage of social interactions and temporal dynamics. In this paper, we address these limitations and introduce a novel framework to jointly predict the gaze target and social gaze label for all people in the scene. The framework comprises of: (i) a temporal, transformer-based architecture that, in addition to image tokens, handles person-specific tokens capturing the gaze information related to each individual; (ii) a new dataset, VSGaze, that unifies annotation types across multiple gaze following and social gaze datasets. We show that our model trained on VSGaze can address all tasks jointly, and achieves state-of-the-art results for multi-person gaze following and social gaze prediction.

Accurate prediction of Drug-Target Affinity (DTA) is of vital importance in early-stage drug discovery, facilitating the identification of drugs that can effectively interact with specific targets and regulate their activities. While wet experiments remain the most reliable method, they are time-consuming and resource-intensive, resulting in limited data availability that poses challenges for deep learning approaches. Existing methods have primarily focused on developing techniques based on the available DTA data, without adequately addressing the data scarcity issue. To overcome this challenge, we present the SSM-DTA framework, which incorporates three simple yet highly effective strategies: (1) A multi-task training approach that combines DTA prediction with masked language modeling (MLM) using paired drug-target data. (2) A semi-supervised training method that leverages large-scale unpaired molecules and proteins to enhance drug and target representations. This approach differs from previous methods that only employed molecules or proteins in pre-training. (3) The integration of a lightweight cross-attention module to improve the interaction between drugs and targets, further enhancing prediction accuracy. Through extensive experiments on benchmark datasets such as BindingDB, DAVIS, and KIBA, we demonstrate the superior performance of our framework. Additionally, we conduct case studies on specific drug-target binding activities, virtual screening experiments, drug feature visualizations, and real-world applications, all of which showcase the significant potential of our work. In conclusion, our proposed SSM-DTA framework addresses the data limitation challenge in DTA prediction and yields promising results, paving the way for more efficient and accurate drug discovery processes. Our code is available at https://github.com/QizhiPei/SSM-DTA{Github}.

Click-through rate prediction is one of the core tasks in commercial recommender systems. It aims to predict the probability of a user clicking a particular item given user and item features. As feature interactions bring in non-linearity, they are widely adopted to improve the performance of CTR prediction models. Therefore, effectively modelling feature interactions has attracted much attention in both the research and industry field. The current approaches can generally be categorized into three classes: (1) na\"ive methods, which do not model feature interactions and only use original features; (2) memorized methods, which memorize feature interactions by explicitly viewing them as new features and assigning trainable embeddings; (3) factorized methods, which learn latent vectors for original features and implicitly model feature interactions through factorization functions. Studies have shown that modelling feature interactions by one of these methods alone are suboptimal due to the unique characteristics of different feature interactions. To address this issue, we first propose a general framework called OptInter which finds the most suitable modelling method for each feature interaction. Different state-of-the-art deep CTR models can be viewed as instances of OptInter. To realize the functionality of OptInter, we also introduce a learning algorithm that automatically searches for the optimal modelling method. We conduct extensive experiments on four large datasets. Our experiments show that OptInter improves the best performed state-of-the-art baseline deep CTR models by up to 2.21%. Compared to the memorized method, which also outperforms baselines, we reduce up to 91% parameters. In addition, we conduct several ablation studies to investigate the influence of different components of OptInter. Finally, we provide interpretable discussions on the results of OptInter.

In this study, we propose a multi branched network approach to predict the dynamics of a physics attractor characterized by intricate and chaotic behavior. We introduce a unique neural network architecture comprised of Radial Basis Function (RBF) layers combined with an attention mechanism designed to effectively capture nonlinear inter-dependencies inherent in the attractor's temporal evolution. Our results demonstrate successful prediction of the attractor's trajectory across 100 predictions made using a real-world dataset of 36,700 time-series observations encompassing approximately 28 minutes of activity. To further illustrate the performance of our proposed technique, we provide comprehensive visualizations depicting the attractor's original and predicted behaviors alongside quantitative measures comparing observed versus estimated outcomes. Overall, this work showcases the potential of advanced machine learning algorithms in elucidating hidden structures in complex physical systems while offering practical applications in various domains requiring accurate short-term forecasting capabilities.

Emotion regulation is a crucial element in dealing with emotional events and has positive effects on mental health. This paper aims to provide a more comprehensive understanding of emotional events by introducing a new French corpus of emotional narratives collected using a questionnaire for emotion regulation. We follow the theoretical framework of the Component Process Model which considers emotions as dynamic processes composed of four interrelated components (behavior, feeling, thinking and territory). Each narrative is related to a discrete emotion and is structured based on all emotion components by the writers. We study the interaction of components and their impact on emotion classification with machine learning methods and pre-trained language models. Our results show that each component improves prediction performance, and that the best results are achieved by jointly considering all components. Our results also show the effectiveness of pre-trained language models in predicting discrete emotion from certain components, which reveal differences in how emotion components are expressed.

In this paper, we introduce a novel predict-and-optimize method for profit-driven churn prevention. We frame the task of targeting customers for a retention campaign as a regret minimization problem. The main objective is to leverage individual customer lifetime values (CLVs) to ensure that only the most valuable customers are targeted. In contrast, many profit-driven strategies focus on churn probabilities while considering average CLVs. This often results in significant information loss due to data aggregation. Our proposed model aligns with the guidelines of Predict-and-Optimize (PnO) frameworks and can be efficiently solved using stochastic gradient descent methods. Results from 12 churn prediction datasets underscore the effectiveness of our approach, which achieves the best average performance compared to other well-established strategies in terms of average profit.

Learning effective protein representations is critical in a variety of tasks in biology such as predicting protein function or structure. Existing approaches usually pretrain protein language models on a large number of unlabeled amino acid sequences and then finetune the models with some labeled data in downstream tasks. Despite the effectiveness of sequence-based approaches, the power of pretraining on known protein structures, which are available in smaller numbers only, has not been explored for protein property prediction, though protein structures are known to be determinants of protein function. In this paper, we propose to pretrain protein representations according to their 3D structures. We first present a simple yet effective encoder to learn the geometric features of a protein. We pretrain the protein graph encoder by leveraging multiview contrastive learning and different self-prediction tasks. Experimental results on both function prediction and fold classification tasks show that our proposed pretraining methods outperform or are on par with the state-of-the-art sequence-based methods, while using much less pretraining data. Our implementation is available at https://github.com/DeepGraphLearning/GearNet.

Predicting gender by the first name is not a simple task. In many applications, especially in the natural language processing (NLP) field, this task may be necessary, mainly when considering foreign names. In this paper, we examined and implemented several machine learning algorithms, such as extra trees, KNN, Naive Bayes, SVM, random forest, gradient boosting, light GBM, logistic regression, ridge classifier, and deep neural network models, such as MLP, RNN, GRU, CNN, and BiLSTM, to classify gender through the first name. A dataset of Brazilian names is used to train and evaluate the models. We analyzed the accuracy, recall, precision, f1 score, and confusion matrix to measure the models' performances. The results indicate that the gender prediction can be performed from the feature extraction strategy looking at the names as a set of strings. Some models accurately predict gender in more than 95% of the cases. The recurrent models overcome the feedforward models in this binary classification problem.

We introduce OneDiffusion, a versatile, large-scale diffusion model that seamlessly supports bidirectional image synthesis and understanding across diverse tasks. It enables conditional generation from inputs such as text, depth, pose, layout, and semantic maps, while also handling tasks like image deblurring, upscaling, and reverse processes such as depth estimation and segmentation. Additionally, OneDiffusion allows for multi-view generation, camera pose estimation, and instant personalization using sequential image inputs. Our model takes a straightforward yet effective approach by treating all tasks as frame sequences with varying noise scales during training, allowing any frame to act as a conditioning image at inference time. Our unified training framework removes the need for specialized architectures, supports scalable multi-task training, and adapts smoothly to any resolution, enhancing both generalization and scalability. Experimental results demonstrate competitive performance across tasks in both generation and prediction such as text-to-image, multiview generation, ID preservation, depth estimation and camera pose estimation despite relatively small training dataset. Our code and checkpoint are freely available at https://github.com/lehduong/OneDiffusion

Generative pre-trained Transformer (GPT) has demonstrates its great success in natural language processing and related techniques have been adapted into molecular modeling. Considering that text is the most important record for scientific discovery, in this paper, we propose MolXPT, a unified language model of text and molecules pre-trained on SMILES (a sequence representation of molecules) wrapped by text. Briefly, we detect the molecule names in each sequence and replace them to the corresponding SMILES. In this way, the SMILES could leverage the information from surrounding text, and vice versa. The above wrapped sequences, text sequences from PubMed and SMILES sequences from PubChem are all fed into a language model for pre-training. Experimental results demonstrate that MolXPT outperforms strong baselines of molecular property prediction on MoleculeNet, performs comparably to the best model in text-molecule translation while using less than half of its parameters, and enables zero-shot molecular generation without finetuning.

This paper shows that the autoregressive model is an effective and scalable monocular depth estimator. Our idea is simple: We tackle the monocular depth estimation (MDE) task with an autoregressive prediction paradigm, based on two core designs. First, our depth autoregressive model (DAR) treats the depth map of different resolutions as a set of tokens, and conducts the low-to-high resolution autoregressive objective with a patch-wise casual mask. Second, our DAR recursively discretizes the entire depth range into more compact intervals, and attains the coarse-to-fine granularity autoregressive objective in an ordinal-regression manner. By coupling these two autoregressive objectives, our DAR establishes new state-of-the-art (SOTA) on KITTI and NYU Depth v2 by clear margins. Further, our scalable approach allows us to scale the model up to 2.0B and achieve the best RMSE of 1.799 on the KITTI dataset (5% improvement) compared to 1.896 by the current SOTA (Depth Anything). DAR further showcases zero-shot generalization ability on unseen datasets. These results suggest that DAR yields superior performance with an autoregressive prediction paradigm, providing a promising approach to equip modern autoregressive large models (e.g., GPT-4o) with depth estimation capabilities.

We introduce a novel framework, LM-Guided CoT, that leverages a lightweight (i.e., <1B) language model (LM) for guiding a black-box large (i.e., >10B) LM in reasoning tasks. Specifically, the lightweight LM first generates a rationale for each input instance. The Frozen large LM is then prompted to predict a task output based on the rationale generated by the lightweight LM. Our approach is resource-efficient in the sense that it only requires training the lightweight LM. We optimize the model through 1) knowledge distillation and 2) reinforcement learning from rationale-oriented and task-oriented reward signals. We assess our method with multi-hop extractive question answering (QA) benchmarks, HotpotQA, and 2WikiMultiHopQA. Experimental results show that our approach outperforms all baselines regarding answer prediction accuracy. We also find that reinforcement learning helps the model to produce higher-quality rationales with improved QA performance.

Recognizing vulnerability is crucial for understanding and implementing targeted support to empower individuals in need. This is especially important at the European Court of Human Rights (ECtHR), where the court adapts Convention standards to meet actual individual needs and thus ensures effective human rights protection. However, the concept of vulnerability remains elusive at the ECtHR and no prior NLP research has dealt with it. To enable future research in this area, we present VECHR, a novel expert-annotated multi-label dataset comprising of vulnerability type classification and explanation rationale. We benchmark the performance of state-of-the-art models on VECHR from both prediction and explainability perspectives. Our results demonstrate the challenging nature of the task with lower prediction performance and limited agreement between models and experts. Further, we analyze the robustness of these models in dealing with out-of-domain (OOD) data and observe overall limited performance. Our dataset poses unique challenges offering significant room for improvement regarding performance, explainability, and robustness.

Property prediction plays an important role in material discovery. As an initial step to eventually develop a foundation model for material science, we introduce a new autoencoder called the MHG-GNN, which combines graph neural network (GNN) with Molecular Hypergraph Grammar (MHG). Results on a variety of property prediction tasks with diverse materials show that MHG-GNN is promising.

The oceans are a source of an impressive mixture of complex data that could be used to uncover relationships yet to be discovered. Such data comes from the oceans and their surface, such as Automatic Identification System (AIS) messages used for tracking vessels' trajectories. AIS messages are transmitted over radio or satellite at ideally periodic time intervals but vary irregularly over time. As such, this paper aims to model the AIS message transmission behavior through neural networks for forecasting upcoming AIS messages' content from multiple vessels, particularly in a simultaneous approach despite messages' temporal irregularities as outliers. We present a set of experiments comprising multiple algorithms for forecasting tasks with horizon sizes of varying lengths. Deep learning models (e.g., neural networks) revealed themselves to adequately preserve vessels' spatial awareness regardless of temporal irregularity. We show how convolutional layers, feed-forward networks, and recurrent neural networks can improve such tasks by working together. Experimenting with short, medium, and large-sized sequences of messages, our model achieved 36/37/38% of the Relative Percentage Difference - the lower, the better, whereas we observed 92/45/96% on the Elman's RNN, 51/52/40% on the GRU, and 129/98/61% on the LSTM. These results support our model as a driver for improving the prediction of vessel routes when analyzing multiple vessels of diverging types simultaneously under temporally noise data.

Image captioning has made substantial progress with huge supporting image collections sourced from the web. However, recent studies have pointed out that captioning datasets, such as COCO, contain gender bias found in web corpora. As a result, learning models could heavily rely on the learned priors and image context for gender identification, leading to incorrect or even offensive errors. To encourage models to learn correct gender features, we reorganize the COCO dataset and present two new splits COCO-GB V1 and V2 datasets where the train and test sets have different gender-context joint distribution. Models relying on contextual cues will suffer from huge gender prediction errors on the anti-stereotypical test data. Benchmarking experiments reveal that most captioning models learn gender bias, leading to high gender prediction errors, especially for women. To alleviate the unwanted bias, we propose a new Guided Attention Image Captioning model (GAIC) which provides self-guidance on visual attention to encourage the model to capture correct gender visual evidence. Experimental results validate that GAIC can significantly reduce gender prediction errors with a competitive caption quality. Our codes and the designed benchmark datasets are available at https://github.com/datamllab/Mitigating_Gender_Bias_In_Captioning_System.

Explainability and interpretability of AI models is an essential factor affecting the safety of AI. While various explainable AI (XAI) approaches aim at mitigating the lack of transparency in deep networks, the evidence of the effectiveness of these approaches in improving usability, trust, and understanding of AI systems are still missing. We evaluate multimodal explanations in the setting of a Visual Question Answering (VQA) task, by asking users to predict the response accuracy of a VQA agent with and without explanations. We use between-subjects and within-subjects experiments to probe explanation effectiveness in terms of improving user prediction accuracy, confidence, and reliance, among other factors. The results indicate that the explanations help improve human prediction accuracy, especially in trials when the VQA system's answer is inaccurate. Furthermore, we introduce active attention, a novel method for evaluating causal attentional effects through intervention by editing attention maps. User explanation ratings are strongly correlated with human prediction accuracy and suggest the efficacy of these explanations in human-machine AI collaboration tasks.

3D semantic segmentation is one of the key tasks for autonomous driving system. Recently, deep learning models for 3D semantic segmentation task have been widely researched, but they usually require large amounts of training data. However, the present datasets for 3D semantic segmentation are lack of point-wise annotation, diversiform scenes and dynamic objects. In this paper, we propose the SemanticPOSS dataset, which contains 2988 various and complicated LiDAR scans with large quantity of dynamic instances. The data is collected in Peking University and uses the same data format as SemanticKITTI. In addition, we evaluate several typical 3D semantic segmentation models on our SemanticPOSS dataset. Experimental results show that SemanticPOSS can help to improve the prediction accuracy of dynamic objects as people, car in some degree. SemanticPOSS will be published at www.poss.pku.edu.cn.

The ability to observe the effects of actions performed by others and to infer their intent, most likely goals, or course of action, is known as a plan or intention recognition cognitive capability and has long been one of the fundamental research challenges in AI. Deep learning has recently been making significant inroads on various pattern recognition problems, except for intention recognition. While extensively explored since the seventies, the problem remains unsolved for most interesting cases in various areas, ranging from natural language understanding to human behavior understanding based on video feeds. This paper compares symbolic inverse planning, one of the most investigated approaches to goal recognition, to deep learning using CNN and LTSM neural network architectures, on five synthetic benchmarks often used in the literature. The results show that the deep learning approach achieves better goal-prediction accuracy and timeliness than the symbolic cost-based plan recognizer in these domains. Although preliminary, these results point to interesting future research avenues.

We propose a novel attention gate (AG) model for medical imaging that automatically learns to focus on target structures of varying shapes and sizes. Models trained with AGs implicitly learn to suppress irrelevant regions in an input image while highlighting salient features useful for a specific task. This enables us to eliminate the necessity of using explicit external tissue/organ localisation modules of cascaded convolutional neural networks (CNNs). AGs can be easily integrated into standard CNN architectures such as the U-Net model with minimal computational overhead while increasing the model sensitivity and prediction accuracy. The proposed Attention U-Net architecture is evaluated on two large CT abdominal datasets for multi-class image segmentation. Experimental results show that AGs consistently improve the prediction performance of U-Net across different datasets and training sizes while preserving computational efficiency. The code for the proposed architecture is publicly available.

We present Supermarket-6DoF, a real-world dataset of 1500 grasp attempts across 20 supermarket objects with publicly available 3D models. Unlike most existing grasping datasets that rely on analytical metrics or simulation for grasp labeling, our dataset provides ground-truth outcomes from physical robot executions. Among the few real-world grasping datasets, wile more modest in size, Supermarket-6DoF uniquely features full 6-DoF grasp poses annotated with both initial grasp success and post-grasp stability under external perturbation. We demonstrate the dataset's utility by analyzing three grasp pose representations for grasp success prediction from point clouds. Our results show that representing the gripper geometry explicitly as a point cloud achieves higher prediction accuracy compared to conventional quaternion-based grasp pose encoding.

This paper introduces VoxSim, a dataset of perceptual voice similarity ratings. Recent efforts to automate the assessment of speech synthesis technologies have primarily focused on predicting mean opinion score of naturalness, leaving speaker voice similarity relatively unexplored due to a lack of extensive training data. To address this, we generate about 41k utterance pairs from the VoxCeleb dataset, a widely utilised speech dataset for speaker recognition, and collect nearly 70k speaker similarity scores through a listening test. VoxSim offers a valuable resource for the development and benchmarking of speaker similarity prediction models. We provide baseline results of speaker similarity prediction models on the VoxSim test set and further demonstrate that the model trained on our dataset generalises to the out-of-domain VCC2018 dataset.

PROTACs are a promising therapeutic modality that harnesses the cell's built-in degradation machinery to degrade specific proteins. Despite their potential, developing new PROTACs is challenging and requires significant domain expertise, time, and cost. Meanwhile, machine learning has transformed drug design and development. In this work, we present a strategy for curating open-source PROTAC data and an open-source deep learning tool for predicting the degradation activity of novel PROTAC molecules. The curated dataset incorporates important information such as pDC_{50}, D_{max}, E3 ligase type, POI amino acid sequence, and experimental cell type. Our model architecture leverages learned embeddings from pretrained machine learning models, in particular for encoding protein sequences and cell type information. We assessed the quality of the curated data and the generalization ability of our model architecture against new PROTACs and targets via three tailored studies, which we recommend other researchers to use in evaluating their degradation activity models. In each study, three models predict protein degradation in a majority vote setting, reaching a top test accuracy of 82.6% and 0.848 ROC AUC, and a test accuracy of 61% and 0.615 ROC AUC when generalizing to novel protein targets. Our results are not only comparable to state-of-the-art models for protein degradation prediction, but also part of an open-source implementation which is easily reproducible and less computationally complex than existing approaches.

Predictive Coding (PC) is a theoretical framework in cognitive science suggesting that the human brain processes cognition through spatiotemporal prediction of the visual world. Existing studies have developed spatiotemporal prediction neural networks based on the PC theory, emulating its two core mechanisms: Correcting predictions from residuals and hierarchical learning. However, these models do not show the enhancement of prediction skills on real-world forecasting tasks and ignore the Precision Weighting mechanism of PC theory. The precision weighting mechanism posits that the brain allocates more attention to signals with lower precision, contributing to the cognitive ability of human brains. This work introduces the Cognitive Diffusion Probabilistic Models (CogDPM), which demonstrate the connection between diffusion probabilistic models and PC theory. CogDPM features a precision estimation method based on the hierarchical sampling capabilities of diffusion models and weight the guidance with precision weights estimated by the inherent property of diffusion models. We experimentally show that the precision weights effectively estimate the data predictability. We apply CogDPM to real-world prediction tasks using the United Kindom precipitation and ERA surface wind datasets. Our results demonstrate that CogDPM outperforms both existing domain-specific operational models and general deep prediction models by providing more proficient forecasting.

The goal of knowledge graph completion (KGC) is to predict missing links in a KG using trained facts that are already known. In recent, pre-trained language model (PLM) based methods that utilize both textual and structural information are emerging, but their performances lag behind state-of-the-art (SOTA) structure-based methods or some methods lose their inductive inference capabilities in the process of fusing structure embedding to text encoder. In this paper, we propose a novel method to effectively unify structure information and language semantics without losing the power of inductive reasoning. We adopt entity anchors and these anchors and textual description of KG elements are fed together into the PLM-based encoder to learn unified representations. In addition, the proposed method utilizes additional random negative samples which can be reused in the each mini-batch during contrastive learning to learn a generalized entity representations. We verify the effectiveness of the our proposed method through various experiments and analysis. The experimental results on standard benchmark widely used in link prediction task show that the proposed model outperforms existing the SOTA KGC models. Especially, our method show the largest performance improvement on FB15K-237, which is competitive to the SOTA of structure-based KGC methods.

Trainable evaluation metrics for machine translation (MT) exhibit strong correlation with human judgements, but they are often hard to interpret and might produce unreliable scores under noisy or out-of-domain data. Recent work has attempted to mitigate this with simple uncertainty quantification techniques (Monte Carlo dropout and deep ensembles), however these techniques (as we show) are limited in several ways -- for example, they are unable to distinguish between different kinds of uncertainty, and they are time and memory consuming. In this paper, we propose more powerful and efficient uncertainty predictors for MT evaluation, and we assess their ability to target different sources of aleatoric and epistemic uncertainty. To this end, we develop and compare training objectives for the COMET metric to enhance it with an uncertainty prediction output, including heteroscedastic regression, divergence minimization, and direct uncertainty prediction. Our experiments show improved results on uncertainty prediction for the WMT metrics task datasets, with a substantial reduction in computational costs. Moreover, they demonstrate the ability of these predictors to address specific uncertainty causes in MT evaluation, such as low quality references and out-of-domain data.

Latent-based image generative models, such as Latent Diffusion Models (LDMs) and Mask Image Models (MIMs), have achieved notable success in image generation tasks. These models typically leverage reconstructive autoencoders like VQGAN or VAE to encode pixels into a more compact latent space and learn the data distribution in the latent space instead of directly from pixels. However, this practice raises a pertinent question: Is it truly the optimal choice? In response, we begin with an intriguing observation: despite sharing the same latent space, autoregressive models significantly lag behind LDMs and MIMs in image generation. This finding contrasts sharply with the field of NLP, where the autoregressive model GPT has established a commanding presence. To address this discrepancy, we introduce a unified perspective on the relationship between latent space and generative models, emphasizing the stability of latent space in image generative modeling. Furthermore, we propose a simple but effective discrete image tokenizer to stabilize the latent space for image generative modeling. Experimental results show that image autoregressive modeling with our tokenizer (DiGIT) benefits both image understanding and image generation with the next token prediction principle, which is inherently straightforward for GPT models but challenging for other generative models. Remarkably, for the first time, a GPT-style autoregressive model for images outperforms LDMs, which also exhibits substantial improvement akin to GPT when scaling up model size. Our findings underscore the potential of an optimized latent space and the integration of discrete tokenization in advancing the capabilities of image generative models. The code is available at https://github.com/DAMO-NLP-SG/DiGIT.

Autonomous user interface (UI) agents aim to facilitate task automation by interacting with the user interface without manual intervention. Recent studies have investigated eliciting the capabilities of large language models (LLMs) for effective engagement in diverse environments. To align with the input-output requirement of LLMs, existing approaches are developed under a sandbox setting where they rely on external tools and application-specific APIs to parse the environment into textual elements and interpret the predicted actions. Consequently, those approaches often grapple with inference inefficiency and error propagation risks. To mitigate the challenges, we introduce Auto-UI, a multimodal solution that directly interacts with the interface, bypassing the need for environment parsing or reliance on application-dependent APIs. Moreover, we propose a chain-of-action technique -- leveraging a series of intermediate previous action histories and future action plans -- to help the agent decide what action to execute. We evaluate our approach on a new device-control benchmark AITW with 30K unique instructions, spanning multi-step tasks such as application operation, web searching, and web shopping. Experimental results show that Auto-UI achieves state-of-the-art performance with an action type prediction accuracy of 90% and an overall action success rate of 74%. Code is publicly available at https://github.com/cooelf/Auto-UI.

As black-box models increasingly power high-stakes applications, a variety of data-driven explanation methods have been introduced. Meanwhile, machine learning models are constantly challenged by distributional shifts. A question naturally arises: Are data-driven explanations robust against out-of-distribution data? Our empirical results show that even though predict correctly, the model might still yield unreliable explanations under distributional shifts. How to develop robust explanations against out-of-distribution data? To address this problem, we propose an end-to-end model-agnostic learning framework Distributionally Robust Explanations (DRE). The key idea is, inspired by self-supervised learning, to fully utilizes the inter-distribution information to provide supervisory signals for the learning of explanations without human annotation. Can robust explanations benefit the model's generalization capability? We conduct extensive experiments on a wide range of tasks and data types, including classification and regression on image and scientific tabular data. Our results demonstrate that the proposed method significantly improves the model's performance in terms of explanation and prediction robustness against distributional shifts.

Temporal point processes (TPPs) are widely used to model the timing and occurrence of events in domains such as social networks, transportation systems, and e-commerce. In this paper, we introduce TPP-LLM, a novel framework that integrates large language models (LLMs) with TPPs to capture both the semantic and temporal aspects of event sequences. Unlike traditional methods that rely on categorical event type representations, TPP-LLM directly utilizes the textual descriptions of event types, enabling the model to capture rich semantic information embedded in the text. While LLMs excel at understanding event semantics, they are less adept at capturing temporal patterns. To address this, TPP-LLM incorporates temporal embeddings and employs parameter-efficient fine-tuning (PEFT) methods to effectively learn temporal dynamics without extensive retraining. This approach improves both predictive accuracy and computational efficiency. Experimental results across diverse real-world datasets demonstrate that TPP-LLM outperforms state-of-the-art baselines in sequence modeling and event prediction, highlighting the benefits of combining LLMs with TPPs.

Global vegetation structure mapping is critical for understanding the global carbon cycle and maximizing the efficacy of nature-based carbon sequestration initiatives. Moreover, vegetation structure mapping can help reduce the impacts of climate change by, for example, guiding actions to improve water security, increase biodiversity and reduce flood risk. Global satellite measurements provide an important set of observations for monitoring and managing deforestation and degradation of existing forests, natural forest regeneration, reforestation, biodiversity restoration, and the implementation of sustainable agricultural practices. In this paper, we explore the effectiveness of fine-tuning of a geospatial foundation model to estimate above-ground biomass (AGB) using space-borne data collected across different eco-regions in Brazil. The fine-tuned model architecture consisted of a Swin-B transformer as the encoder (i.e., backbone) and a single convolutional layer for the decoder head. All results were compared to a U-Net which was trained as the baseline model Experimental results of this sparse-label prediction task demonstrate that the fine-tuned geospatial foundation model with a frozen encoder has comparable performance to a U-Net trained from scratch. This is despite the fine-tuned model having 13 times less parameters requiring optimization, which saves both time and compute resources. Further, we explore the transfer-learning capabilities of the geospatial foundation models by fine-tuning on satellite imagery with sparse labels from different eco-regions in Brazil.

Antibodies are crucial proteins produced by the immune system to eliminate harmful foreign substances and have become pivotal therapeutic agents for treating human diseases. To accelerate the discovery of antibody therapeutics, there is growing interest in constructing language models using antibody sequences. However, the applicability of pre-trained language models for antibody discovery has not been thoroughly evaluated due to the scarcity of labeled datasets. To overcome these limitations, we introduce AVIDa-SARS-CoV-2, a dataset featuring the antigen-variable domain of heavy chain of heavy chain antibody (VHH) interactions obtained from two alpacas immunized with severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) spike proteins. AVIDa-SARS-CoV-2 includes binary labels indicating the binding or non-binding of diverse VHH sequences to 12 SARS-CoV-2 mutants, such as the Delta and Omicron variants. Furthermore, we release VHHCorpus-2M, a pre-training dataset for antibody language models, containing over two million VHH sequences. We report benchmark results for predicting SARS-CoV-2-VHH binding using VHHBERT pre-trained on VHHCorpus-2M and existing general protein and antibody-specific pre-trained language models. These results confirm that AVIDa-SARS-CoV-2 provides valuable benchmarks for evaluating the representation capabilities of antibody language models for binding prediction, thereby facilitating the development of AI-driven antibody discovery. The datasets are available at https://datasets.cognanous.com.

Pre-trained Code Language Models (Code-PLMs) have shown many advancements and achieved state-of-the-art results for many software engineering tasks in the past few years. These models are mainly targeted for popular programming languages such as Java and Python, leaving out many other ones like R. Though R has a wide community of developers and users, there is little known about the applicability of Code-PLMs for R. In this preliminary study, we aim to investigate the vulnerability of Code-PLMs for code entities in R. For this purpose, we use an R dataset of code and comment pairs and then apply CodeAttack, a black-box attack model that uses the structure of code to generate adversarial code samples. We investigate how the model can attack different entities in R. This is the first step towards understanding the importance of R token types, compared to popular programming languages (e.g., Java). We limit our study to code summarization. Our results show that the most vulnerable code entity is the identifier, followed by some syntax tokens specific to R. The results can shed light on the importance of token types and help in developing models for code summarization and method name prediction for the R language.

This research introduces an enhanced version of the multi-objective speech assessment model--MOSA-Net+, by leveraging the acoustic features from Whisper, a large-scaled weakly supervised model. We first investigate the effectiveness of Whisper in deploying a more robust speech assessment model. After that, we explore combining representations from Whisper and SSL models. The experimental results reveal that Whisper's embedding features can contribute to more accurate prediction performance. Moreover, combining the embedding features from Whisper and SSL models only leads to marginal improvement. As compared to intrusive methods, MOSA-Net, and other SSL-based speech assessment models, MOSA-Net+ yields notable improvements in estimating subjective quality and intelligibility scores across all evaluation metrics in Taiwan Mandarin Hearing In Noise test - Quality & Intelligibility (TMHINT-QI) dataset. To further validate its robustness, MOSA-Net+ was tested in the noisy-and-enhanced track of the VoiceMOS Challenge 2023, where it obtained the top-ranked performance among nine systems.

The dynamic nature of proteins is crucial for determining their biological functions and properties, for which Monte Carlo (MC) and molecular dynamics (MD) simulations stand as predominant tools to study such phenomena. By utilizing empirically derived force fields, MC or MD simulations explore the conformational space through numerically evolving the system via Markov chain or Newtonian mechanics. However, the high-energy barrier of the force fields can hamper the exploration of both methods by the rare event, resulting in inadequately sampled ensemble without exhaustive running. Existing learning-based approaches perform direct sampling yet heavily rely on target-specific simulation data for training, which suffers from high data acquisition cost and poor generalizability. Inspired by simulated annealing, we propose Str2Str, a novel structure-to-structure translation framework capable of zero-shot conformation sampling with roto-translation equivariant property. Our method leverages an amortized denoising score matching objective trained on general crystal structures and has no reliance on simulation data during both training and inference. Experimental results across several benchmarking protein systems demonstrate that Str2Str outperforms previous state-of-the-art generative structure prediction models and can be orders of magnitude faster compared to long MD simulations. Our open-source implementation is available at https://github.com/lujiarui/Str2Str

Predicting stock market movements has always been of great interest to investors and an active area of research. Research has proven that popularity of products is highly influenced by what people talk about. Social media like Twitter, Reddit have become hotspots of such influences. This paper investigates the impact of social media posts on close price prediction of stocks using Twitter and Reddit posts. Our objective is to integrate sentiment of social media data with historical stock data and study its effect on closing prices using time series models. We carried out rigorous experiments and deep analysis using multiple deep learning based models on different datasets to study the influence of posts by executives and general people on the close price. Experimental results on multiple stocks (Apple and Tesla) and decentralised currencies (Bitcoin and Ethereum) consistently show improvements in prediction on including social media data and greater improvements on including executive posts.

Mathematical reasoning, a core ability of human intelligence, presents unique challenges for machines in abstract thinking and logical reasoning. Recent large pre-trained language models such as GPT-3 have achieved remarkable progress on mathematical reasoning tasks written in text form, such as math word problems (MWP). However, it is unknown if the models can handle more complex problems that involve math reasoning over heterogeneous information, such as tabular data. To fill the gap, we present Tabular Math Word Problems (TabMWP), a new dataset containing 38,431 open-domain grade-level problems that require mathematical reasoning on both textual and tabular data. Each question in TabMWP is aligned with a tabular context, which is presented as an image, semi-structured text, and a structured table. There are two types of questions: free-text and multi-choice, and each problem is annotated with gold solutions to reveal the multi-step reasoning process. We evaluate different pre-trained models on TabMWP, including the GPT-3 model in a few-shot setting. As earlier studies suggest, since few-shot GPT-3 relies on the selection of in-context examples, its performance is unstable and can degrade to near chance. The unstable issue is more severe when handling complex problems like TabMWP. To mitigate this, we further propose a novel approach, PromptPG, which utilizes policy gradient to learn to select in-context examples from a small amount of training data and then constructs the corresponding prompt for the test example. Experimental results show that our method outperforms the best baseline by 5.31% on the accuracy metric and reduces the prediction variance significantly compared to random selection, which verifies its effectiveness in selecting in-context examples.

Click-through rate (CTR) prediction, which aims to predict the probability of a user clicking on an ad or an item, is critical to many online applications such as online advertising and recommender systems. The problem is very challenging since (1) the input features (e.g., the user id, user age, item id, item category) are usually sparse and high-dimensional, and (2) an effective prediction relies on high-order combinatorial features (a.k.a. cross features), which are very time-consuming to hand-craft by domain experts and are impossible to be enumerated. Therefore, there have been efforts in finding low-dimensional representations of the sparse and high-dimensional raw features and their meaningful combinations. In this paper, we propose an effective and efficient method called the AutoInt to automatically learn the high-order feature interactions of input features. Our proposed algorithm is very general, which can be applied to both numerical and categorical input features. Specifically, we map both the numerical and categorical features into the same low-dimensional space. Afterwards, a multi-head self-attentive neural network with residual connections is proposed to explicitly model the feature interactions in the low-dimensional space. With different layers of the multi-head self-attentive neural networks, different orders of feature combinations of input features can be modeled. The whole model can be efficiently fit on large-scale raw data in an end-to-end fashion. Experimental results on four real-world datasets show that our proposed approach not only outperforms existing state-of-the-art approaches for prediction but also offers good explainability. Code is available at: https://github.com/DeepGraphLearning/RecommenderSystems.

We introduce the variational graph auto-encoder (VGAE), a framework for unsupervised learning on graph-structured data based on the variational auto-encoder (VAE). This model makes use of latent variables and is capable of learning interpretable latent representations for undirected graphs. We demonstrate this model using a graph convolutional network (GCN) encoder and a simple inner product decoder. Our model achieves competitive results on a link prediction task in citation networks. In contrast to most existing models for unsupervised learning on graph-structured data and link prediction, our model can naturally incorporate node features, which significantly improves predictive performance on a number of benchmark datasets.

Users may strive to formulate an adequate textual query for their information need. Search engines assist the users by presenting query suggestions. To preserve the original search intent, suggestions should be context-aware and account for the previous queries issued by the user. Achieving context awareness is challenging due to data sparsity. We present a probabilistic suggestion model that is able to account for sequences of previous queries of arbitrary lengths. Our novel hierarchical recurrent encoder-decoder architecture allows the model to be sensitive to the order of queries in the context while avoiding data sparsity. Additionally, our model can suggest for rare, or long-tail, queries. The produced suggestions are synthetic and are sampled one word at a time, using computationally cheap decoding techniques. This is in contrast to current synthetic suggestion models relying upon machine learning pipelines and hand-engineered feature sets. Results show that it outperforms existing context-aware approaches in a next query prediction setting. In addition to query suggestion, our model is general enough to be used in a variety of other applications.

Meta-learning has emerged as a powerful approach to train neural networks to learn new tasks quickly from limited data. Broad exposure to different tasks leads to versatile representations enabling general problem solving. But, what are the limits of meta-learning? In this work, we explore the potential of amortizing the most powerful universal predictor, namely Solomonoff Induction (SI), into neural networks via leveraging meta-learning to its limits. We use Universal Turing Machines (UTMs) to generate training data used to expose networks to a broad range of patterns. We provide theoretical analysis of the UTM data generation processes and meta-training protocols. We conduct comprehensive experiments with neural architectures (e.g. LSTMs, Transformers) and algorithmic data generators of varying complexity and universality. Our results suggest that UTM data is a valuable resource for meta-learning, and that it can be used to train neural networks capable of learning universal prediction strategies.