Daily Papers

Hypothesis ranking is a crucial component of automated scientific discovery, particularly in natural sciences where wet-lab experiments are costly and throughput-limited. Existing approaches focus on pre-experiment ranking, relying solely on large language model's internal reasoning without incorporating empirical outcomes from experiments. We introduce the task of experiment-guided ranking, which aims to prioritize candidate hypotheses based on the results of previously tested ones. However, developing such strategies is challenging due to the impracticality of repeatedly conducting real experiments in natural science domains. To address this, we propose a simulator grounded in three domain-informed assumptions, modeling hypothesis performance as a function of similarity to a known ground truth hypothesis, perturbed by noise. We curate a dataset of 124 chemistry hypotheses with experimentally reported outcomes to validate the simulator. Building on this simulator, we develop a pseudo experiment-guided ranking method that clusters hypotheses by shared functional characteristics and prioritizes candidates based on insights derived from simulated experimental feedback. Experiments show that our method outperforms pre-experiment baselines and strong ablations.

Large language models (LLMs) have shown promise in automating scientific hypothesis generation, yet existing approaches primarily yield coarse-grained hypotheses lacking critical methodological and experimental details. We introduce and formally define the novel task of fine-grained scientific hypothesis discovery, which entails generating detailed, experimentally actionable hypotheses from coarse initial research directions. We frame this as a combinatorial optimization problem and investigate the upper limits of LLMs' capacity to solve it when maximally leveraged. Specifically, we explore four foundational questions: (1) how to best harness an LLM's internal heuristics to formulate the fine-grained hypothesis it itself would judge as the most promising among all the possible hypotheses it might generate, based on its own internal scoring-thus defining a latent reward landscape over the hypothesis space; (2) whether such LLM-judged better hypotheses exhibit stronger alignment with ground-truth hypotheses; (3) whether shaping the reward landscape using an ensemble of diverse LLMs of similar capacity yields better outcomes than defining it with repeated instances of the strongest LLM among them; and (4) whether an ensemble of identical LLMs provides a more reliable reward landscape than a single LLM. To address these questions, we propose a hierarchical search method that incrementally proposes and integrates details into the hypothesis, progressing from general concepts to specific experimental configurations. We show that this hierarchical process smooths the reward landscape and enables more effective optimization. Empirical evaluations on a new benchmark of expert-annotated fine-grained hypotheses from recent chemistry literature show that our method consistently outperforms strong baselines.

Scientific discovery contributes largely to human society's prosperity, and recent progress shows that LLMs could potentially catalyze this process. However, it is still unclear whether LLMs can discover novel and valid hypotheses in chemistry. In this work, we investigate this central research question: Can LLMs automatically discover novel and valid chemistry research hypotheses given only a chemistry research background (consisting of a research question and/or a background survey), without limitation on the domain of the research question? After extensive discussions with chemistry experts, we propose an assumption that a majority of chemistry hypotheses can be resulted from a research background and several inspirations. With this key insight, we break the central question into three smaller fundamental questions. In brief, they are: (1) given a background question, whether LLMs can retrieve good inspirations; (2) with background and inspirations, whether LLMs can lead to hypothesis; and (3) whether LLMs can identify good hypotheses to rank them higher. To investigate these questions, we construct a benchmark consisting of 51 chemistry papers published in Nature, Science, or a similar level in 2024 (all papers are only available online since 2024). Every paper is divided by chemistry PhD students into three components: background, inspirations, and hypothesis. The goal is to rediscover the hypothesis, given only the background and a large randomly selected chemistry literature corpus consisting the ground truth inspiration papers, with LLMs trained with data up to 2023. We also develop an LLM-based multi-agent framework that leverages the assumption, consisting of three stages reflecting the three smaller questions. The proposed method can rediscover many hypotheses with very high similarity with the ground truth ones, covering the main innovations.

Many motion-centric video analysis tasks, such as atomic actions, detecting atypical motor behavior in individuals with autism, or analyzing articulatory motion in real-time MRI of human speech, require efficient and interpretable temporal modeling. Capturing temporal dynamics is a central challenge in video analysis, often requiring significant computational resources and fine-grained annotations that are not widely available. This paper presents MOOSE (Motion Flow Over Spatial Space), a novel temporally-centric video encoder explicitly integrating optical flow with spatial embeddings to model temporal information efficiently, inspired by human perception of motion. Unlike prior models, MOOSE takes advantage of rich, widely available pre-trained visual and optical flow encoders instead of training video models from scratch. This significantly reduces computational complexity while enhancing temporal interpretability. Our primary contributions includes (1) proposing a computationally efficient temporally-centric architecture for video understanding (2) demonstrating enhanced interpretability in modeling temporal dynamics; and (3) achieving state-of-the-art performance on diverse benchmarks, including clinical, medical, and standard action recognition datasets, confirming the broad applicability and effectiveness of our approach.

Despite rapid advances in vision-language models (VLMs), current benchmarks for multimodal reasoning fall short in three key dimensions. First, they overwhelmingly rely on static images, failing to capture the temporal complexity of real-world environments. Second, they narrowly focus on mathematical problem-solving, neglecting the broader spectrum of reasoning skills -- including abstract, physical, planning, spatial, and temporal capabilities -- required for robust multimodal intelligence. Third, many benchmarks quickly saturate, offering limited headroom for diagnosing failure modes or measuring continued progress. We introduce MORSE-500 (Multimodal Reasoning Stress-test Environment), a video benchmark composed of 500 fully scripted clips with embedded questions spanning six complementary reasoning categories. Each instance is programmatically generated using deterministic Python scripts (via Manim, Matplotlib, MoviePy), generative video models, and curated real footage. This script-driven design allows fine-grained control over visual complexity, distractor density, and temporal dynamics -- enabling difficulty to be scaled systematically as models improve. Unlike static benchmarks that become obsolete once saturated, MORSE-500 is built to evolve: its controllable generation pipeline supports the creation of arbitrarily challenging new instances, making it ideally suited for stress-testing next-generation models. Initial experiments with state-of-the-art systems -- including various Gemini 2.5 Pro and OpenAI o3 which represent the strongest available at the time, alongside strong open-source models -- reveal substantial performance gaps across all categories, with particularly large deficits in abstract and planning tasks. We release the full dataset, generation scripts, and evaluation harness to support transparent, reproducible, and forward-looking multimodal reasoning research.

The rise of foundation models (FMs), coupled with regulatory efforts addressing their risks and impacts, has sparked significant interest in open-source models. However, existing speech FMs (SFMs) fall short of full compliance with the open-source principles, even if claimed otherwise, as no existing SFM has model weights, code, and training data publicly available under open-source terms. In this work, we take the first step toward filling this gap by focusing on the 24 official languages of the European Union (EU). We collect suitable training data by surveying automatic speech recognition datasets and unlabeled speech corpora under open-source compliant licenses, for a total of 950k hours. Additionally, we release automatic transcripts for 441k hours of unlabeled data under the permissive CC-BY license, thereby facilitating the creation of open-source SFMs for the EU languages.

In this paper, we present MooER, a LLM-based large-scale automatic speech recognition (ASR) / automatic speech translation (AST) model of Moore Threads. A 5000h pseudo labeled dataset containing open source and self collected speech data is used for training. We achieve performance comparable to other open source models trained with up to hundreds of thousands of hours of labeled speech data. Meanwhile, experiments conducted on Covost2 Zh2en testset suggest that our model outperforms other open source Speech LLMs. A BLEU score of 25.2 can be obtained. The main contributions of this paper are summarized as follows. First, this paper presents a training strategy for encoders and LLMs on speech related tasks (including ASR and AST) using a small size of pseudo labeled data without any extra manual annotation and selection. Second, we release our ASR and AST models and plan to open-source our training code and strategy in the near future. Moreover, a model trained on 8wh scale training data is planned to be released later on.

In this paper, we introduce the MoisesDB dataset for musical source separation. It consists of 240 tracks from 45 artists, covering twelve musical genres. For each song, we provide its individual audio sources, organized in a two-level hierarchical taxonomy of stems. This will facilitate building and evaluating fine-grained source separation systems that go beyond the limitation of using four stems (drums, bass, other, and vocals) due to lack of data. To facilitate the adoption of this dataset, we publish an easy-to-use Python library to download, process and use MoisesDB. Alongside a thorough documentation and analysis of the dataset contents, this work provides baseline results for open-source separation models for varying separation granularities (four, five, and six stems), and discuss their results.

Video object segmentation (VOS) aims at segmenting a particular object throughout the entire video clip sequence. The state-of-the-art VOS methods have achieved excellent performance (e.g., 90+% J&F) on existing datasets. However, since the target objects in these existing datasets are usually relatively salient, dominant, and isolated, VOS under complex scenes has rarely been studied. To revisit VOS and make it more applicable in the real world, we collect a new VOS dataset called coMplex video Object SEgmentation (MOSE) to study the tracking and segmenting objects in complex environments. MOSE contains 2,149 video clips and 5,200 objects from 36 categories, with 431,725 high-quality object segmentation masks. The most notable feature of MOSE dataset is complex scenes with crowded and occluded objects. The target objects in the videos are commonly occluded by others and disappear in some frames. To analyze the proposed MOSE dataset, we benchmark 18 existing VOS methods under 4 different settings on the proposed MOSE dataset and conduct comprehensive comparisons. The experiments show that current VOS algorithms cannot well perceive objects in complex scenes. For example, under the semi-supervised VOS setting, the highest J&F by existing state-of-the-art VOS methods is only 59.4% on MOSE, much lower than their ~90% J&F performance on DAVIS. The results reveal that although excellent performance has been achieved on existing benchmarks, there are unresolved challenges under complex scenes and more efforts are desired to explore these challenges in the future. The proposed MOSE dataset has been released at https://henghuiding.github.io/MOSE.

Generative models are becoming a tool of choice for exploring the molecular space. These models learn on a large training dataset and produce novel molecular structures with similar properties. Generated structures can be utilized for virtual screening or training semi-supervised predictive models in the downstream tasks. While there are plenty of generative models, it is unclear how to compare and rank them. In this work, we introduce a benchmarking platform called Molecular Sets (MOSES) to standardize training and comparison of molecular generative models. MOSES provides a training and testing datasets, and a set of metrics to evaluate the quality and diversity of generated structures. We have implemented and compared several molecular generation models and suggest to use our results as reference points for further advancements in generative chemistry research. The platform and source code are available at https://github.com/molecularsets/moses.

AI systems frequently exhibit and amplify social biases, including gender bias, leading to harmful consequences in critical areas. This study introduces a novel encoder-decoder approach that leverages model gradients to learn a single monosemantic feature neuron encoding gender information. We show that our method can be used to debias transformer-based language models, while maintaining other capabilities. We demonstrate the effectiveness of our approach across multiple encoder-only based models and highlight its potential for broader applications.

Understanding the internal computations of large language models (LLMs) is crucial for aligning them with human values and preventing undesirable behaviors like toxic content generation. However, mechanistic interpretability is hindered by polysemanticity -- where individual neurons respond to multiple, unrelated concepts. While Sparse Autoencoders (SAEs) have attempted to disentangle these features through sparse dictionary learning, they have compromised LLM performance due to reliance on post-hoc reconstruction loss. To address this issue, we introduce Mixture of Monosemantic Experts for Transformers (Monet) architecture, which incorporates sparse dictionary learning directly into end-to-end Mixture-of-Experts pretraining. Our novel expert decomposition method enables scaling the expert count to 262,144 per layer while total parameters scale proportionally to the square root of the number of experts. Our analyses demonstrate mutual exclusivity of knowledge across experts and showcase the parametric knowledge encapsulated within individual experts. Moreover, Monet allows knowledge manipulation over domains, languages, and toxicity mitigation without degrading general performance. Our pursuit of transparent LLMs highlights the potential of scaling expert counts to enhance} mechanistic interpretability and directly resect the internal knowledge to fundamentally adjust} model behavior. The source code and pretrained checkpoints are available at https://github.com/dmis-lab/Monet.

Sparse Autoencoders (SAEs) have recently been shown to enhance interpretability and steerability in Large Language Models (LLMs). In this work, we extend the application of SAEs to Vision-Language Models (VLMs), such as CLIP, and introduce a comprehensive framework for evaluating monosemanticity in vision representations. Our experimental results reveal that SAEs trained on VLMs significantly enhance the monosemanticity of individual neurons while also exhibiting hierarchical representations that align well with expert-defined structures (e.g., iNaturalist taxonomy). Most notably, we demonstrate that applying SAEs to intervene on a CLIP vision encoder, directly steer output from multimodal LLMs (e.g., LLaVA) without any modifications to the underlying model. These findings emphasize the practicality and efficacy of SAEs as an unsupervised approach for enhancing both the interpretability and control of VLMs.

Holistic 3D modeling of molecularly defined brain structures is crucial for understanding complex brain functions. Emerging tissue profiling technologies enable the construction of a comprehensive atlas of the mammalian brain with sub-cellular resolution and spatially resolved gene expression data. However, such tera-scale volumetric datasets present significant computational challenges in understanding complex brain functions within their native 3D spatial context. Here, we propose the novel generative approach Tera-MIND, which can simulate Tera-scale Mouse braINs in 3D using a patch-based and boundary-aware Diffusion model. Taking spatial transcriptomic data as the conditional input, we generate virtual mouse brains with comprehensive cellular morphological detail at teravoxel scale. Through the lens of 3D gene-gene self-attention, we identify spatial molecular interactions for key transcriptomic pathways in the murine brain, exemplified by glutamatergic and dopaminergic neuronal systems. Importantly, these in-silico biological findings are consistent and reproducible across three tera-scale virtual mouse brains. Therefore, Tera-MIND showcases a promising path toward efficient and generative simulations of whole organ systems for biomedical research. Project website: http://musikisomorphie.github.io/Tera-MIND.html{https}

In a few months the computer mouse will be half-a-century-old. It is known to have many drawbacks, the main ones being: loss of productivity due to constant switching between keyboard and mouse, and health issues such as RSI. Like the keyboard, it is an unnatural human-computer interface. However the vast majority of computer users still use computer mice nowadays. In this article, we explore computer mouse alternatives. Our research shows that moving the mouse cursor can be done efficiently with camera-based head tracking system such as the SmartNav device, and mouse clicks can be emulated in many complementary ways. We believe that computer users can increase their productivity and improve their long-term health by using these alternatives.

Accurate predictive models of the visual cortex neural response to natural visual stimuli remain a challenge in computational neuroscience. In this work, we introduce V1T, a novel Vision Transformer based architecture that learns a shared visual and behavioral representation across animals. We evaluate our model on two large datasets recorded from mouse primary visual cortex and outperform previous convolution-based models by more than 12.7% in prediction performance. Moreover, we show that the self-attention weights learned by the Transformer correlate with the population receptive fields. Our model thus sets a new benchmark for neural response prediction and can be used jointly with behavioral and neural recordings to reveal meaningful characteristic features of the visual cortex.

We provide a non-trivial measure of irrationality for a class of Mahler numbers defined with infinite products which cover the Thue-Morse constant.

Recently, action-based decision-making in open-world environments has gained significant attention. Visual Language Action (VLA) models, pretrained on large-scale web datasets, have shown promise in decision-making tasks. However, previous work has primarily focused on action post-training, often neglecting enhancements to the foundational model itself. In response, we introduce a novel approach, Act from Visual Language Post-Training, which refines Visual Language Models (VLMs) through visual and linguistic guidance in a self-supervised manner. This enhancement improves the models' capabilities in world knowledge, visual recognition, and spatial grounding in open-world environments. Following the above post-training paradigms, we obtain the first VLA models in Minecraft that can follow human instructions on over 1k different atomic tasks, including crafting, smelting, cooking, mining, and killing. Our experiments demonstrate that post-training on non-trajectory tasks leads to a significant 40% improvement over the best agent baseline on a diverse set of atomic tasks. Furthermore, we demonstrate that our approach surpasses traditional imitation learning-based policies in Minecraft, achieving state-of-the-art performance. We have open-sourced the code, models, and datasets to foster further research. The project page can be found in https://craftjarvis.github.io/JarvisVLA.

Dense retrieval models are commonly used in Information Retrieval (IR) applications, such as Retrieval-Augmented Generation (RAG). Since they often serve as the first step in these systems, their robustness is critical to avoid failures. In this work, by repurposing a relation extraction dataset (e.g. Re-DocRED), we design controlled experiments to quantify the impact of heuristic biases, such as favoring shorter documents, in retrievers like Dragon+ and Contriever. Our findings reveal significant vulnerabilities: retrievers often rely on superficial patterns like over-prioritizing document beginnings, shorter documents, repeated entities, and literal matches. Additionally, they tend to overlook whether the document contains the query's answer, lacking deep semantic understanding. Notably, when multiple biases combine, models exhibit catastrophic performance degradation, selecting the answer-containing document in less than 3% of cases over a biased document without the answer. Furthermore, we show that these biases have direct consequences for downstream applications like RAG, where retrieval-preferred documents can mislead LLMs, resulting in a 34% performance drop than not providing any documents at all.

To compare autoregressive language models at scale, we propose using log-likelihood vectors computed on a predefined text set as model features. This approach has a solid theoretical basis: when treated as model coordinates, their squared Euclidean distance approximates the Kullback-Leibler divergence of text-generation probabilities. Our method is highly scalable, with computational cost growing linearly in both the number of models and text samples, and is easy to implement as the required features are derived from cross-entropy loss. Applying this method to over 1,000 language models, we constructed a "model map," providing a new perspective on large-scale model analysis.

This paper introduces an information-aware quantization framework that adaptively compresses the key-value (KV) cache in large language models (LLMs). Although prior work has underscored the distinct roles of key and value cache during inference, our systematic analysis -- examining singular value distributions, spectral norms, and Frobenius norms -- reveals, for the first time, that key matrices consistently exhibit higher norm values and are more sensitive to quantization than value matrices. Furthermore, our theoretical analysis shows that matrices with higher spectral norms amplify quantization errors more significantly. Motivated by these insights, we propose a mixed-precision quantization strategy, KV-AdaQuant, which allocates more bit-width for keys and fewer for values since key matrices have higher norm values. With the same total KV bit budget, this approach effectively mitigates error propagation across transformer layers while achieving significant memory savings. Our extensive experiments on multiple LLMs (1B--70B) demonstrate that our mixed-precision quantization scheme maintains high model accuracy even under aggressive compression. For instance, using 4-bit for Key and 2-bit for Value achieves an accuracy of 75.2%, whereas reversing the assignment (2-bit for Key and 4-bit for Value) yields only 54.7% accuracy. The code is available at https://tinyurl.com/kv-adaquant

The generation of industrial Computer-Aided Design (CAD) models from user requests and specifications is crucial to enhancing efficiency in modern manufacturing. Traditional methods of CAD generation rely heavily on manual inputs and struggle with complex or non-standard designs, making them less suited for dynamic industrial needs. To overcome these challenges, we introduce Text2CAD, a novel framework that employs stable diffusion models tailored to automate the generation process and efficiently bridge the gap between user specifications in text and functional CAD models. This approach directly translates the user's textural descriptions into detailed isometric images, which are then precisely converted into orthographic views, e.g., top, front, and side, providing sufficient information to reconstruct 3D CAD models. This process not only streamlines the creation of CAD models from textual descriptions but also ensures that the resulting models uphold physical and dimensional consistency essential for practical engineering applications. Our experimental results show that Text2CAD effectively generates technical drawings that are accurately translated into high-quality 3D CAD models, showing substantial potential to revolutionize CAD automation in response to user demands.

Given the ever-increasing size of modern neural networks, the significance of sparse architectures has surged due to their accelerated inference speeds and minimal memory demands. When it comes to global pruning techniques, Iterative Magnitude Pruning (IMP) still stands as a state-of-the-art algorithm despite its simple nature, particularly in extremely sparse regimes. In light of the recent finding that the two successive matching IMP solutions are linearly connected without a loss barrier, we propose Sparse Weight Averaging with Multiple Particles (SWAMP), a straightforward modification of IMP that achieves performance comparable to an ensemble of two IMP solutions. For every iteration, we concurrently train multiple sparse models, referred to as particles, using different batch orders yet the same matching ticket, and then weight average such models to produce a single mask. We demonstrate that our method consistently outperforms existing baselines across different sparsities through extensive experiments on various data and neural network structures.

We resolve an open problem of Hanneke on the subject of universally consistent online learning with non-i.i.d. processes and unbounded losses. The notion of an optimistically universal learning rule was defined by Hanneke in an effort to study learning theory under minimal assumptions. A given learning rule is said to be optimistically universal if it achieves a low long-run average loss whenever the data generating process makes this goal achievable by some learning rule. Hanneke posed as an open problem whether, for every unbounded loss, the family of processes admitting universal learning are precisely those having a finite number of distinct values almost surely. In this paper, we completely resolve this problem, showing that this is indeed the case. As a consequence, this also offers a dramatically simpler formulation of an optimistically universal learning rule for any unbounded loss: namely, the simple memorization rule already suffices. Our proof relies on constructing random measurable partitions of the instance space and could be of independent interest for solving other open questions. We extend the results to the non-realizable setting thereby providing an optimistically universal Bayes consistent learning rule.

While state-of-the-art vision transformer models achieve promising results in image classification, they are computationally expensive and require many GFLOPs. Although the GFLOPs of a vision transformer can be decreased by reducing the number of tokens in the network, there is no setting that is optimal for all input images. In this work, we therefore introduce a differentiable parameter-free Adaptive Token Sampler (ATS) module, which can be plugged into any existing vision transformer architecture. ATS empowers vision transformers by scoring and adaptively sampling significant tokens. As a result, the number of tokens is not constant anymore and varies for each input image. By integrating ATS as an additional layer within the current transformer blocks, we can convert them into much more efficient vision transformers with an adaptive number of tokens. Since ATS is a parameter-free module, it can be added to the off-the-shelf pre-trained vision transformers as a plug and play module, thus reducing their GFLOPs without any additional training. Moreover, due to its differentiable design, one can also train a vision transformer equipped with ATS. We evaluate the efficiency of our module in both image and video classification tasks by adding it to multiple SOTA vision transformers. Our proposed module improves the SOTA by reducing their computational costs (GFLOPs) by 2X, while preserving their accuracy on the ImageNet, Kinetics-400, and Kinetics-600 datasets.

Question answering systems provide short, precise, and specific answers to questions. So far, many robust question answering systems have been developed for English, while some languages with fewer resources, like Persian, have few numbers of standard dataset. In this study, a comprehensive open-domain dataset is presented for Persian. This dataset is called NextQuAD and has 7,515 contexts, including 23,918 questions and answers. Then, a BERT-based question answering model has been applied to this dataset using two pre-trained language models, including ParsBERT and XLM-RoBERTa. The results of these two models have been ensembled using mean logits. Evaluation on the development set shows 0.95 Exact Match (EM) and 0.97 Fl_score. Also, to compare the NextQuAD with other Persian datasets, our trained model on the NextQuAD, is evaluated on two other datasets named PersianQA and ParSQuAD. Comparisons show that the proposed model increased EM by 0.39 and 0.14 respectively in PersianQA and ParSQuAD-manual, while a slight EM decline of 0.007 happened in ParSQuAD-automatic.

Inspire therapy is an FDA-approved internal neurostimulation treatment for obstructive sleep apnea. However, not all patients respond to this therapy, posing a challenge even for experienced otolaryngologists to determine candidacy. This paper makes the first attempt to leverage both machine learning and deep learning techniques in discerning patient responsiveness to Inspire therapy using medical data and videos captured through Drug-Induced Sleep Endoscopy (DISE), an essential procedure for Inspire therapy. To achieve this, we gathered and annotated three datasets from 127 patients. Two of these datasets comprise endoscopic videos focused on the Base of the Tongue and Velopharynx. The third dataset composes the patient's clinical information. By utilizing these datasets, we benchmarked and compared the performance of six deep learning models and five classical machine learning algorithms. The results demonstrate the potential of employing machine learning and deep learning techniques to determine a patient's eligibility for Inspire therapy, paving the way for future advancements in this field.

This paper addresses the problem of ranking pre-trained models for object detection and image classification. Selecting the best pre-trained model by fine-tuning is an expensive and time-consuming task. Previous works have proposed transferability estimation based on features extracted by the pre-trained models. We argue that quantifying whether the target dataset is in-distribution (IND) or out-of-distribution (OOD) for the pre-trained model is an important factor in the transferability estimation. To this end, we propose ETran, an energy-based transferability assessment metric, which includes three scores: 1) energy score, 2) classification score, and 3) regression score. We use energy-based models to determine whether the target dataset is OOD or IND for the pre-trained model. In contrast to the prior works, ETran is applicable to a wide range of tasks including classification, regression, and object detection (classification+regression). This is the first work that proposes transferability estimation for object detection task. Our extensive experiments on four benchmarks and two tasks show that ETran outperforms previous works on object detection and classification benchmarks by an average of 21% and 12%, respectively, and achieves SOTA in transferability assessment.

Distributed representations of words encode lexical semantic information, but what type of information is encoded and how? Focusing on the skip-gram with negative-sampling method, we found that the squared norm of static word embedding encodes the information gain conveyed by the word; the information gain is defined by the Kullback-Leibler divergence of the co-occurrence distribution of the word to the unigram distribution. Our findings are explained by the theoretical framework of the exponential family of probability distributions and confirmed through precise experiments that remove spurious correlations arising from word frequency. This theory also extends to contextualized word embeddings in language models or any neural networks with the softmax output layer. We also demonstrate that both the KL divergence and the squared norm of embedding provide a useful metric of the informativeness of a word in tasks such as keyword extraction, proper-noun discrimination, and hypernym discrimination.

Current pre-trained language models rely on large datasets for achieving state-of-the-art performance. However, past research has shown that not all examples in a dataset are equally important during training. In fact, it is sometimes possible to prune a considerable fraction of the training set while maintaining the test performance. Established on standard vision benchmarks, two gradient-based scoring metrics for finding important examples are GraNd and its estimated version, EL2N. In this work, we employ these two metrics for the first time in NLP. We demonstrate that these metrics need to be computed after at least one epoch of fine-tuning and they are not reliable in early steps. Furthermore, we show that by pruning a small portion of the examples with the highest GraNd/EL2N scores, we can not only preserve the test accuracy, but also surpass it. This paper details adjustments and implementation choices which enable GraNd and EL2N to be applied to NLP.

Most of the recent works on probing representations have focused on BERT, with the presumption that the findings might be similar to the other models. In this work, we extend the probing studies to two other models in the family, namely ELECTRA and XLNet, showing that variations in the pre-training objectives or architectural choices can result in different behaviors in encoding linguistic information in the representations. Most notably, we observe that ELECTRA tends to encode linguistic knowledge in the deeper layers, whereas XLNet instead concentrates that in the earlier layers. Also, the former model undergoes a slight change during fine-tuning, whereas the latter experiences significant adjustments. Moreover, we show that drawing conclusions based on the weight mixing evaluation strategy -- which is widely used in the context of layer-wise probing -- can be misleading given the norm disparity of the representations across different layers. Instead, we adopt an alternative information-theoretic probing with minimum description length, which has recently been proven to provide more reliable and informative results.

Alignment of large language models (LLMs) involves training models on preference-contrastive output pairs to adjust their responses according to human preferences. To obtain such contrastive pairs, traditional methods like RLHF and RLAIF rely on limited contrasting patterns, such as varying model variants or decoding temperatures. This singularity leads to two issues: (1) alignment is not comprehensive; and thereby (2) models are susceptible to jailbreaking attacks. To address these issues, we investigate how to construct more comprehensive and diversified contrasting patterns to enhance preference data (RQ1) and verify the impact of the diversification of contrasting patterns on model alignment (RQ2). For RQ1, we propose PopAlign, a framework that integrates diversified contrasting patterns across the prompt, model, and pipeline levels, introducing six contrasting strategies that do not require additional feedback labeling procedures. Regarding RQ2, we conduct thorough experiments demonstrating that PopAlign significantly outperforms existing methods, leading to more comprehensive alignment.

Recent work has sought to quantify large language model uncertainty to facilitate model control and modulate user trust. Previous works focus on measures of uncertainty that are theoretically grounded or reflect the average overt behavior of the model. In this work, we investigate a variety of uncertainty measures, in order to identify measures that correlate with human group-level uncertainty. We find that Bayesian measures and a variation on entropy measures, top-k entropy, tend to agree with human behavior as a function of model size. We find that some strong measures decrease in human-similarity with model size, but, by multiple linear regression, we find that combining multiple uncertainty measures provide comparable human-alignment with reduced size-dependency.

The advent of Large Language Models (LLMs) has paved the way for complex tasks such as role-playing, which enhances user interactions by enabling models to imitate various characters. However, the closed-source nature of state-of-the-art LLMs and their general-purpose training limit role-playing optimization. In this paper, we introduce RoleLLM, a framework to benchmark, elicit, and enhance role-playing abilities in LLMs. RoleLLM comprises four stages: (1) Role Profile Construction for 100 roles; (2) Context-Based Instruction Generation (Context-Instruct) for role-specific knowledge extraction; (3) Role Prompting using GPT (RoleGPT) for speaking style imitation; and (4) Role-Conditioned Instruction Tuning (RoCIT) for fine-tuning open-source models along with role customization. By Context-Instruct and RoleGPT, we create RoleBench, the first systematic and fine-grained character-level benchmark dataset for role-playing with 168,093 samples. Moreover, RoCIT on RoleBench yields RoleLLaMA (English) and RoleGLM (Chinese), significantly enhancing role-playing abilities and even achieving comparable results with RoleGPT (using GPT-4).

This paper introduces a highly flexible, quantized, memory-efficient, and ultra-lightweight object detection network, called TinyissimoYOLO. It aims to enable object detection on microcontrollers in the power domain of milliwatts, with less than 0.5MB memory available for storing convolutional neural network (CNN) weights. The proposed quantized network architecture with 422k parameters, enables real-time object detection on embedded microcontrollers, and it has been evaluated to exploit CNN accelerators. In particular, the proposed network has been deployed on the MAX78000 microcontroller achieving high frame-rate of up to 180fps and an ultra-low energy consumption of only 196{\mu}J per inference with an inference efficiency of more than 106 MAC/Cycle. TinyissimoYOLO can be trained for any multi-object detection. However, considering the small network size, adding object detection classes will increase the size and memory consumption of the network, thus object detection with up to 3 classes is demonstrated. Furthermore, the network is trained using quantization-aware training and deployed with 8-bit quantization on different microcontrollers, such as STM32H7A3, STM32L4R9, Apollo4b and on the MAX78000's CNN accelerator. Performance evaluations are presented in this paper.

Recently, high-performing code generation systems based on large language models have surfaced. They are trained on massive corpora containing much more natural text than actual executable computer code. This work shows that current code generation systems exhibit undesired biases inherited from their large language model backbones, which can reduce the quality of the generated code under specific circumstances. To investigate the effect, we propose the "block of influence" concept, which enables a modular decomposition and analysis of the coding challenges. We introduce an automated intervention mechanism reminiscent of adversarial testing that exposes undesired biases through the failure modes of the models under test. Finally, we demonstrate how our framework can be used as a data transformation technique during fine-tuning, acting as a mitigation strategy for these biases.

Study of urban form is an important area of research in urban planning/design that contributes to our understanding of how cities function and evolve. However, classical approaches are based on very limited observations and inconsistent methods. As an alternative, availability of massive urban data collections such as Open Street Map from the one hand and the recent advancements in machine learning methods such as deep learning techniques on the other have opened up new possibilities to automatically investigate urban forms at the global scale. In this work for the first time, by collecting a large data set of street networks in more than one million cities, towns and villages all over the world, we trained a deep convolutional auto-encoder, that automatically learns the hierarchical structures of urban forms and represents them via dense and comparable vectors. We showed how the learned urban vectors could be used for different investigations. Using the learned urban vectors, one is able to easily find and compare similar urban forms all over the world, considering their overall spatial structure and other factors such as orientation, graphical structure, and density and partial deformations. Further cluster analysis reveals the distribution of the main patterns of urban forms all over the planet.

In recent years, Large Language Models (LLM) such as ChatGPT, CoPilot, and Gemini have been widely adopted in different areas. As the use of LLMs continues to grow, many efforts have focused on reducing the massive training overheads of these models. But it is the environmental impact of handling user requests to LLMs that is increasingly becoming a concern. Recent studies estimate that the costs of operating LLMs in their inference phase can exceed training costs by 25x per year. As LLMs are queried incessantly, the cumulative carbon footprint for the operational phase has been shown to far exceed the footprint during the training phase. Further, estimates indicate that 500 ml of fresh water is expended for every 20-50 requests to LLMs during inference. To address these important sustainability issues with LLMs, we propose a novel framework called SLIT to co-optimize LLM quality of service (time-to-first token), carbon emissions, water usage, and energy costs. The framework utilizes a machine learning (ML) based metaheuristic to enhance the sustainability of LLM hosting across geo-distributed cloud datacenters. Such a framework will become increasingly vital as LLMs proliferate.

We present QGen Studio: an adaptive question-answer generation, training, and evaluation platform. QGen Studio enables users to leverage large language models (LLMs) to create custom question-answer datasets and fine-tune models on this synthetic data. It features a dataset viewer and model explorer to streamline this process. The dataset viewer provides key metrics and visualizes the context from which the QA pairs are generated, offering insights into data quality. The model explorer supports model comparison, allowing users to contrast the performance of their trained LLMs against other models, supporting performance benchmarking and refinement. QGen Studio delivers an interactive, end-to-end solution for generating QA datasets and training scalable, domain-adaptable models. The studio will be open-sourced soon, allowing users to deploy it locally.

Large language models predominantly reflect Western cultures, largely due to the dominance of English-centric training data. This imbalance presents a significant challenge, as LLMs are increasingly used across diverse contexts without adequate evaluation of their cultural competence in non-English languages, including Persian. To address this gap, we introduce PerCul, a carefully constructed dataset designed to assess the sensitivity of LLMs toward Persian culture. PerCul features story-based, multiple-choice questions that capture culturally nuanced scenarios. Unlike existing benchmarks, PerCul is curated with input from native Persian annotators to ensure authenticity and to prevent the use of translation as a shortcut. We evaluate several state-of-the-art multilingual and Persian-specific LLMs, establishing a foundation for future research in cross-cultural NLP evaluation. Our experiments demonstrate a 11.3% gap between best closed source model and layperson baseline while the gap increases to 21.3% by using the best open-weight model. You can access the dataset from here: https://huggingface.co/datasets/teias-ai/percul

Malware authors often employ code obfuscations to make their malware harder to detect. Existing tools for generating obfuscated code often require access to the original source code (e.g., C++ or Java), and adding new obfuscations is a non-trivial, labor-intensive process. In this study, we ask the following question: Can Large Language Models (LLMs) potentially generate a new obfuscated assembly code? If so, this poses a risk to anti-virus engines and potentially increases the flexibility of attackers to create new obfuscation patterns. We answer this in the affirmative by developing the MetamorphASM benchmark comprising MetamorphASM Dataset (MAD) along with three code obfuscation techniques: dead code, register substitution, and control flow change. The MetamorphASM systematically evaluates the ability of LLMs to generate and analyze obfuscated code using MAD, which contains 328,200 obfuscated assembly code samples. We release this dataset and analyze the success rate of various LLMs (e.g., GPT-3.5/4, GPT-4o-mini, Starcoder, CodeGemma, CodeLlama, CodeT5, and LLaMA 3.1) in generating obfuscated assembly code. The evaluation was performed using established information-theoretic metrics and manual human review to ensure correctness and provide the foundation for researchers to study and develop remediations to this risk. The source code can be found at the following GitHub link: https://github.com/mohammadi-ali/MetamorphASM.

Language models are known to absorb biases from their training data, leading to predictions driven by statistical regularities rather than semantic relevance. We investigate the impact of these biases on answer choice preferences in the Massive Multi-Task Language Understanding (MMLU) task. Our findings reveal that differences in learned regularities across answer options are predictive of model preferences and mirror human test-taking strategies. To address this issue, we introduce two novel methods: Counterfactual Prompting with Chain of Thought (CoT) and Counterfactual Prompting with Agnostically Primed CoT (APriCoT). We demonstrate that while Counterfactual Prompting with CoT alone is insufficient to mitigate bias, our novel Primed Counterfactual Prompting with CoT approach effectively reduces the influence of base-rate probabilities while improving overall accuracy. Our results suggest that mitigating bias requires a "System-2" like process and that CoT reasoning is susceptible to confirmation bias under some prompting methodologies. Our contributions offer practical solutions for developing more robust and fair language models.

Large language models (LLMs) appear to bias their survey answers toward certain values. Nonetheless, some argue that LLMs are too inconsistent to simulate particular values. Are they? To answer, we first define value consistency as the similarity of answers across (1) paraphrases of one question, (2) related questions under one topic, (3) multiple-choice and open-ended use-cases of one question, and (4) multilingual translations of a question to English, Chinese, German, and Japanese. We apply these measures to a few large (>=34b), open LLMs including llama-3, as well as gpt-4o, using eight thousand questions spanning more than 300 topics. Unlike prior work, we find that models are relatively consistent across paraphrases, use-cases, translations, and within a topic. Still, some inconsistencies remain. Models are more consistent on uncontroversial topics (e.g., in the U.S., "Thanksgiving") than on controversial ones ("euthanasia"). Base models are both more consistent compared to fine-tuned models and are uniform in their consistency across topics, while fine-tuned models are more inconsistent about some topics ("euthanasia") than others ("women's rights") like our human subjects (n=165).

Cloze testing is a common method for measuring the behavior of large language models on a number of benchmark tasks. Using the MMLU dataset, we show that the base-rate probability (BRP) differences across answer tokens are significant and affect task performance ie. guess A if uncertain. We find that counterfactual prompting does sufficiently mitigate the BRP effect. The BRP effect is found to have a similar effect to test taking strategies employed by humans leading to the conflation of task performance and test-taking ability. We propose the Nvr-X-MMLU task, a variation of MMLU, which helps to disambiguate test-taking ability from task performance and reports the latter.

The open-world deployment of Machine Learning (ML) algorithms in safety-critical applications such as autonomous vehicles needs to address a variety of ML vulnerabilities such as interpretability, verifiability, and performance limitations. Research explores different approaches to improve ML dependability by proposing new models and training techniques to reduce generalization error, achieve domain adaptation, and detect outlier examples and adversarial attacks. However, there is a missing connection between ongoing ML research and well-established safety principles. In this paper, we present a structured and comprehensive review of ML techniques to improve the dependability of ML algorithms in uncontrolled open-world settings. From this review, we propose the Taxonomy of ML Safety that maps state-of-the-art ML techniques to key engineering safety strategies. Our taxonomy of ML safety presents a safety-oriented categorization of ML techniques to provide guidance for improving dependability of the ML design and development. The proposed taxonomy can serve as a safety checklist to aid designers in improving coverage and diversity of safety strategies employed in any given ML system.

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.

Reducing traffic accidents is an important public safety challenge. However, the majority of studies on traffic accident analysis and prediction have used small-scale datasets with limited coverage, which limits their impact and applicability; and existing large-scale datasets are either private, old, or do not include important contextual information such as environmental stimuli (weather, points-of-interest, etc.). In order to help the research community address these shortcomings 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. US-Accidents currently contains data about 2.25 million instances of traffic accidents that took place within the contiguous United States, and over the last three years. Each accident record consists of a variety of intrinsic and contextual attributes such as location, time, natural language description, weather, period-of-day, and points-of-interest. We present this dataset in this paper, along with a wide range of insights gleaned from this dataset with respect to the spatiotemporal characteristics of accidents. The dataset is publicly available at https://smoosavi.org/datasets/us_accidents.

To evaluate the variability of multi-phase flow properties of porous media at the pore scale, it is necessary to acquire a number of representative samples of the void-solid structure. While modern x-ray computer tomography has made it possible to extract three-dimensional images of the pore space, assessment of the variability in the inherent material properties is often experimentally not feasible. We present a novel method to reconstruct the solid-void structure of porous media by applying a generative neural network that allows an implicit description of the probability distribution represented by three-dimensional image datasets. We show, by using an adversarial learning approach for neural networks, that this method of unsupervised learning is able to generate representative samples of porous media that honor their statistics. We successfully compare measures of pore morphology, such as the Euler characteristic, two-point statistics and directional single-phase permeability of synthetic realizations with the calculated properties of a bead pack, Berea sandstone, and Ketton limestone. Results show that GANs can be used to reconstruct high-resolution three-dimensional images of porous media at different scales that are representative of the morphology of the images used to train the neural network. The fully convolutional nature of the trained neural network allows the generation of large samples while maintaining computational efficiency. Compared to classical stochastic methods of image reconstruction, the implicit representation of the learned data distribution can be stored and reused to generate multiple realizations of the pore structure very rapidly.

State-of-the-art deep neural networks have achieved impressive results on many image classification tasks. However, these same architectures have been shown to be unstable to small, well sought, perturbations of the images. Despite the importance of this phenomenon, no effective methods have been proposed to accurately compute the robustness of state-of-the-art deep classifiers to such perturbations on large-scale datasets. In this paper, we fill this gap and propose the DeepFool algorithm to efficiently compute perturbations that fool deep networks, and thus reliably quantify the robustness of these classifiers. Extensive experimental results show that our approach outperforms recent methods in the task of computing adversarial perturbations and making classifiers more robust.

In this paper, we introduce SciGen, a new challenge dataset for the task of reasoning-aware data-to-text generation consisting of tables from scientific articles and their corresponding descriptions. Describing scientific tables goes beyond the surface realization of the table content and requires reasoning over table values. The unique properties of SciGen are that (1) tables mostly contain numerical values, and (2) the corresponding descriptions require arithmetic reasoning. SciGen is therefore the first dataset that assesses the arithmetic reasoning capabilities of generation models on complex input structures, i.e., tables from scientific articles. We study the effectiveness of state-of-the-art data-to-text generation models on SciGen and evaluate the results using common metrics as well as human evaluation. Our results and analyses show that (a) while humans like to reason for describing scientific tables, the ability of state-of-the-art models is severely limited on this task, (b) while adding more training data improves the results, it is not the solution for reasoning-aware text generation, and (c) one of the main bottlenecks for this task is the lack of proper automatic evaluation metrics. The data, code, and annotations for human evaluation will be available at https://github.com/UKPLab/SciGen. SciGen opens new avenues for future research in reasoning-aware text generation and evaluation.

The common practice in coreference resolution is to identify and evaluate the maximum span of mentions. The use of maximum spans tangles coreference evaluation with the challenges of mention boundary detection like prepositional phrase attachment. To address this problem, minimum spans are manually annotated in smaller corpora. However, this additional annotation is costly and therefore, this solution does not scale to large corpora. In this paper, we propose the MINA algorithm for automatically extracting minimum spans to benefit from minimum span evaluation in all corpora. We show that the extracted minimum spans by MINA are consistent with those that are manually annotated by experts. Our experiments show that using minimum spans is in particular important in cross-dataset coreference evaluation, in which detected mention boundaries are noisier due to domain shift. We will integrate MINA into https://github.com/ns-moosavi/coval for reporting standard coreference scores based on both maximum and automatically detected minimum spans.

An emerging solution for explaining Transformer-based models is to use vector-based analysis on how the representations are formed. However, providing a faithful vector-based explanation for a multi-layer model could be challenging in three aspects: (1) Incorporating all components into the analysis, (2) Aggregating the layer dynamics to determine the information flow and mixture throughout the entire model, and (3) Identifying the connection between the vector-based analysis and the model's predictions. In this paper, we present DecompX to tackle these challenges. DecompX is based on the construction of decomposed token representations and their successive propagation throughout the model without mixing them in between layers. Additionally, our proposal provides multiple advantages over existing solutions for its inclusion of all encoder components (especially nonlinear feed-forward networks) and the classification head. The former allows acquiring precise vectors while the latter transforms the decomposition into meaningful prediction-based values, eliminating the need for norm- or summation-based vector aggregation. According to the standard faithfulness evaluations, DecompX consistently outperforms existing gradient-based and vector-based approaches on various datasets. Our code is available at https://github.com/mohsenfayyaz/DecompX.