Daily Papers

Many recent advances in computer vision are the result of a healthy competition among researchers on high quality, task-specific, benchmarks. After a decade of active research, zero-shot learning (ZSL) models accuracy on the Imagenet benchmark remains far too low to be considered for practical object recognition applications. In this paper, we argue that the main reason behind this apparent lack of progress is the poor quality of this benchmark. We highlight major structural flaws of the current benchmark and analyze different factors impacting the accuracy of ZSL models. We show that the actual classification accuracy of existing ZSL models is significantly higher than was previously thought as we account for these flaws. We then introduce the notion of structural bias specific to ZSL datasets. We discuss how the presence of this new form of bias allows for a trivial solution to the standard benchmark and conclude on the need for a new benchmark. We then detail the semi-automated construction of a new benchmark to address these flaws.

Existing Video Temporal Grounding (VTG) models excel in accuracy but often overlook open-world challenges posed by open-vocabulary queries and untrimmed videos. This leads to unreliable predictions for noisy, corrupted, and out-of-distribution data. Adapting VTG models to dynamically estimate uncertainties based on user input can address this issue. To this end, we introduce SRAM, a robust network module that benefits from a two-stage cross-modal alignment task. More importantly, it integrates Deep Evidential Regression (DER) to explicitly and thoroughly quantify uncertainty during training, thus allowing the model to say "I do not know" in scenarios beyond its handling capacity. However, the direct application of traditional DER theory and its regularizer reveals structural flaws, leading to unintended constraints in VTG tasks. In response, we develop a simple yet effective Geom-regularizer that enhances the uncertainty learning framework from the ground up. To the best of our knowledge, this marks the first successful attempt of DER in VTG. Our extensive quantitative and qualitative results affirm the effectiveness, robustness, and interpretability of our modules and the uncertainty learning paradigm in VTG tasks. The code will be made available.

This paper investigates the ability of transformer-based models to learn structural recursion from examples. Recursion is a universal concept in both natural and formal languages. Structural recursion is central to the programming language and formal mathematics tasks where symbolic tools currently excel beyond neural models, such as inferring semantic relations between datatypes and emulating program behavior. We introduce a general framework that nicely connects the abstract concepts of structural recursion in the programming language domain to concrete sequence modeling problems and learned models' behavior. The framework includes a representation that captures the general syntax of structural recursion, coupled with two different frameworks for understanding their semantics -- one that is more natural from a programming languages perspective and one that helps bridge that perspective with a mechanistic understanding of the underlying transformer architecture. With our framework as a powerful conceptual tool, we identify different issues under various set-ups. The models trained to emulate recursive computations cannot fully capture the recursion yet instead fit short-cut algorithms and thus cannot solve certain edge cases that are under-represented in the training distribution. In addition, it is difficult for state-of-the-art large language models (LLMs) to mine recursive rules from in-context demonstrations. Meanwhile, these LLMs fail in interesting ways when emulating reduction (step-wise computation) of the recursive function.

Large language models (LLMs) have complicated internal dynamics, but induce representations of words and phrases whose geometry we can study. Human language processing is also opaque, but neural response measurements can provide (noisy) recordings of activation during listening or reading, from which we can extract similar representations of words and phrases. Here we study the extent to which the geometries induced by these representations, share similarities in the context of brain decoding. We find that the larger neural language models get, the more their representations are structurally similar to neural response measurements from brain imaging. Code is available at https://github.com/coastalcph/brainlm.

Large language models (LLMs) have demonstrated exceptional performance in text generation within current NLP research. However, the lack of factual accuracy is still a dark cloud hanging over the LLM skyscraper. Structural knowledge prompting (SKP) is a prominent paradigm to integrate external knowledge into LLMs by incorporating structural representations, achieving state-of-the-art results in many knowledge-intensive tasks. However, existing methods often focus on specific problems, lacking a comprehensive exploration of the generalization and capability boundaries of SKP. This paper aims to evaluate and rethink the generalization capability of the SKP paradigm from four perspectives including Granularity, Transferability, Scalability, and Universality. To provide a thorough evaluation, we introduce a novel multi-granular, multi-level benchmark called SUBARU, consisting of 9 different tasks with varying levels of granularity and difficulty.

The Multiplane Image (MPI), containing a set of fronto-parallel RGBA layers, is an effective and efficient representation for view synthesis from sparse inputs. Yet, its fixed structure limits the performance, especially for surfaces imaged at oblique angles. We introduce the Structural MPI (S-MPI), where the plane structure approximates 3D scenes concisely. Conveying RGBA contexts with geometrically-faithful structures, the S-MPI directly bridges view synthesis and 3D reconstruction. It can not only overcome the critical limitations of MPI, i.e., discretization artifacts from sloped surfaces and abuse of redundant layers, and can also acquire planar 3D reconstruction. Despite the intuition and demand of applying S-MPI, great challenges are introduced, e.g., high-fidelity approximation for both RGBA layers and plane poses, multi-view consistency, non-planar regions modeling, and efficient rendering with intersected planes. Accordingly, we propose a transformer-based network based on a segmentation model. It predicts compact and expressive S-MPI layers with their corresponding masks, poses, and RGBA contexts. Non-planar regions are inclusively handled as a special case in our unified framework. Multi-view consistency is ensured by sharing global proxy embeddings, which encode plane-level features covering the complete 3D scenes with aligned coordinates. Intensive experiments show that our method outperforms both previous state-of-the-art MPI-based view synthesis methods and planar reconstruction methods.

The efficient compression of large language models (LLMs) is becoming increasingly popular. However, recovering the accuracy of compressed LLMs is still a major challenge. Structural pruning with standard Low-Rank Adaptation (LoRA) is a common technique in current LLM compression. In structural pruning, the model architecture is modified unevenly, resulting in suboptimal performance in various downstream tasks via standard LoRA with fixed rank. To address this problem, we introduce RankAdaptor, an efficient fine-tuning method with hierarchical dynamic rank scheduling for pruned LLMs. An end-to-end automatic optimization flow is developed that utilizes a lightweight performance model to determine the different ranks during fine-tuning. Comprehensive experiments on popular benchmarks show that RankAdaptor consistently outperforms standard LoRA with structural pruning over different pruning settings. Without increasing the trainable parameters, RankAdaptor further reduces the accuracy performance gap between the recovery of the pruned model and the original model compared to standard LoRA.

The automated generation of imaging reports proves invaluable in alleviating the workload of radiologists. A clinically applicable reports generation algorithm should demonstrate its effectiveness in producing reports that accurately describe radiology findings and attend to patient-specific indications. In this paper, we introduce a novel method, Structural Entities extraction and patient indications Incorporation (SEI) for chest X-ray report generation. Specifically, we employ a structural entities extraction (SEE) approach to eliminate presentation-style vocabulary in reports and improve the quality of factual entity sequences. This reduces the noise in the following cross-modal alignment module by aligning X-ray images with factual entity sequences in reports, thereby enhancing the precision of cross-modal alignment and further aiding the model in gradient-free retrieval of similar historical cases. Subsequently, we propose a cross-modal fusion network to integrate information from X-ray images, similar historical cases, and patient-specific indications. This process allows the text decoder to attend to discriminative features of X-ray images, assimilate historical diagnostic information from similar cases, and understand the examination intention of patients. This, in turn, assists in triggering the text decoder to produce high-quality reports. Experiments conducted on MIMIC-CXR validate the superiority of SEI over state-of-the-art approaches on both natural language generation and clinical efficacy metrics.

Pre-trained language models (PLM), for example BERT or RoBERTa, mark the state-of-the-art for natural language understanding task when fine-tuned on labeled data. However, their large size poses challenges in deploying them for inference in real-world applications, due to significant GPU memory requirements and high inference latency. This paper explores neural architecture search (NAS) for structural pruning to find sub-parts of the fine-tuned network that optimally trade-off efficiency, for example in terms of model size or latency, and generalization performance. We also show how we can utilize more recently developed two-stage weight-sharing NAS approaches in this setting to accelerate the search process. Unlike traditional pruning methods with fixed thresholds, we propose to adopt a multi-objective approach that identifies the Pareto optimal set of sub-networks, allowing for a more flexible and automated compression process.

Predictive process monitoring is a process mining task aimed at forecasting information about a running process trace, such as the most correct next activity to be executed. In medical domains, predictive process monitoring can provide valuable decision support in atypical and nontrivial situations. Decision support and quality assessment in medicine cannot ignore domain knowledge, in order to be grounded on all the available information (which is not limited to data) and to be really acceptable by end users. In this paper, we propose a predictive process monitoring approach relying on the use of a {\em transformer}, a deep learning architecture based on the attention mechanism. A major contribution of our work lies in the incorporation of ontological domain-specific knowledge, carried out through a graph positional encoding technique. The paper presents and discusses the encouraging experimental result we are collecting in the domain of stroke management.

Structural and Positional Encodings can significantly improve the performance of Graph Neural Networks in downstream tasks. Recent literature has begun to systematically investigate differences in the structural properties that these approaches encode, as well as performance trade-offs between them. However, the question of which structural properties yield the most effective encoding remains open. In this paper, we investigate this question from a geometric perspective. We propose a novel structural encoding based on discrete Ricci curvature (Local Curvature Profiles, short LCP) and show that it significantly outperforms existing encoding approaches. We further show that combining local structural encodings, such as LCP, with global positional encodings improves downstream performance, suggesting that they capture complementary geometric information. Finally, we compare different encoding types with (curvature-based) rewiring techniques. Rewiring has recently received a surge of interest due to its ability to improve the performance of Graph Neural Networks by mitigating over-smoothing and over-squashing effects. Our results suggest that utilizing curvature information for structural encodings delivers significantly larger performance increases than rewiring.

Abstract grammatical knowledge - of parts of speech and grammatical patterns - is key to the capacity for linguistic generalization in humans. But how abstract is grammatical knowledge in large language models? In the human literature, compelling evidence for grammatical abstraction comes from structural priming. A sentence that shares the same grammatical structure as a preceding sentence is processed and produced more readily. Because confounds exist when using stimuli in a single language, evidence of abstraction is even more compelling from crosslingual structural priming, where use of a syntactic structure in one language primes an analogous structure in another language. We measure crosslingual structural priming in large language models, comparing model behavior to human experimental results from eight crosslingual experiments covering six languages, and four monolingual structural priming experiments in three non-English languages. We find evidence for abstract monolingual and crosslingual grammatical representations in the models that function similarly to those found in humans. These results demonstrate that grammatical representations in multilingual language models are not only similar across languages, but they can causally influence text produced in different languages.

This thesis focuses on improving the pre-training of natural language models using unsupervised raw data to make them more efficient and aligned with downstream applications. In the first part, we introduce three alternative pre-training objectives to BERT's Masked Language Modeling (MLM), namely Random Token Substitution (RTS), Cluster-based Random Token Substitution (C-RTS), and Swapped Language Modeling (SLM). These objectives involve token swapping instead of masking, with RTS and C-RTS aiming to predict token originality and SLM predicting the original token values. Results show that RTS and C-RTS require less pre-training time while maintaining performance comparable to MLM. Surprisingly, SLM outperforms MLM on certain tasks despite using the same computational budget. In the second part, we proposes self-supervised pre-training tasks that align structurally with downstream applications, reducing the need for labeled data. We use large corpora like Wikipedia and CC-News to train models to recognize if text spans originate from the same paragraph or document in several ways. By doing continuous pre-training, starting from existing models like RoBERTa, ELECTRA, DeBERTa, BART, and T5, we demonstrate significant performance improvements in tasks like Fact Verification, Answer Sentence Selection, and Summarization. These improvements are especially pronounced when limited annotation data is available. The proposed objectives also achieve state-of-the-art results on various benchmark datasets, including FEVER (dev set), ASNQ, WikiQA, and TREC-QA, as well as enhancing the quality of summaries. Importantly, these techniques can be easily integrated with other methods without altering the internal structure of Transformer models, making them versatile for various NLP applications.

In many real-world applications, graph-structured data used for training and testing have differences in distribution, such as in high energy physics (HEP) where simulation data used for training may not match real experiments. Graph domain adaptation (GDA) is a method used to address these differences. However, current GDA primarily works by aligning the distributions of node representations output by a single graph neural network encoder shared across the training and testing domains, which may often yield sub-optimal solutions. This work examines different impacts of distribution shifts caused by either graph structure or node attributes and identifies a new type of shift, named conditional structure shift (CSS), which current GDA approaches are provably sub-optimal to deal with. A novel approach, called structural reweighting (StruRW), is proposed to address this issue and is tested on synthetic graphs, four benchmark datasets, and a new application in HEP. StruRW has shown significant performance improvement over the baselines in the settings with large graph structure shifts, and reasonable performance improvement when node attribute shift dominates.

Structural pruning enables model acceleration by removing structurally-grouped parameters from neural networks. However, the parameter-grouping patterns vary widely across different models, making architecture-specific pruners, which rely on manually-designed grouping schemes, non-generalizable to new architectures. In this work, we study a highly-challenging yet barely-explored task, any structural pruning, to tackle general structural pruning of arbitrary architecture like CNNs, RNNs, GNNs and Transformers. The most prominent obstacle towards this goal lies in the structural coupling, which not only forces different layers to be pruned simultaneously, but also expects all removed parameters to be consistently unimportant, thereby avoiding structural issues and significant performance degradation after pruning. To address this problem, we propose a general and {fully automatic} method, Dependency Graph (DepGraph), to explicitly model the dependency between layers and comprehensively group coupled parameters for pruning. In this work, we extensively evaluate our method on several architectures and tasks, including ResNe(X)t, DenseNet, MobileNet and Vision transformer for images, GAT for graph, DGCNN for 3D point cloud, alongside LSTM for language, and demonstrate that, even with a simple norm-based criterion, the proposed method consistently yields gratifying performances.

The growing complexity of legal cases has lead to an increasing interest in legal information retrieval systems that can effectively satisfy user-specific information needs. However, such downstream systems typically require documents to be properly formatted and segmented, which is often done with relatively simple pre-processing steps, disregarding topical coherence of segments. Systems generally rely on representations of individual sentences or paragraphs, which may lack crucial context, or document-level representations, which are too long for meaningful search results. To address this issue, we propose a segmentation system that can predict topical coherence of sequential text segments spanning several paragraphs, effectively segmenting a document and providing a more balanced representation for downstream applications. We build our model on top of popular transformer networks and formulate structural text segmentation as topical change detection, by performing a series of independent classifications that allow for efficient fine-tuning on task-specific data. We crawl a novel dataset consisting of roughly 74,000 online Terms-of-Service documents, including hierarchical topic annotations, which we use for training. Results show that our proposed system significantly outperforms baselines, and adapts well to structural peculiarities of legal documents. We release both data and trained models to the research community for future work.https://github.com/dennlinger/TopicalChange

In order to communicate, humans flatten a complex representation of ideas and their attributes into a single word or a sentence. We investigate the impact of representation learning in artificial agents by developing graph referential games. We empirically show that agents parametrized by graph neural networks develop a more compositional language compared to bag-of-words and sequence models, which allows them to systematically generalize to new combinations of familiar features.

Structural optimization is a popular method for designing objects such as bridge trusses, airplane wings, and optical devices. Unfortunately, the quality of solutions depends heavily on how the problem is parameterized. In this paper, we propose using the implicit bias over functions induced by neural networks to improve the parameterization of structural optimization. Rather than directly optimizing densities on a grid, we instead optimize the parameters of a neural network which outputs those densities. This reparameterization leads to different and often better solutions. On a selection of 116 structural optimization tasks, our approach produces the best design 50% more often than the best baseline method.

Identifying the intent of a citation in scientific papers (e.g., background information, use of methods, comparing results) is critical for machine reading of individual publications and automated analysis of the scientific literature. We propose structural scaffolds, a multitask model to incorporate structural information of scientific papers into citations for effective classification of citation intents. Our model achieves a new state-of-the-art on an existing ACL anthology dataset (ACL-ARC) with a 13.3% absolute increase in F1 score, without relying on external linguistic resources or hand-engineered features as done in existing methods. In addition, we introduce a new dataset of citation intents (SciCite) which is more than five times larger and covers multiple scientific domains compared with existing datasets. Our code and data are available at: https://github.com/allenai/scicite.

Scene-agnostic visual inpainting remains very challenging despite progress in patch-based methods. Recently, Pathak et al. 2016 have introduced convolutional "context encoders" (CEs) for unsupervised feature learning through image completion tasks. With the additional help of adversarial training, CEs turned out to be a promising tool to complete complex structures in real inpainting problems. In the present paper we propose to push further this key ability by relying on perceptual reconstruction losses at training time. We show on a wide variety of visual scenes the merit of the approach for structural inpainting, and confirm it through a user study. Combined with the optimization-based refinement of Yang et al. 2016 with neural patches, our context encoder opens up new opportunities for prior-free visual inpainting.

Current Multimodal Large Language Models (MLLMs) typically integrate a pre-trained LLM with another pre-trained vision transformer through a connector, such as an MLP, endowing the LLM with visual capabilities. However, the misalignment between two embedding strategies in MLLMs -- the structural textual embeddings based on an embedding look-up table and the continuous embeddings generated directly by the vision encoder -- makes challenges for a more seamless fusion of visual and textual information. We propose Ovis, a novel MLLM architecture designed to structurally align visual and textual embeddings. Ovis integrates an additional learnable visual embedding table into the visual encoder's process. To capture rich visual semantics, each image patch indexes the visual embedding table multiple times, resulting in a final visual embedding that is a probabilistic combination of the indexed embeddings. This structural approach mirrors the method used for generating textual embeddings. Empirical evaluations on various multimodal benchmarks demonstrate that Ovis outperforms open-source MLLMs of similar parameter scales and even surpasses the proprietary model Qwen-VL-Plus overall. These results highlight the potential of Ovis' structured visual representation for advancing MLLM architectural design and promoting more effective multimodal learning. Both the source code and the training dataset of Ovis will be made publicly available.

LLMs have demonstrated commendable performance across diverse domains. Nevertheless, formulating high-quality prompts to assist them in their work poses a challenge for non-AI experts. Existing research in prompt engineering suggests somewhat scattered optimization principles and designs empirically dependent prompt optimizers. Unfortunately, these endeavors lack a structural design, incurring high learning costs and it is not conducive to the iterative updating of prompts, especially for non-AI experts. Inspired by structured reusable programming languages, we propose LangGPT, a structural prompt design framework. Furthermore, we introduce Minstrel, a multi-generative agent system with reflection to automate the generation of structural prompts. Experiments and the case study illustrate that structural prompts generated by Minstrel or written manually significantly enhance the performance of LLMs. Furthermore, we analyze the ease of use of structural prompts through a user survey in our online community.

Sequence modeling has demonstrated state-of-the-art performance on natural language and document understanding tasks. However, it is challenging to correctly serialize tokens in form-like documents in practice due to their variety of layout patterns. We propose FormNet, a structure-aware sequence model to mitigate the suboptimal serialization of forms. First, we design Rich Attention that leverages the spatial relationship between tokens in a form for more precise attention score calculation. Second, we construct Super-Tokens for each word by embedding representations from their neighboring tokens through graph convolutions. FormNet therefore explicitly recovers local syntactic information that may have been lost during serialization. In experiments, FormNet outperforms existing methods with a more compact model size and less pre-training data, establishing new state-of-the-art performance on CORD, FUNSD and Payment benchmarks.

Large Language Models (LLMs) have shown impressive performance across a wide array of tasks involving both structured and unstructured textual data. Recent results on various benchmarks for code generation, repair, or completion suggest that certain models have programming abilities comparable to or even surpass humans. In this work, we demonstrate that high performance on such benchmarks does not correlate to humans' innate ability to understand structural control flow in code. To this end, we extract solutions from the HumanEval benchmark, which the relevant models perform strongly on, and trace their execution path using function calls sampled from the respective test set. Using this dataset, we investigate the ability of seven state-of-the-art LLMs to match the execution trace and find that, despite their ability to generate semantically identical code, they possess limited ability to trace execution paths, especially for longer traces and specific control structures. We find that even the top-performing model, Gemini, can fully and correctly generate only 47% of HumanEval task traces. Additionally, we introduce a subset for three key structures not contained in HumanEval: Recursion, Parallel Processing, and Object-Oriented Programming, including concepts like Inheritance and Polymorphism. Besides OOP, we show that none of the investigated models achieve an accuracy over 5% on the relevant traces. Aggregating these specialized parts with HumanEval tasks, we present Benchmark CoCoNUT: Code Control Flow for Navigation Understanding and Testing, which measures a model's ability to trace execution of code upon relevant calls, including advanced structural components. We conclude that current LLMs need significant improvement to enhance code reasoning abilities. We hope our dataset helps researchers bridge this gap.

With the emergence of data marketplaces, the demand for methods to assess the value of data has increased significantly. While numerous techniques have been proposed for this purpose, none have specifically addressed graphs as the main data modality. Graphs are widely used across various fields, ranging from chemical molecules to social networks. In this study, we break down graphs into two main components: structural and featural, and we focus on evaluating data without relying on specific task-related metrics, making it applicable in practical scenarios where validation requirements may be lacking. We introduce a novel framework called blind message passing, which aligns the seller's and buyer's graphs using a shared node permutation based on graph matching. This allows us to utilize the graph Wasserstein distance to quantify the differences in the structural distribution of graph datasets, called the structural disparities. We then consider featural aspects of buyers' and sellers' graphs for data valuation and capture their statistical similarities and differences, referred to as relevance and diversity, respectively. Our approach ensures that buyers and sellers remain unaware of each other's datasets. Our experiments on real datasets demonstrate the effectiveness of our approach in capturing the relevance, diversity, and structural disparities of seller data for buyers, particularly in graph-based data valuation scenarios.

Models need appropriate inductive biases to effectively learn from small amounts of data and generalize systematically outside of the training distribution. While Transformers are highly versatile and powerful, they can still benefit from enhanced structural inductive biases for seq2seq tasks, especially those involving syntactic transformations, such as converting active to passive voice or semantic parsing. In this paper, we propose to strengthen the structural inductive bias of a Transformer by intermediate pre-training to perform synthetically generated syntactic transformations of dependency trees given a description of the transformation. Our experiments confirm that this helps with few-shot learning of syntactic tasks such as chunking, and also improves structural generalization for semantic parsing. Our analysis shows that the intermediate pre-training leads to attention heads that keep track of which syntactic transformation needs to be applied to which token, and that the model can leverage these attention heads on downstream tasks.

Earth system models suffer from various structural and parametric errors in their representation of nonlinear, multi-scale processes, leading to uncertainties in their long-term projections. The effects of many of these errors (particularly those due to fast physics) can be quantified in short-term simulations, e.g., as differences between the predicted and observed states (analysis increments). With the increase in the availability of high-quality observations and simulations, learning nudging from these increments to correct model errors has become an active research area. However, most studies focus on using neural networks, which while powerful, are hard to interpret, are data-hungry, and poorly generalize out-of-distribution. Here, we show the capabilities of Model Error Discovery with Interpretability and Data Assimilation (MEDIDA), a general, data-efficient framework that uses sparsity-promoting equation-discovery techniques to learn model errors from analysis increments. Using two-layer quasi-geostrophic turbulence as the test case, MEDIDA is shown to successfully discover various linear and nonlinear structural/parametric errors when full observations are available. Discovery from spatially sparse observations is found to require highly accurate interpolation schemes. While NNs have shown success as interpolators in recent studies, here, they are found inadequate due to their inability to accurately represent small scales, a phenomenon known as spectral bias. We show that a general remedy, adding a random Fourier feature layer to the NN, resolves this issue enabling MEDIDA to successfully discover model errors from sparse observations. These promising results suggest that with further development, MEDIDA could be scaled up to models of the Earth system and real observations.

In contrastive learning, the choice of ``view'' controls the information that the representation captures and influences the performance of the model. However, leading graph contrastive learning methods generally produce views via random corruption or learning, which could lead to the loss of essential information and alteration of semantic information. An anchor view that maintains the essential information of input graphs for contrastive learning has been hardly investigated. In this paper, based on the theory of graph information bottleneck, we deduce the definition of this anchor view; put differently, the anchor view with essential information of input graph is supposed to have the minimal structural uncertainty. Furthermore, guided by structural entropy, we implement the anchor view, termed SEGA, for graph contrastive learning. We extensively validate the proposed anchor view on various benchmarks regarding graph classification under unsupervised, semi-supervised, and transfer learning and achieve significant performance boosts compared to the state-of-the-art methods.

Although the preservation of shape continuity and physiological anatomy is a natural assumption in the segmentation of medical images, it is often neglected by deep learning methods that mostly aim for the statistical modeling of input data as pixels rather than interconnected structures. In biological structures, however, organs are not separate entities; for example, in reality, a severed vessel is an indication of an underlying problem, but traditional segmentation models are not designed to strictly enforce the continuity of anatomy, potentially leading to inaccurate medical diagnoses. To address this issue, we propose a graph-based approach that enforces the continuity and connectivity of anatomical topology in medical images. Our method encodes the continuity of shapes as a graph constraint, ensuring that the network's predictions maintain this continuity. We evaluate our method on two public benchmarks on retinal vessel segmentation, showing significant improvements in connectivity metrics compared to traditional methods while getting better or on-par performance on segmentation metrics.

Linear structural equation models are multivariate statistical models encoded by mixed graphs. In particular, the set of covariance matrices for distributions belonging to a linear structural equation model for a fixed mixed graph G=(V, D,B) is parameterized by a rational function with parameters for each vertex and edge in G. This rational parametrization naturally allows for the study of these models from an algebraic and combinatorial point of view. Indeed, this point of view has led to a collection of results in the literature, mainly focusing on questions related to identifiability and determining relationships between covariances (i.e., finding polynomials in the Gaussian vanishing ideal). So far, a large proportion of these results has focused on the case when D, the directed part of the mixed graph G, is acyclic. This is due to the fact that in the acyclic case, the parametrization becomes polynomial and there is a description of the entries of the covariance matrices in terms of a finite sum. We move beyond the acyclic case and give a closed form expression for the entries of the covariance matrices in terms of the one-connections in a graph obtained from D through some small operations. This closed form expression then allows us to show that if G is simple, then the parametrization map is generically finite-to-one. Finally, having a closed form expression for the covariance matrices allows for the development of an algorithm for systematically exploring possible polynomials in the Gaussian vanishing ideal.

The local structure of V_{2}O_{3}, an archetypal strongly correlated electron system that displays a metal-insulator transition around 160 K, has been investigated via pair distribution function (PDF) analysis of neutron and x-ray total scattering data. The rhombohedral-to-monoclinic structural phase transition manifests as an abrupt change on all length scales in the observed PDF. No monoclinic distortions of the local structure are found above the transition, although coexisting regions of phase-separated rhombohedral and monoclinic symmetry are observed between 150 K and 160 K. This lack of structural fluctuations above the transition contrasts with the known presence of magnetic fluctuations in the high-temperature state, suggesting that the lattice degree of freedom plays a secondary role behind the spin degree of freedom in the transition mechanism.

Multiple sequence alignments (MSAs) of proteins encode rich biological information and have been workhorses in bioinformatic methods for tasks like protein design and protein structure prediction for decades. Recent breakthroughs like AlphaFold2 that use transformers to attend directly over large quantities of raw MSAs have reaffirmed their importance. Generation of MSAs is highly computationally intensive, however, and no datasets comparable to those used to train AlphaFold2 have been made available to the research community, hindering progress in machine learning for proteins. To remedy this problem, we introduce OpenProteinSet, an open-source corpus of more than 16 million MSAs, associated structural homologs from the Protein Data Bank, and AlphaFold2 protein structure predictions. We have previously demonstrated the utility of OpenProteinSet by successfully retraining AlphaFold2 on it. We expect OpenProteinSet to be broadly useful as training and validation data for 1) diverse tasks focused on protein structure, function, and design and 2) large-scale multimodal machine learning research.

Text-rich Graph Knowledge Bases (TG-KBs) have become increasingly crucial for answering queries by providing textual and structural knowledge. However, current retrieval methods often retrieve these two types of knowledge in isolation without considering their mutual reinforcement and some hybrid methods even bypass structural retrieval entirely after neighboring aggregation. To fill in this gap, we propose a Mixture of Structural-and-Textual Retrieval (MoR) to retrieve these two types of knowledge via a Planning-Reasoning-Organizing framework. In the Planning stage, MoR generates textual planning graphs delineating the logic for answering queries. Following planning graphs, in the Reasoning stage, MoR interweaves structural traversal and textual matching to obtain candidates from TG-KBs. In the Organizing stage, MoR further reranks fetched candidates based on their structural trajectory. Extensive experiments demonstrate the superiority of MoR in harmonizing structural and textual retrieval with insights, including uneven retrieving performance across different query logics and the benefits of integrating structural trajectories for candidate reranking. Our code is available at https://github.com/Yoega/MoR.

We employ new tools from mechanistic interpretability in order to ask whether the internal structure of large language models (LLMs) shows correspondence to the linguistic structures which underlie the languages on which they are trained. In particular, we ask (1) when two languages employ the same morphosyntactic processes, do LLMs handle them using shared internal circuitry? and (2) when two languages require different morphosyntactic processes, do LLMs handle them using different internal circuitry? Using English and Chinese multilingual and monolingual models, we analyze the internal circuitry involved in two tasks. We find evidence that models employ the same circuit to handle the same syntactic process independently of the language in which it occurs, and that this is the case even for monolingual models trained completely independently. Moreover, we show that multilingual models employ language-specific components (attention heads and feed-forward networks) when needed to handle linguistic processes (e.g., morphological marking) that only exist in some languages. Together, our results provide new insights into how LLMs trade off between exploiting common structures and preserving linguistic differences when tasked with modeling multiple languages simultaneously.

Large language models (LLMs) have shown remarkable capabilities in language understanding and generation. However, such impressive capability typically comes with a substantial model size, which presents significant challenges in both the deployment, inference, and training stages. With LLM being a general-purpose task solver, we explore its compression in a task-agnostic manner, which aims to preserve the multi-task solving and language generation ability of the original LLM. One challenge to achieving this is the enormous size of the training corpus of LLM, which makes both data transfer and model post-training over-burdensome. Thus, we tackle the compression of LLMs within the bound of two constraints: being task-agnostic and minimizing the reliance on the original training dataset. Our method, named LLM-Pruner, adopts structural pruning that selectively removes non-critical coupled structures based on gradient information, maximally preserving the majority of the LLM's functionality. To this end, the performance of pruned models can be efficiently recovered through tuning techniques, LoRA, in merely 3 hours, requiring only 50K data. We validate the LLM-Pruner on three LLMs, including LLaMA, Vicuna, and ChatGLM, and demonstrate that the compressed models still exhibit satisfactory capabilities in zero-shot classification and generation. The code is available at: https://github.com/horseee/LLM-Pruner

Chart parsing poses a significant challenge due to the diversity of styles, values, texts, and so forth. Even advanced large vision-language models (LVLMs) with billions of parameters struggle to handle such tasks satisfactorily. To address this, we propose OneChart: a reliable agent specifically devised for the structural extraction of chart information. Similar to popular LVLMs, OneChart incorporates an autoregressive main body. Uniquely, to enhance the reliability of the numerical parts of the output, we introduce an auxiliary token placed at the beginning of the total tokens along with an additional decoder. The numerically optimized (auxiliary) token allows subsequent tokens for chart parsing to capture enhanced numerical features through causal attention. Furthermore, with the aid of the auxiliary token, we have devised a self-evaluation mechanism that enables the model to gauge the reliability of its chart parsing results by providing confidence scores for the generated content. Compared to current state-of-the-art (SOTA) chart parsing models, e.g., DePlot, ChartVLM, ChartAst, OneChart significantly outperforms in Average Precision (AP) for chart structural extraction across multiple public benchmarks, despite enjoying only 0.2 billion parameters. Moreover, as a chart parsing agent, it also brings 10%+ accuracy gains for the popular LVLM (LLaVA-1.6) in the downstream ChartQA benchmark.

This work investigates the production of high-resolution images of typical support elements in concrete structures by means of the muon tomography (muography). By exploiting detailed Monte Carlo radiation-matter simulations, we demonstrate the feasibility of the reconstruction of 1 cm--thick iron tubes inside 30 cm--deep concrete blocks, regarded as an important testbed within the structural diagnostics community. In addition, we present a new method for integrating simulated data with advanced deep learning techniques in order to improve the muon imaging of concrete structures. Through deep learning enhancement techniques, this results into a dramatic improvement of the image quality, as well as into a significant reduction of the data acquisition time, which are two critical limitations within the usual practice of muography for civil engineering diagnostics.

Artefact descriptions are the primary carriers of engineering design knowledge that is both an outcome and a driver of the design process. While an artefact could be described in different connotations, the design process requires a description to embody engineering design knowledge, which is expressed in the text through intricate placement of entities and relationships. As large-language models learn from all kinds of text merely as a sequence of characters/tokens, these are yet to generate text that embodies explicit engineering design facts. Existing ontological design theories are less likely to guide the large-language models whose applications are currently limited to ideation and learning purposes. In this article, we explicate engineering design knowledge as knowledge graphs from a large sample of 33,881 patent documents. We examine the constituents of these knowledge graphs to understand the linguistic and structural basis of engineering design knowledge. In terms of linguistic basis, we observe that entities and relationships could be generalised to 64 and 24 linguistic syntaxes. While relationships mainly capture attributes ('of'), structure ('in', 'with'), purpose ('to', 'for'), hierarchy ('include'), exemplification ('such as'), and behaviour ('to', 'from'), the hierarchical relationships could specifically be identified using 75 unique syntaxes. To understand the structural basis, we draw inspiration from various studies on biological/ecological networks and discover motifs from patent knowledge graphs. We identify four 3-node and four 4-node patterns that could further be converged and simplified into sequence [->...->], aggregation [->...<-], and hierarchy [<-...->]. Expected to guide large-language model based design tools, we propose few regulatory precepts for concretising abstract entities and relationships within subgraphs, while explicating hierarchical structures.

We propose a structural default model for portfolio-wide valuation adjustments (xVAs) and represent it as a system of coupled backward stochastic differential equations. The framework is divided into four layers, each capturing a key component: (i) clean values, (ii) initial margin and Collateral Valuation Adjustment (ColVA), (iii) Credit/Debit Valuation Adjustments (CVA/DVA) together with Margin Valuation Adjustment (MVA), and (iv) Funding Valuation Adjustment (FVA). Because these layers depend on one another through collateral and default effects, a naive Monte Carlo approach would require deeply nested simulations, making the problem computationally intractable. To address this challenge, we use an iterative deep BSDE approach, handling each layer sequentially so that earlier outputs serve as inputs to the subsequent layers. Initial margin is computed via deep quantile regression to reflect margin requirements over the Margin Period of Risk. We also adopt a change-of-measure method that highlights rare but significant defaults of the bank or counterparty, ensuring that these events are accurately captured in the training process. We further extend Han and Long's (2020) a posteriori error analysis to BSDEs on bounded domains. Due to the random exit from the domain, we obtain an order of convergence of O(h^{1/4-epsilon}) rather than the usual O(h^{1/2}). Numerical experiments illustrate that this method drastically reduces computational demands and successfully scales to high-dimensional, non-symmetric portfolios. The results confirm its effectiveness and accuracy, offering a practical alternative to nested Monte Carlo simulations in multi-counterparty xVA analyses.

Small language models (SLMs) have attracted considerable attention from both academia and industry due to their broad range of applications in edge devices. To obtain SLMs with strong performance, conventional approaches either pre-train the models from scratch, which incurs substantial computational costs, or compress/prune existing large language models (LLMs), which results in performance drops and falls short in comparison to pre-training. In this paper, we investigate the family of acceleration methods that involve both structured pruning and model training. We found 1) layer-wise adaptive pruning (Adapt-Pruner) is extremely effective in LLMs and yields significant improvements over existing pruning techniques, 2) adaptive pruning equipped with further training leads to models comparable to those pre-training from scratch, 3) incremental pruning brings non-trivial performance gain by interleaving pruning with training and only removing a small portion of neurons (sim5%) at a time. Experimental results on LLaMA-3.1-8B demonstrate that Adapt-Pruner outperforms conventional pruning methods, such as LLM-Pruner, FLAP, and SliceGPT, by an average of 1%-7% in accuracy on commonsense benchmarks. Additionally, Adapt-Pruner restores the performance of MobileLLM-125M to 600M on the MMLU benchmark with 200times fewer tokens via pruning from its larger counterparts, and discovers a new 1B model that surpasses LLaMA-3.2-1B in multiple benchmarks.

Memory plays a pivotal role in enabling large language model~(LLM)-based agents to engage in complex and long-term interactions, such as question answering (QA) and dialogue systems. While various memory modules have been proposed for these tasks, the impact of different memory structures across tasks remains insufficiently explored. This paper investigates how memory structures and memory retrieval methods affect the performance of LLM-based agents. Specifically, we evaluate four types of memory structures, including chunks, knowledge triples, atomic facts, and summaries, along with mixed memory that combines these components. In addition, we evaluate three widely used memory retrieval methods: single-step retrieval, reranking, and iterative retrieval. Extensive experiments conducted across four tasks and six datasets yield the following key insights: (1) Different memory structures offer distinct advantages, enabling them to be tailored to specific tasks; (2) Mixed memory structures demonstrate remarkable resilience in noisy environments; (3) Iterative retrieval consistently outperforms other methods across various scenarios. Our investigation aims to inspire further research into the design of memory systems for LLM-based agents.

In recent years, the rapid development of large language models (LLMs) has brought new vitality to the various domains and generated substantial social and economic benefits. However, the swift advancement of LLMs has introduced new security vulnerabilities. Jailbreak, a form of attack that induces LLMs to output harmful content through carefully crafted prompts, poses a challenge to the safe and trustworthy development of LLMs. Previous jailbreak attack methods primarily exploited the internal capabilities of the model. Among them, one category leverages the model's implicit capabilities for jailbreak attacks, where the attacker is unaware of the exact reasons for the attack's success. The other category utilizes the model's explicit capabilities for jailbreak attacks, where the attacker understands the reasons for the attack's success. For example, these attacks exploit the model's abilities in coding, contextual learning, or understanding ASCII characters. However, these earlier jailbreak attacks have certain limitations, as they only exploit the inherent capabilities of the model. In this paper, we propose a novel jailbreak method, SQL Injection Jailbreak (SIJ), which utilizes the construction of input prompts by LLMs to inject jailbreak information into user prompts, enabling successful jailbreak of the LLMs. Our SIJ method achieves nearly 100\% attack success rates on five well-known open-source LLMs in the context of AdvBench, while incurring lower time costs compared to previous methods. More importantly, SIJ reveals a new vulnerability in LLMs that urgently needs to be addressed. To this end, we propose a defense method called Self-Reminder-Key and demonstrate its effectiveness through experiments. Our code is available at https://github.com/weiyezhimeng/SQL-Injection-Jailbreak{https://github.com/weiyezhimeng/SQL-Injection-Jailbreak}.

Graph contrastive learning (GCL) has become a powerful tool for learning graph data, but its scalability remains a significant challenge. In this work, we propose a simple yet effective training framework called Structural Compression (StructComp) to address this issue. Inspired by a sparse low-rank approximation on the diffusion matrix, StructComp trains the encoder with the compressed nodes. This allows the encoder not to perform any message passing during the training stage, and significantly reduces the number of sample pairs in the contrastive loss. We theoretically prove that the original GCL loss can be approximated with the contrastive loss computed by StructComp. Moreover, StructComp can be regarded as an additional regularization term for GCL models, resulting in a more robust encoder. Empirical studies on seven benchmark datasets show that StructComp greatly reduces the time and memory consumption while improving model performance compared to the vanilla GCL models and scalable training methods.

Strong inductive biases enable learning from little data and help generalization outside of the training distribution. Popular neural architectures such as Transformers lack strong structural inductive biases for seq2seq NLP tasks on their own. Consequently, they struggle with systematic generalization beyond the training distribution, e.g. with extrapolating to longer inputs, even when pre-trained on large amounts of text. We show how a structural inductive bias can be efficiently injected into a seq2seq model by pre-training it to simulate structural transformations on synthetic data. Specifically, we inject an inductive bias towards Finite State Transducers (FSTs) into a Transformer by pre-training it to simulate FSTs given their descriptions. Our experiments show that our method imparts the desired inductive bias, resulting in improved systematic generalization and better few-shot learning for FST-like tasks. Our analysis shows that fine-tuned models accurately capture the state dynamics of the unseen underlying FSTs, suggesting that the simulation process is internalized by the fine-tuned model.

Recently, Neural Radiance Field (NeRF) has shown great success in rendering novel-view images of a given scene by learning an implicit representation with only posed RGB images. NeRF and relevant neural field methods (e.g., neural surface representation) typically optimize a point-wise loss and make point-wise predictions, where one data point corresponds to one pixel. Unfortunately, this line of research failed to use the collective supervision of distant pixels, although it is known that pixels in an image or scene can provide rich structural information. To the best of our knowledge, we are the first to design a nonlocal multiplex training paradigm for NeRF and relevant neural field methods via a novel Stochastic Structural SIMilarity (S3IM) loss that processes multiple data points as a whole set instead of process multiple inputs independently. Our extensive experiments demonstrate the unreasonable effectiveness of S3IM in improving NeRF and neural surface representation for nearly free. The improvements of quality metrics can be particularly significant for those relatively difficult tasks: e.g., the test MSE loss unexpectedly drops by more than 90% for TensoRF and DVGO over eight novel view synthesis tasks; a 198% F-score gain and a 64% Chamfer L_{1} distance reduction for NeuS over eight surface reconstruction tasks. Moreover, S3IM is consistently robust even with sparse inputs, corrupted images, and dynamic scenes.

Multi-task learning has the potential to improve generalization by maximizing positive transfer between tasks while reducing task interference. Fully achieving this potential is hindered by manually designed architectures that remain static throughout training. On the contrary, learning in the brain occurs through structural changes that are in tandem with changes in synaptic strength. Thus, we propose Multi-Task Structural Learning (MTSL) that simultaneously learns the multi-task architecture and its parameters. MTSL begins with an identical single-task network for each task and alternates between a task-learning phase and a structural-learning phase. In the task learning phase, each network specializes in the corresponding task. In each of the structural learning phases, starting from the earliest layer, locally similar task layers first transfer their knowledge to a newly created group layer before being removed. MTSL then uses the group layer in place of the corresponding removed task layers and moves on to the next layers. Our empirical results show that MTSL achieves competitive generalization with various baselines and improves robustness to out-of-distribution data.

Models of many engineering and natural systems are imperfect. The discrepancy between the mathematical representations of a true physical system and its imperfect model is called the model error. These model errors can lead to substantial differences between the numerical solutions of the model and the state of the system, particularly in those involving nonlinear, multi-scale phenomena. Thus, there is increasing interest in reducing model errors, particularly by leveraging the rapidly growing observational data to understand their physics and sources. Here, we introduce a framework named MEDIDA: Model Error Discovery with Interpretability and Data Assimilation. MEDIDA only requires a working numerical solver of the model and a small number of noise-free or noisy sporadic observations of the system. In MEDIDA, first the model error is estimated from differences between the observed states and model-predicted states (the latter are obtained from a number of one-time-step numerical integrations from the previous observed states). If observations are noisy, a data assimilation (DA) technique such as ensemble Kalman filter (EnKF) is employed to provide the analysis state of the system, which is then used to estimate the model error. Finally, an equation-discovery technique, here the relevance vector machine (RVM), a sparsity-promoting Bayesian method, is used to identify an interpretable, parsimonious, and closed-form representation of the model error. Using the chaotic Kuramoto-Sivashinsky (KS) system as the test case, we demonstrate the excellent performance of MEDIDA in discovering different types of structural/parametric model errors, representing different types of missing physics, using noise-free and noisy observations.

Time series analysis and forecasting of stock market prices has been a very active area of research over the last two decades. Availability of extremely fast and parallel architecture of computing and sophisticated algorithms has made it possible to extract, store, process and analyze high volume stock market time series data very efficiently. In this paper, we have used time series data of the two sectors of the Indian economy: Information Technology and Capital Goods for the period January 2009 till April 2016 and have studied the relationships of these two time series with the time series of DJIA index, NIFTY index and the US Dollar to Indian Rupee exchange rate. We establish by graphical and statistical tests that while the IT sector of India has a strong association with DJIA index and the Dollar to Rupee exchange rate, the Indian CG sector exhibits a strong association with the NIFTY index. We contend that these observations corroborate our hypotheses that the Indian IT sector is strongly coupled with the world economy whereas the CG sector of India reflects internal economic growth of India. We also present several models of regression between the time series which exhibit strong association among them. The effectiveness of these models have been demonstrated by very low values of their forecasting errors.

Despite significant advances in large-scale text-to-image models, achieving hyper-realistic human image generation remains a desirable yet unsolved task. Existing models like Stable Diffusion and DALL-E 2 tend to generate human images with incoherent parts or unnatural poses. To tackle these challenges, our key insight is that human image is inherently structural over multiple granularities, from the coarse-level body skeleton to fine-grained spatial geometry. Therefore, capturing such correlations between the explicit appearance and latent structure in one model is essential to generate coherent and natural human images. To this end, we propose a unified framework, HyperHuman, that generates in-the-wild human images of high realism and diverse layouts. Specifically, 1) we first build a large-scale human-centric dataset, named HumanVerse, which consists of 340M images with comprehensive annotations like human pose, depth, and surface normal. 2) Next, we propose a Latent Structural Diffusion Model that simultaneously denoises the depth and surface normal along with the synthesized RGB image. Our model enforces the joint learning of image appearance, spatial relationship, and geometry in a unified network, where each branch in the model complements to each other with both structural awareness and textural richness. 3) Finally, to further boost the visual quality, we propose a Structure-Guided Refiner to compose the predicted conditions for more detailed generation of higher resolution. Extensive experiments demonstrate that our framework yields the state-of-the-art performance, generating hyper-realistic human images under diverse scenarios. Project Page: https://snap-research.github.io/HyperHuman/

The recent amalgamation of transformer and convolutional designs has led to steady improvements in accuracy and efficiency of the models. In this work, we introduce FastViT, a hybrid vision transformer architecture that obtains the state-of-the-art latency-accuracy trade-off. To this end, we introduce a novel token mixing operator, RepMixer, a building block of FastViT, that uses structural reparameterization to lower the memory access cost by removing skip-connections in the network. We further apply train-time overparametrization and large kernel convolutions to boost accuracy and empirically show that these choices have minimal effect on latency. We show that - our model is 3.5x faster than CMT, a recent state-of-the-art hybrid transformer architecture, 4.9x faster than EfficientNet, and 1.9x faster than ConvNeXt on a mobile device for the same accuracy on the ImageNet dataset. At similar latency, our model obtains 4.2% better Top-1 accuracy on ImageNet than MobileOne. Our model consistently outperforms competing architectures across several tasks -- image classification, detection, segmentation and 3D mesh regression with significant improvement in latency on both a mobile device and a desktop GPU. Furthermore, our model is highly robust to out-of-distribution samples and corruptions, improving over competing robust models.

Arbitrary-scale video super-resolution (AVSR) aims to enhance the resolution of video frames, potentially at various scaling factors, which presents several challenges regarding spatial detail reproduction, temporal consistency, and computational complexity. In this paper, we first describe a strong baseline for AVSR by putting together three variants of elementary building blocks: 1) a flow-guided recurrent unit that aggregates spatiotemporal information from previous frames, 2) a flow-refined cross-attention unit that selects spatiotemporal information from future frames, and 3) a hyper-upsampling unit that generates scaleaware and content-independent upsampling kernels. We then introduce ST-AVSR by equipping our baseline with a multi-scale structural and textural prior computed from the pre-trained VGG network. This prior has proven effective in discriminating structure and texture across different locations and scales, which is beneficial for AVSR. Comprehensive experiments show that ST-AVSR significantly improves super-resolution quality, generalization ability, and inference speed over the state-of-theart. The code is available at https://github.com/shangwei5/ST-AVSR.

Many production processes are characterized by numerous and complex cause-and-effect relationships. Since they are only partially known they pose a challenge to effective process control. In this work we present how Structural Equation Models can be used for deriving cause-and-effect relationships from the combination of prior knowledge and process data in the manufacturing domain. Compared to existing applications, we do not assume linear relationships leading to more informative results.

The recent advancements in large language models (LLMs) have significantly improved language understanding and generation capabilities. However, it is difficult to deploy LLMs on resource-constrained edge devices due to their high computational and storage resource demands. To address this issue, we propose a novel LLM model pruning method, namely structurally-aware adaptive pruning (SAAP), to significantly reduce the computational and memory costs while maintaining model performance. We first define an adaptive importance fusion metric to evaluate the importance of all coupled structures in LLMs by considering their homoscedastic uncertainty. Then, we rank the importance of all modules to determine the specific layers that should be pruned to meet particular performance requirements. Furthermore, we develop a new group fine-tuning strategy to improve the inference efficiency of LLMs. Finally, we evaluate the proposed SAAP method on multiple LLMs across two common tasks, i.e., zero-shot classification and text generation. Experimental results show that our SAAP method outperforms several state-of-the-art baseline methods, achieving 2.17%, 2.37%, and 2.39% accuracy gains on LLaMA-7B, Vicuna-7B, and LLaMA-13B. Additionally, SAAP improves the token generation speed by 5%, showcasing its practical advantages in resource-constrained scenarios.

Transformer-based Large Language Models (LLMs) have demonstrated remarkable success across various challenging tasks. However, the deployment of LLMs is hindered by their substantial parameter count and memory consumption. Recently, numerous studies have attempted to compress LLMs by pruning them using training-free methods. However, these pruned models often experience significant performance degradation on complex tasks. To address this issue, we propose a novel training pipeline for semi-structured sparse models, named Adaptive Sparse Trainer (AST). By distilling the knowledge stored in its dense counterpart, we prevent the sparse model from overfitting and ensure a stable training process. Moreover, AST allows the model to adaptively select better lottery tickets (e.g., masks) during training. Additionally, we discovered that adding extra well-initialized parameters can further enhance model performance with only a small increase in memory footprint. Our method significantly narrows the performance gap between dense and sparse models while maintaining limited computational cost. Furthermore, when combined with existing quantization methods, AST can compress language models by up to 16x compared to dense FP32 precision models with minimal performance loss. AST outperforms previous state-of-the-art methods by reducing the zero-shot accuracy gap between dense and semi-structured sparse models to 1.12% across multiple zero-shot tasks on Llama2-7B, using less than 0.4% of the pretraining tokens.

Recently, machine unlearning, which seeks to erase specific data stored in the pre-trained or fine-tuned models, has emerged as a crucial protective measure for LLMs. However, unlearning approaches for LLMs that have been considered thus far have focused on the removal of independent data points and have not taken into account that the stored facts are logically connected to one another and form an implicit knowledge graph. To facilitate the development of structural unlearning methods, which are essential for the practical application of unlearning, we propose PISTOL, a pipeline for compiling multi-scenario datasets for benchmarking structural LLM unlearning. Additionally, leveraging sample datasets synthesized using PISTOL, we conducted benchmarks with four distinct unlearning methods on both Llama2-7B and Mistral-7B models. This analysis helps to illustrate the prevailing challenges in effectively and robustly removing highly inter-connected data, batched data, or data skewed towards a specific domain. It also highlights the choice of pre-trained model can impact unlearning performance. This work not only advances our understandings on the limitation of current LLMs unlearning methods and proposes future research directions, but also provides a replicable framework for ongoing exploration and validation in the field.

In the realm of resource-constrained mobile vision tasks, the pursuit of efficiency and performance consistently drives innovation in lightweight Convolutional Neural Networks (CNNs) and Vision Transformers (ViTs). While ViTs excel at capturing global context through self-attention mechanisms, their deployment in resource-limited environments is hindered by computational complexity and latency. Conversely, lightweight CNNs are favored for their parameter efficiency and low latency. This study investigates the complementary advantages of CNNs and ViTs to develop a versatile vision backbone tailored for resource-constrained applications. We introduce RepNeXt, a novel model series integrates multi-scale feature representations and incorporates both serial and parallel structural reparameterization (SRP) to enhance network depth and width without compromising inference speed. Extensive experiments demonstrate RepNeXt's superiority over current leading lightweight CNNs and ViTs, providing advantageous latency across various vision benchmarks. RepNeXt-M4 matches RepViT-M1.5's 82.3\% accuracy on ImageNet within 1.5ms on an iPhone 12, outperforms its AP^{box} by 1.3 on MS-COCO, and reduces parameters by 0.7M. Codes and models are available at https://github.com/suous/RepNeXt.

The Knowledge Graph Entity Typing (KGET) task aims to predict missing type annotations for entities in knowledge graphs. Recent works only utilize the \textbf{structural knowledge} in the local neighborhood of entities, disregarding \textbf{semantic knowledge} in the textual representations of entities, relations, and types that are also crucial for type inference. Additionally, we observe that the interaction between semantic and structural knowledge can be utilized to address the false-negative problem. In this paper, we propose a novel \underline{S}emantic and \underline{S}tructure-aware KG \underline{E}ntity \underline{T}yping~{(SSET)} framework, which is composed of three modules. First, the Semantic Knowledge Encoding module encodes factual knowledge in the KG with a Masked Entity Typing task. Then, the Structural Knowledge Aggregation module aggregates knowledge from the multi-hop neighborhood of entities to infer missing types. Finally, the Unsupervised Type Re-ranking module utilizes the inference results from the two models above to generate type predictions that are robust to false-negative samples. Extensive experiments show that SSET significantly outperforms existing state-of-the-art methods.

Large-scale pre-trained Vision Language Models (VLMs) have proven effective for zero-shot classification. Despite the success, most traditional VLMs-based methods are restricted by the assumption of partial source supervision or ideal vocabularies, which rarely satisfy the open-world scenario. In this paper, we aim at a more challenging setting, Realistic Zero-Shot Classification, which assumes no annotation but instead a broad vocabulary. To address this challenge, we propose the Self Structural Semantic Alignment (S^3A) framework, which extracts the structural semantic information from unlabeled data while simultaneously self-learning. Our S^3A framework adopts a unique Cluster-Vote-Prompt-Realign (CVPR) algorithm, which iteratively groups unlabeled data to derive structural semantics for pseudo-supervision. Our CVPR process includes iterative clustering on images, voting within each cluster to identify initial class candidates from the vocabulary, generating discriminative prompts with large language models to discern confusing candidates, and realigning images and the vocabulary as structural semantic alignment. Finally, we propose to self-learn the CLIP image encoder with both individual and structural semantic alignment through a teacher-student learning strategy. Our comprehensive experiments across various generic and fine-grained benchmarks demonstrate that the S^3A method offers substantial improvements over existing VLMs-based approaches, achieving a more than 15% accuracy improvement over CLIP on average. Our codes, models, and prompts are publicly released at https://github.com/sheng-eatamath/S3A.

The artifact used for evaluating the experimental results of Measuring and Mitigating Gaps in Structural Testing is publicly available on GitHub, Software Heritage and figshare, and is reusable. The artifact consists of necessary data, tools, scripts, and detailed documentation for running the experiments and reproducing the results shown in the paper. We have also provided a VirtualBox VM image allowing users to quickly setup and reproduce the results. Users are expected to be familiar using the VirtualBox software and Linux platform for evaluating or reusing the artifact.

Accurate prediction of knee osteoarthritis (KOA) progression from structural MRI has a potential to enhance disease understanding and support clinical trials. Prior art focused on manually designed imaging biomarkers, which may not fully exploit all disease-related information present in MRI scan. In contrast, our method learns relevant representations from raw data end-to-end using Deep Learning, and uses them for progression prediction. The method employs a 2D CNN to process the data slice-wise and aggregate the extracted features using a Transformer. Evaluated on a large cohort (n=4,866), the proposed method outperforms conventional 2D and 3D CNN-based models and achieves average precision of 0.58pm0.03 and ROC AUC of 0.78pm0.01. This paper sets a baseline on end-to-end KOA progression prediction from structural MRI. Our code is publicly available at https://github.com/MIPT-Oulu/OAProgressionMR.

While most network embedding techniques model the relative positions of nodes in a network, recently there has been significant interest in structural embeddings that model node role equivalences, irrespective of their distances to any specific nodes. We present PhUSION, a proximity-based unified framework for computing structural and positional node embeddings, which leverages well-established methods for calculating node proximity scores. Clarifying a point of contention in the literature, we show which step of PhUSION produces the different kinds of embeddings and what steps can be used by both. Moreover, by aggregating the PhUSION node embeddings, we obtain graph-level features that model information lost by previous graph feature learning and kernel methods. In a comprehensive empirical study with over 10 datasets, 4 tasks, and 35 methods, we systematically reveal successful design choices for node and graph-level machine learning with embeddings.

Web search is an essential way for humans to obtain information, but it's still a great challenge for machines to understand the contents of web pages. In this paper, we introduce the task of structural reading comprehension (SRC) on web. Given a web page and a question about it, the task is to find the answer from the web page. This task requires a system not only to understand the semantics of texts but also the structure of the web page. Moreover, we proposed WebSRC, a novel Web-based Structural Reading Comprehension dataset. WebSRC consists of 400K question-answer pairs, which are collected from 6.4K web pages. Along with the QA pairs, corresponding HTML source code, screenshots, and metadata are also provided in our dataset. Each question in WebSRC requires a certain structural understanding of a web page to answer, and the answer is either a text span on the web page or yes/no. We evaluate various baselines on our dataset to show the difficulty of our task. We also investigate the usefulness of structural information and visual features. Our dataset and baselines have been publicly available at https://x-lance.github.io/WebSRC/.

Creating a vivid video from the event or scenario in our imagination is a truly fascinating experience. Recent advancements in text-to-video synthesis have unveiled the potential to achieve this with prompts only. While text is convenient in conveying the overall scene context, it may be insufficient to control precisely. In this paper, we explore customized video generation by utilizing text as context description and motion structure (e.g. frame-wise depth) as concrete guidance. Our method, dubbed Make-Your-Video, involves joint-conditional video generation using a Latent Diffusion Model that is pre-trained for still image synthesis and then promoted for video generation with the introduction of temporal modules. This two-stage learning scheme not only reduces the computing resources required, but also improves the performance by transferring the rich concepts available in image datasets solely into video generation. Moreover, we use a simple yet effective causal attention mask strategy to enable longer video synthesis, which mitigates the potential quality degradation effectively. Experimental results show the superiority of our method over existing baselines, particularly in terms of temporal coherence and fidelity to users' guidance. In addition, our model enables several intriguing applications that demonstrate potential for practical usage.

Cross-modal garment synthesis and manipulation will significantly benefit the way fashion designers generate garments and modify their designs via flexible linguistic interfaces.Current approaches follow the general text-to-image paradigm and mine cross-modal relations via simple cross-attention modules, neglecting the structural correspondence between visual and textual representations in the fashion design domain. In this work, we instead introduce DiffCloth, a diffusion-based pipeline for cross-modal garment synthesis and manipulation, which empowers diffusion models with flexible compositionality in the fashion domain by structurally aligning the cross-modal semantics. Specifically, we formulate the part-level cross-modal alignment as a bipartite matching problem between the linguistic Attribute-Phrases (AP) and the visual garment parts which are obtained via constituency parsing and semantic segmentation, respectively. To mitigate the issue of attribute confusion, we further propose a semantic-bundled cross-attention to preserve the spatial structure similarities between the attention maps of attribute adjectives and part nouns in each AP. Moreover, DiffCloth allows for manipulation of the generated results by simply replacing APs in the text prompts. The manipulation-irrelevant regions are recognized by blended masks obtained from the bundled attention maps of the APs and kept unchanged. Extensive experiments on the CM-Fashion benchmark demonstrate that DiffCloth both yields state-of-the-art garment synthesis results by leveraging the inherent structural information and supports flexible manipulation with region consistency.

Acceleration of large language model pre-training is a critical issue in present NLP research. In this paper, we focus on speeding up pre-training by progressively growing from a small Transformer structure to a large one. There are two main research problems related to progressive growth: growth schedule and growth operator. For growth schedule, existing work has explored multi-stage expansion of depth and feedforward layers. However, the impact of each dimension on the schedule's efficiency is still an open question. For growth operator, existing work relies on the initialization of new weights to inherit knowledge, and achieve only non-strict function preservation, limiting further optimization of training dynamics. To address these issues, we propose Masked Structural Growth (MSG), including growth schedules involving all possible dimensions and strictly function-preserving growth operators that is independent of the initialization of new weights. Experiments show that MSG is significantly faster than related work: we achieve a speed-up of 80% for Bert-base and 120% for Bert-large pre-training. Moreover, MSG is able to improve fine-tuning performances at the same time.

The industrial application motivating this work is the fatigue computation of aircraft engines' high-pressure turbine blades. The material model involves nonlinear elastoviscoplastic behavior laws, for which the parameters depend on the temperature. For this application, the temperature loading is not accurately known and can reach values relatively close to the creep temperature: important nonlinear effects occur and the solution strongly depends on the used thermal loading. We consider a nonlinear reduced order model able to compute, in the exploitation phase, the behavior of the blade for a new temperature field loading. The sensitivity of the solution to the temperature makes {the classical unenriched proper orthogonal decomposition method} fail. In this work, we propose a new error indicator, quantifying the error made by the reduced order model in computational complexity independent of the size of the high-fidelity reference model. In our framework, when the {error indicator} becomes larger than a given tolerance, the reduced order model is updated using one time step solution of the high-fidelity reference model. The approach is illustrated on a series of academic test cases and applied on a setting of industrial complexity involving 5 million degrees of freedom, where the whole procedure is computed in parallel with distributed memory.

In this work, we propose a framework that constructs reduced order models for nonlinear structural mechanics in a nonintrusive fashion, and can handle large scale simulations. We identify three steps that are carried out separately in time, and possibly on different devices: (i) the production of high-fidelity solutions by a commercial software, (ii) the offline stage of the model reduction and (iii) the online stage where the reduced order model is exploited. The nonintrusivity assumes that only the displacement field solution is known, and relies on operations on simulation data during the offline phase by using an in-house code. The compatibility with a new commercial code only needs the implementation of a routine converting the mesh and result format into our in-house data format. The nonintrusive capabilities of the framework are demonstrated on numerical experiments using commercial versions of the finite element softwares Zset and Ansys Mechanical. The nonlinear constitutive equations are evaluated by using the same external plugins as for Zset or Ansys Mechanical. The large scale simulations are handled using domain decomposition and parallel computing with distributed memory. The features and performances of the framework are evaluated on two numerical applications involving elastoviscoplastic materials: the second one involves a model of high-pressure blade, where the framework is used to extrapolate cyclic loadings in 6.5 hours, whereas the reference high-fidelity computation would take 9.5 days.

Recent advances in text-to-image (T2I) generation have shown remarkable success in producing high-quality images from text. However, existing T2I models show decayed performance in compositional image generation involving multiple objects and intricate relationships. We attribute this problem to limitations in existing datasets of image-text pairs, which lack precise inter-object relationship annotations with prompts only. To address this problem, we construct LAION-SG, a large-scale dataset with high-quality structural annotations of scene graphs (SG), which precisely describe attributes and relationships of multiple objects, effectively representing the semantic structure in complex scenes. Based on LAION-SG, we train a new foundation model SDXL-SG to incorporate structural annotation information into the generation process. Extensive experiments show advanced models trained on our LAION-SG boast significant performance improvements in complex scene generation over models on existing datasets. We also introduce CompSG-Bench, a benchmark that evaluates models on compositional image generation, establishing a new standard for this domain.

Large Language Models (LLMs) have demonstrated remarkable abilities in tackling a wide range of complex tasks. However, their huge computational and memory costs raise significant challenges in deploying these models on resource-constrained devices or efficiently serving them. Prior approaches have attempted to alleviate these problems by permanently removing less important model structures, yet these methods often result in substantial performance degradation due to the permanent deletion of model parameters. In this work, we tried to mitigate this issue by reducing the number of active parameters without permanently removing them. Specifically, we introduce a differentiable dynamic pruning method that pushes dense models to maintain a fixed number of active parameters by converting their MLP layers into a Mixture of Experts (MoE) architecture. Our method, even without fine-tuning, consistently outperforms previous structural pruning techniques across diverse model families, including Phi-2, LLaMA-2, LLaMA-3, and Qwen-2.5.

Structural re-parameterization is a general training scheme for Convolutional Neural Networks (CNNs), which achieves performance improvement without increasing inference cost. As Vision Transformers (ViTs) are gradually surpassing CNNs in various visual tasks, one may question: if a training scheme specifically for ViTs exists that can also achieve performance improvement without increasing inference cost? Recently, Mixture-of-Experts (MoE) has attracted increasing attention, as it can efficiently scale up the capacity of Transformers at a fixed cost through sparsely activated experts. Considering that MoE can also be viewed as a multi-branch structure, can we utilize MoE to implement a ViT training scheme similar to structural re-parameterization? In this paper, we affirmatively answer these questions, with a new general training strategy for ViTs. Specifically, we decouple the training and inference phases of ViTs. During training, we replace some Feed-Forward Networks (FFNs) of the ViT with specially designed, more efficient MoEs that assign tokens to experts by random uniform partition, and perform Experts Weights Averaging (EWA) on these MoEs at the end of each iteration. After training, we convert each MoE into an FFN by averaging the experts, transforming the model back into original ViT for inference. We further provide a theoretical analysis to show why and how it works. Comprehensive experiments across various 2D and 3D visual tasks, ViT architectures, and datasets validate the effectiveness and generalizability of the proposed training scheme. Besides, our training scheme can also be applied to improve performance when fine-tuning ViTs. Lastly, but equally important, the proposed EWA technique can significantly improve the effectiveness of naive MoE in various 2D visual small datasets and 3D visual tasks.

Large language models (LLMs) excel in language tasks, especially with supervised fine-tuning after pre-training. However, their substantial memory and computational requirements hinder practical applications. Structural pruning, which reduces less significant weight dimensions, is one solution. Yet, traditional post-hoc pruning often leads to significant performance loss, with limited recovery from further fine-tuning due to reduced capacity. Since the model fine-tuning refines the general and chaotic knowledge in pre-trained models, we aim to incorporate structural pruning with the fine-tuning, and propose the Pruning-Aware Tuning (PAT) paradigm to eliminate model redundancy while preserving the model performance to the maximum extend. Specifically, we insert the innovative Hybrid Sparsification Modules (HSMs) between the Attention and FFN components to accordingly sparsify the upstream and downstream linear modules. The HSM comprises a lightweight operator and a globally shared trainable mask. The lightweight operator maintains a training overhead comparable to that of LoRA, while the trainable mask unifies the channels to be sparsified, ensuring structural pruning. Additionally, we propose the Identity Loss which decouples the transformation and scaling properties of the HSMs to enhance training robustness. Extensive experiments demonstrate that PAT excels in both performance and efficiency. For example, our Llama2-7b model with a 25\% pruning ratio achieves 1.33times speedup while outperforming the LoRA-finetuned model by up to 1.26\% in accuracy with a similar training cost. Code: https://github.com/kriskrisliu/PAT_Pruning-Aware-Tuning

Structural Health Monitoring (SHM) plays an indispensable role in ensuring the longevity and safety of infrastructure. With the rapid growth of sensor technology, the volume of data generated from various structures has seen an unprecedented surge, bringing forth challenges in efficient analysis and interpretation. This paper introduces a novel deep learning algorithm tailored for the complexities inherent in multimodal vibration signals prevalent in SHM. By amalgamating convolutional and recurrent architectures, the algorithm adeptly captures both localized and prolonged structural behaviors. The pivotal integration of attention mechanisms further enhances the model's capability, allowing it to discern and prioritize salient structural responses from extraneous noise. Our results showcase significant improvements in predictive accuracy, early damage detection, and adaptability across multiple SHM scenarios. In light of the critical nature of SHM, the proposed approach not only offers a robust analytical tool but also paves the way for more transparent and interpretable AI-driven SHM solutions. Future prospects include real-time processing, integration with external environmental factors, and a deeper emphasis on model interpretability.

A major step toward Artificial General Intelligence (AGI) and Super Intelligence is AI's ability to autonomously conduct research - what we term Artificial Research Intelligence (ARI). If machines could generate hypotheses, conduct experiments, and write research papers without human intervention, it would transform science. Sakana recently introduced the 'AI Scientist', claiming to conduct research autonomously, i.e. they imply to have achieved what we term Artificial Research Intelligence (ARI). The AI Scientist gained much attention, but a thorough independent evaluation has yet to be conducted. Our evaluation of the AI Scientist reveals critical shortcomings. The system's literature reviews produced poor novelty assessments, often misclassifying established concepts (e.g., micro-batching for stochastic gradient descent) as novel. It also struggles with experiment execution: 42% of experiments failed due to coding errors, while others produced flawed or misleading results. Code modifications were minimal, averaging 8% more characters per iteration, suggesting limited adaptability. Generated manuscripts were poorly substantiated, with a median of five citations, most outdated (only five of 34 from 2020 or later). Structural errors were frequent, including missing figures, repeated sections, and placeholder text like 'Conclusions Here'. Some papers contained hallucinated numerical results. Despite these flaws, the AI Scientist represents a leap forward in research automation. It generates full research manuscripts with minimal human input, challenging expectations of AI-driven science. Many reviewers might struggle to distinguish its work from human researchers. While its quality resembles a rushed undergraduate paper, its speed and cost efficiency are unprecedented, producing a full paper for USD 6 to 15 with 3.5 hours of human involvement, far outpacing traditional researchers.

Structural understanding of complex visual objects is an important unsolved component of artificial intelligence. To study this, we develop a new technique for the recently proposed Break-and-Make problem in LTRON where an agent must learn to build a previously unseen LEGO assembly using a single interactive session to gather information about its components and their structure. We attack this problem by building an agent that we call \ours that is able to make its own visual instruction book. By disassembling an unseen assembly and periodically saving images of it, the agent is able to create a set of instructions so that it has the information necessary to rebuild it. These instructions form an explicit memory that allows the model to reason about the assembly process one step at a time, avoiding the need for long-term implicit memory. This in turn allows us to train on much larger LEGO assemblies than has been possible in the past. To demonstrate the power of this model, we release a new dataset of procedurally built LEGO vehicles that contain an average of 31 bricks each and require over one hundred steps to disassemble and reassemble. We train these models using online imitation learning which allows the model to learn from its own mistakes. Finally, we also provide some small improvements to LTRON and the Break-and-Make problem that simplify the learning environment and improve usability.

We introduce a protein language model for determining the complete sequence of a peptide based on measurement of a limited set of amino acids. To date, protein sequencing relies on mass spectrometry, with some novel edman degregation based platforms able to sequence non-native peptides. Current protein sequencing techniques face limitations in accurately identifying all amino acids, hindering comprehensive proteome analysis. Our method simulates partial sequencing data by selectively masking amino acids that are experimentally difficult to identify in protein sequences from the UniRef database. This targeted masking mimics real-world sequencing limitations. We then modify and finetune a ProtBert derived transformer-based model, for a new downstream task predicting these masked residues, providing an approximation of the complete sequence. Evaluating on three bacterial Escherichia species, we achieve per-amino-acid accuracy up to 90.5% when only four amino acids ([KCYM]) are known. Structural assessment using AlphaFold and TM-score validates the biological relevance of our predictions. The model also demonstrates potential for evolutionary analysis through cross-species performance. This integration of simulated experimental constraints with computational predictions offers a promising avenue for enhancing protein sequence analysis, potentially accelerating advancements in proteomics and structural biology by providing a probabilistic reconstruction of the complete protein sequence from limited experimental data.

Structural pruning of neural networks conventionally relies on identifying and discarding less important neurons, a practice often resulting in significant accuracy loss that necessitates subsequent fine-tuning efforts. This paper introduces a novel approach named Intra-Fusion, challenging this prevailing pruning paradigm. Unlike existing methods that focus on designing meaningful neuron importance metrics, Intra-Fusion redefines the overlying pruning procedure. Through utilizing the concepts of model fusion and Optimal Transport, we leverage an agnostically given importance metric to arrive at a more effective sparse model representation. Notably, our approach achieves substantial accuracy recovery without the need for resource-intensive fine-tuning, making it an efficient and promising tool for neural network compression. Additionally, we explore how fusion can be added to the pruning process to significantly decrease the training time while maintaining competitive performance. We benchmark our results for various networks on commonly used datasets such as CIFAR-10, CIFAR-100, and ImageNet. More broadly, we hope that the proposed Intra-Fusion approach invigorates exploration into a fresh alternative to the predominant compression approaches. Our code is available here: https://github.com/alexandertheus/Intra-Fusion.

In this article, we use probing to investigate phenomena that occur during fine-tuning and knowledge distillation of a BERT-based natural language understanding (NLU) model. Our ultimate purpose was to use probing to better understand practical production problems and consequently to build better NLU models. We designed experiments to see how fine-tuning changes the linguistic capabilities of BERT, what the optimal size of the fine-tuning dataset is, and what amount of information is contained in a distilled NLU based on a tiny Transformer. The results of the experiments show that the probing paradigm in its current form is not well suited to answer such questions. Structural, Edge and Conditional probes do not take into account how easy it is to decode probed information. Consequently, we conclude that quantification of information decodability is critical for many practical applications of the probing paradigm.

Structural neural network pruning aims to remove the redundant channels in the deep convolutional neural networks (CNNs) by pruning the filters of less importance to the final output accuracy. To reduce the degradation of performance after pruning, many methods utilize the loss with sparse regularization to produce structured sparsity. In this paper, we analyze these sparsity-training-based methods and find that the regularization of unpruned channels is unnecessary. Moreover, it restricts the network's capacity, which leads to under-fitting. To solve this problem, we propose a novel pruning method, named MaskSparsity, with pruning-aware sparse regularization. MaskSparsity imposes the fine-grained sparse regularization on the specific filters selected by a pruning mask, rather than all the filters of the model. Before the fine-grained sparse regularization of MaskSparity, we can use many methods to get the pruning mask, such as running the global sparse regularization. MaskSparsity achieves 63.03%-FLOPs reduction on ResNet-110 by removing 60.34% of the parameters, with no top-1 accuracy loss on CIFAR-10. On ILSVRC-2012, MaskSparsity reduces more than 51.07% FLOPs on ResNet-50, with only a loss of 0.76% in the top-1 accuracy. The code is released at https://github.com/CASIA-IVA-Lab/MaskSparsity. Moreover, we have integrated the code of MaskSparity into a PyTorch pruning toolkit, EasyPruner, at https://gitee.com/casia_iva_engineer/easypruner.

The topology of the hyperlink graph among pages expressing different opinions may influence the exposure of readers to diverse content. Structural bias may trap a reader in a polarized bubble with no access to other opinions. We model readers' behavior as random walks. A node is in a polarized bubble if the expected length of a random walk from it to a page of different opinion is large. The structural bias of a graph is the sum of the radii of highly-polarized bubbles. We study the problem of decreasing the structural bias through edge insertions. Healing all nodes with high polarized bubble radius is hard to approximate within a logarithmic factor, so we focus on finding the best k edges to insert to maximally reduce the structural bias. We present RePBubLik, an algorithm that leverages a variant of the random walk closeness centrality to select the edges to insert. RePBubLik obtains, under mild conditions, a constant-factor approximation. It reduces the structural bias faster than existing edge-recommendation methods, including some designed to reduce the polarization of a graph.

The CLEVR dataset has been used extensively in language grounded visual reasoning in Machine Learning (ML) and Natural Language Processing (NLP) domains. We present a graph parser library for CLEVR, that provides functionalities for object-centric attributes and relationships extraction, and construction of structural graph representations for dual modalities. Structural order-invariant representations enable geometric learning and can aid in downstream tasks like language grounding to vision, robotics, compositionality, interpretability, and computational grammar construction. We provide three extensible main components - parser, embedder, and visualizer that can be tailored to suit specific learning setups. We also provide out-of-the-box functionality for seamless integration with popular deep graph neural network (GNN) libraries. Additionally, we discuss downstream usage and applications of the library, and how it accelerates research for the NLP research community.

Multi-turn instruction following capability constitutes a core competency of large language models (LLMs) in real-world applications. Existing evaluation benchmarks predominantly focus on fine-grained constraint satisfaction and domain-specific capability assessment, yet overlook the crucial structural dependency between dialogue turns that distinguishes multi-turn from single-turn interactions. This structural dependency not only reflects user intent but also establishes a second dimension for instruction following evaluation beyond constraint satisfaction. To address this gap, we propose StructFlowBench, a multi-turn instruction following benchmark with structural flow modeling. The benchmark innovatively defines a structural flow framework comprising six fundamental inter-turn relationships, which not only introduces novel structural constraints for model evaluation but also serves as generation parameters for creating customized dialogue flows tailored to specific scenarios. Adopting established LLM-based automatic evaluation methodologies, we conduct systematic evaluations of 13 leading open-source and closed-source LLMs. Experimental results reveal significant deficiencies in current models' comprehension of multi-turn dialogue structures. The code is available at https://github.com/MLGroupJLU/StructFlowBench.

We introduce a novel visual tokenization framework that embeds a provable PCA-like structure into the latent token space. While existing visual tokenizers primarily optimize for reconstruction fidelity, they often neglect the structural properties of the latent space -- a critical factor for both interpretability and downstream tasks. Our method generates a 1D causal token sequence for images, where each successive token contributes non-overlapping information with mathematically guaranteed decreasing explained variance, analogous to principal component analysis. This structural constraint ensures the tokenizer extracts the most salient visual features first, with each subsequent token adding diminishing yet complementary information. Additionally, we identified and resolved a semantic-spectrum coupling effect that causes the unwanted entanglement of high-level semantic content and low-level spectral details in the tokens by leveraging a diffusion decoder. Experiments demonstrate that our approach achieves state-of-the-art reconstruction performance and enables better interpretability to align with the human vision system. Moreover, auto-regressive models trained on our token sequences achieve performance comparable to current state-of-the-art methods while requiring fewer tokens for training and inference.

Self-occlusion is common when capturing people in the wild, where the performer do not follow predefined motion scripts. This challenges existing monocular human reconstruction systems that assume full body visibility. We introduce Self-Occluded Avatar Recovery (SOAR), a method for complete human reconstruction from partial observations where parts of the body are entirely unobserved. SOAR leverages structural normal prior and generative diffusion prior to address such an ill-posed reconstruction problem. For structural normal prior, we model human with an reposable surfel model with well-defined and easily readable shapes. For generative diffusion prior, we perform an initial reconstruction and refine it using score distillation. On various benchmarks, we show that SOAR performs favorably than state-of-the-art reconstruction and generation methods, and on-par comparing to concurrent works. Additional video results and code are available at https://soar-avatar.github.io/.

Deep Learning of neural networks has gained prominence in multiple life-critical applications like medical diagnoses and autonomous vehicle accident investigations. However, concerns about model transparency and biases persist. Explainable methods are viewed as the solution to address these challenges. In this study, we introduce the Occlusion Sensitivity Analysis with Deep Feature Augmentation Subspace (OSA-DAS), a novel perturbation-based interpretability approach for computer vision. While traditional perturbation methods make only use of occlusions to explain the model predictions, OSA-DAS extends standard occlusion sensitivity analysis by enabling the integration with diverse image augmentations. Distinctly, our method utilizes the output vector of a DNN to build low-dimensional subspaces within the deep feature vector space, offering a more precise explanation of the model prediction. The structural similarity between these subspaces encompasses the influence of diverse augmentations and occlusions. We test extensively on the ImageNet-1k, and our class- and model-agnostic approach outperforms commonly used interpreters, setting it apart in the realm of explainable AI.

Point cloud completion aims to recover the complete shape based on a partial observation. Existing methods require either complete point clouds or multiple partial observations of the same object for learning. In contrast to previous approaches, we present Partial2Complete (P2C), the first self-supervised framework that completes point cloud objects using training samples consisting of only a single incomplete point cloud per object. Specifically, our framework groups incomplete point clouds into local patches as input and predicts masked patches by learning prior information from different partial objects. We also propose Region-Aware Chamfer Distance to regularize shape mismatch without limiting completion capability, and devise the Normal Consistency Constraint to incorporate a local planarity assumption, encouraging the recovered shape surface to be continuous and complete. In this way, P2C no longer needs multiple observations or complete point clouds as ground truth. Instead, structural cues are learned from a category-specific dataset to complete partial point clouds of objects. We demonstrate the effectiveness of our approach on both synthetic ShapeNet data and real-world ScanNet data, showing that P2C produces comparable results to methods trained with complete shapes, and outperforms methods learned with multiple partial observations. Code is available at https://github.com/CuiRuikai/Partial2Complete.

Temporal Point Processes (TPP) are probabilistic generative frameworks. They model discrete event sequences localized in continuous time. Generally, real-life events reveal descriptive information, known as marks. Marked TPPs model time and marks of the event together for practical relevance. Conditioned on past events, marked TPPs aim to learn the joint distribution of the time and the mark of the next event. For simplicity, conditionally independent TPP models assume time and marks are independent given event history. They factorize the conditional joint distribution of time and mark into the product of individual conditional distributions. This structural limitation in the design of TPP models hurt the predictive performance on entangled time and mark interactions. In this work, we model the conditional inter-dependence of time and mark to overcome the limitations of conditionally independent models. We construct a multivariate TPP conditioning the time distribution on the current event mark in addition to past events. Besides the conventional intensity-based models for conditional joint distribution, we also draw on flexible intensity-free TPP models from the literature. The proposed TPP models outperform conditionally independent and dependent models in standard prediction tasks. Our experimentation on various datasets with multiple evaluation metrics highlights the merit of the proposed approach.

Referring Video Object Segmentation (R-VOS) is a challenging task that aims to segment an object in a video based on a linguistic expression. Most existing R-VOS methods have a critical assumption: the object referred to must appear in the video. This assumption, which we refer to as semantic consensus, is often violated in real-world scenarios, where the expression may be queried against false videos. In this work, we highlight the need for a robust R-VOS model that can handle semantic mismatches. Accordingly, we propose an extended task called Robust R-VOS, which accepts unpaired video-text inputs. We tackle this problem by jointly modeling the primary R-VOS problem and its dual (text reconstruction). A structural text-to-text cycle constraint is introduced to discriminate semantic consensus between video-text pairs and impose it in positive pairs, thereby achieving multi-modal alignment from both positive and negative pairs. Our structural constraint effectively addresses the challenge posed by linguistic diversity, overcoming the limitations of previous methods that relied on the point-wise constraint. A new evaluation dataset, R2-Youtube-VOSis constructed to measure the model robustness. Our model achieves state-of-the-art performance on R-VOS benchmarks, Ref-DAVIS17 and Ref-Youtube-VOS, and also our R2-Youtube-VOS~dataset.

Spreadsheets, with their extensive two-dimensional grids, various layouts, and diverse formatting options, present notable challenges for large language models (LLMs). In response, we introduce SpreadsheetLLM, pioneering an efficient encoding method designed to unleash and optimize LLMs' powerful understanding and reasoning capability on spreadsheets. Initially, we propose a vanilla serialization approach that incorporates cell addresses, values, and formats. However, this approach was limited by LLMs' token constraints, making it impractical for most applications. To tackle this challenge, we develop SheetCompressor, an innovative encoding framework that compresses spreadsheets effectively for LLMs. It comprises three modules: structural-anchor-based compression, inverse index translation, and data-format-aware aggregation. It significantly improves performance in spreadsheet table detection task, outperforming the vanilla approach by 25.6% in GPT4's in-context learning setting. Moreover, fine-tuned LLM with SheetCompressor has an average compression ratio of 25 times, but achieves a state-of-the-art 78.9% F1 score, surpassing the best existing models by 12.3%. Finally, we propose Chain of Spreadsheet for downstream tasks of spreadsheet understanding and validate in a new and demanding spreadsheet QA task. We methodically leverage the inherent layout and structure of spreadsheets, demonstrating that SpreadsheetLLM is highly effective across a variety of spreadsheet tasks.

In this paper, we present OtterHD-8B, an innovative multimodal model evolved from Fuyu-8B, specifically engineered to interpret high-resolution visual inputs with granular precision. Unlike conventional models that are constrained by fixed-size vision encoders, OtterHD-8B boasts the ability to handle flexible input dimensions, ensuring its versatility across various inference requirements. Alongside this model, we introduce MagnifierBench, an evaluation framework designed to scrutinize models' ability to discern minute details and spatial relationships of small objects. Our comparative analysis reveals that while current leading models falter on this benchmark, OtterHD-8B, particularly when directly processing high-resolution inputs, outperforms its counterparts by a substantial margin. The findings illuminate the structural variances in visual information processing among different models and the influence that the vision encoders' pre-training resolution disparities have on model effectiveness within such benchmarks. Our study highlights the critical role of flexibility and high-resolution input capabilities in large multimodal models and also exemplifies the potential inherent in the Fuyu architecture's simplicity for handling complex visual data.

Proteins are essential macromolecules defined by their amino acid sequences, which determine their three-dimensional structures and, consequently, their functions in all living organisms. Therefore, generative protein modeling necessitates a multimodal approach to simultaneously model, understand, and generate both sequences and structures. However, existing methods typically use separate models for each modality, limiting their ability to capture the intricate relationships between sequence and structure. This results in suboptimal performance in tasks that requires joint understanding and generation of both modalities. In this paper, we introduce DPLM-2, a multimodal protein foundation model that extends discrete diffusion protein language model (DPLM) to accommodate both sequences and structures. To enable structural learning with the language model, 3D coordinates are converted to discrete tokens using a lookup-free quantization-based tokenizer. By training on both experimental and high-quality synthetic structures, DPLM-2 learns the joint distribution of sequence and structure, as well as their marginals and conditionals. We also implement an efficient warm-up strategy to exploit the connection between large-scale evolutionary data and structural inductive biases from pre-trained sequence-based protein language models. Empirical evaluation shows that DPLM-2 can simultaneously generate highly compatible amino acid sequences and their corresponding 3D structures eliminating the need for a two-stage generation approach. Moreover, DPLM-2 demonstrates competitive performance in various conditional generation tasks, including folding, inverse folding, and scaffolding with multimodal motif inputs, as well as providing structure-aware representations for predictive tasks.

Large Language Models (LLMs) excel in stand-alone code tasks like HumanEval and MBPP, but struggle with handling entire code repositories. This challenge has prompted research on enhancing LLM-codebase interaction at a repository scale. Current solutions rely on similarity-based retrieval or manual tools and APIs, each with notable drawbacks. Similarity-based retrieval often has low recall in complex tasks, while manual tools and APIs are typically task-specific and require expert knowledge, reducing their generalizability across diverse code tasks and real-world applications. To mitigate these limitations, we introduce \framework, a system that integrates LLM agents with graph database interfaces extracted from code repositories. By leveraging the structural properties of graph databases and the flexibility of the graph query language, \framework enables the LLM agent to construct and execute queries, allowing for precise, code structure-aware context retrieval and code navigation. We assess \framework using three benchmarks: CrossCodeEval, SWE-bench, and EvoCodeBench. Additionally, we develop five real-world coding applications. With a unified graph database schema, \framework demonstrates competitive performance and potential in both academic and real-world environments, showcasing its versatility and efficacy in software engineering. Our application demo: https://github.com/modelscope/modelscope-agent/tree/master/apps/codexgraph_agent.

In the rapidly evolving domain of digital content generation, the focus has shifted from text-to-image (T2I) models to more advanced video diffusion models, notably text-to-video (T2V) and image-to-video (I2V). This paper addresses the intricate challenge posed by I2V: converting static images into dynamic, lifelike video sequences while preserving the original image fidelity. Traditional methods typically involve integrating entire images into diffusion processes or using pretrained encoders for cross attention. However, these approaches often necessitate altering the fundamental weights of T2I models, thereby restricting their reusability. We introduce a novel solution, namely I2V-Adapter, designed to overcome such limitations. Our approach preserves the structural integrity of T2I models and their inherent motion modules. The I2V-Adapter operates by processing noised video frames in parallel with the input image, utilizing a lightweight adapter module. This module acts as a bridge, efficiently linking the input to the model's self-attention mechanism, thus maintaining spatial details without requiring structural changes to the T2I model. Moreover, I2V-Adapter requires only a fraction of the parameters of conventional models and ensures compatibility with existing community-driven T2I models and controlling tools. Our experimental results demonstrate I2V-Adapter's capability to produce high-quality video outputs. This performance, coupled with its versatility and reduced need for trainable parameters, represents a substantial advancement in the field of AI-driven video generation, particularly for creative applications.

Video generative models are receiving particular attention given their ability to generate realistic and imaginative frames. Besides, these models are also observed to exhibit strong 3D consistency, significantly enhancing their potential to act as world simulators. In this work, we present Vidu4D, a novel reconstruction model that excels in accurately reconstructing 4D (i.e., sequential 3D) representations from single generated videos, addressing challenges associated with non-rigidity and frame distortion. This capability is pivotal for creating high-fidelity virtual contents that maintain both spatial and temporal coherence. At the core of Vidu4D is our proposed Dynamic Gaussian Surfels (DGS) technique. DGS optimizes time-varying warping functions to transform Gaussian surfels (surface elements) from a static state to a dynamically warped state. This transformation enables a precise depiction of motion and deformation over time. To preserve the structural integrity of surface-aligned Gaussian surfels, we design the warped-state geometric regularization based on continuous warping fields for estimating normals. Additionally, we learn refinements on rotation and scaling parameters of Gaussian surfels, which greatly alleviates texture flickering during the warping process and enhances the capture of fine-grained appearance details. Vidu4D also contains a novel initialization state that provides a proper start for the warping fields in DGS. Equipping Vidu4D with an existing video generative model, the overall framework demonstrates high-fidelity text-to-4D generation in both appearance and geometry.

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.

This paper presents an annotated dataset of brain MRI images designed to advance the field of brain symmetry study. Magnetic resonance imaging (MRI) has gained interest in analyzing brain symmetry in neonatal infants, and challenges remain due to the vast size differences between fetal and adult brains. Classification methods for brain structural MRI use scales and visual cues to assess hemisphere symmetry, which can help diagnose neonatal patients by comparing hemispheres and anatomical regions of interest in the brain. Using the Developing Human Connectome Project dataset, this work presents a dataset comprising cerebral images extracted as slices across selected portions of interest for clinical evaluation . All the extracted images are annotated with the brain's midline. All the extracted images are annotated with the brain's midline. From the assumption that a decrease in symmetry is directly related to possible clinical pathologies, the dataset can contribute to a more precise diagnosis because it can be used to train deep learning model application in neonatal cerebral MRI anomaly detection from postnatal infant scans thanks to computer vision. Such models learn to identify and classify anomalies by identifying potential asymmetrical patterns in medical MRI images. Furthermore, this dataset can contribute to the research and development of methods using the relative symmetry of the two brain hemispheres for crucial diagnosis and treatment planning.

The rapid advancement of Large Language Models (LLMs) has led to an influx of efforts to extend their capabilities to multimodal tasks. Among them, growing attention has been focused on monolithic Multimodal Large Language Models (MLLMs) that integrate visual encoding and language decoding into a single LLM. Despite the structural simplicity and deployment-friendliness, training a monolithic MLLM with promising performance still remains challenging. In particular, the popular approaches adopt continuous pre-training to extend a pre-trained LLM to a monolithic MLLM, which suffers from catastrophic forgetting and leads to performance degeneration. In this paper, we aim to overcome this limitation from the perspective of delta tuning. Specifically, our core idea is to embed visual parameters into a pre-trained LLM, thereby incrementally learning visual knowledge from massive data via delta tuning, i.e., freezing the LLM when optimizing the visual parameters. Based on this principle, we present Mono-InternVL, a novel monolithic MLLM that seamlessly integrates a set of visual experts via a multimodal mixture-of-experts structure. Moreover, we propose an innovative pre-training strategy to maximize the visual capability of Mono-InternVL, namely Endogenous Visual Pre-training (EViP). In particular, EViP is designed as a progressive learning process for visual experts, which aims to fully exploit the visual knowledge from noisy data to high-quality data. To validate our approach, we conduct extensive experiments on 16 benchmarks. Experimental results not only validate the superior performance of Mono-InternVL compared to the state-of-the-art MLLM on 6 multimodal benchmarks, e.g., +113 points over InternVL-1.5 on OCRBench, but also confirm its better deployment efficiency, with first token latency reduced by up to 67%.

Large Language Models (LLMs) have shown to be capable of various tasks, yet their capability in interpreting and reasoning over tabular data remains an underexplored area. In this context, this study investigates from three core perspectives: the robustness of LLMs to structural perturbations in tables, the comparative analysis of textual and symbolic reasoning on tables, and the potential of boosting model performance through the aggregation of multiple reasoning pathways. We discover that structural variance of tables presenting the same content reveals a notable performance decline, particularly in symbolic reasoning tasks. This prompts the proposal of a method for table structure normalization. Moreover, textual reasoning slightly edges out symbolic reasoning, and a detailed error analysis reveals that each exhibits different strengths depending on the specific tasks. Notably, the aggregation of textual and symbolic reasoning pathways, bolstered by a mix self-consistency mechanism, resulted in achieving SOTA performance, with an accuracy of 73.6% on WIKITABLEQUESTIONS, representing a substantial advancement over previous existing table processing paradigms of LLMs.

While crosslingual transfer is crucial to contemporary language models' multilingual capabilities, how it occurs is not well understood. In this paper, we ask what happens to a monolingual language model when it begins to be trained on a second language. Specifically, we train small bilingual models for which we control the amount of data for each language and the order of language exposure. To find evidence of shared multilingual representations, we turn to structural priming, a method used to study grammatical representations in humans. We first replicate previous crosslingual structural priming results and find that after controlling for training data quantity and language exposure, there are asymmetrical effects across language pairs and directions. We argue that this asymmetry may shape hypotheses about human structural priming effects. We also find that structural priming effects are less robust for less similar language pairs, highlighting potential limitations of crosslingual transfer learning and shared representations for typologically diverse languages.

Recently, binary representation has been proposed as a novel representation that lies between continuous and discrete representations. It exhibits considerable information-preserving capability when being used to replace continuous input vectors. In this paper, we investigate the feasibility of further introducing it to the output side, aiming to allow models to output binary labels instead. To preserve the structural information on the output side along with label information, we extend the previous contrastive hashing method as structured contrastive hashing. More specifically, we upgrade CKY from label-level to bit-level, define a new similarity function with span marginal probabilities, and introduce a novel contrastive loss function with a carefully designed instance selection strategy. Our model achieves competitive performance on various structured prediction tasks, and demonstrates that binary representation can be considered a novel representation that further bridges the gap between the continuous nature of deep learning and the discrete intrinsic property of natural languages.

Language models have the ability to perform in-context learning (ICL), allowing them to flexibly adapt their behavior based on context. This contrasts with in-weights learning, where information is statically encoded in model parameters from iterated observations of the data. Despite this apparent ability to learn in-context, language models are known to struggle when faced with unseen or rarely seen tokens. Hence, we study structural in-context learning, which we define as the ability of a model to execute in-context learning on arbitrary tokens -- so called because the model must generalize on the basis of e.g. sentence structure or task structure, rather than semantic content encoded in token embeddings. An ideal model would be able to do both: flexibly deploy in-weights operations (in order to robustly accommodate ambiguous or unknown contexts using encoded semantic information) and structural in-context operations (in order to accommodate novel tokens). We study structural in-context algorithms in a simple part-of-speech setting using both practical and toy models. We find that active forgetting, a technique that was recently introduced to help models generalize to new languages, forces models to adopt structural in-context learning solutions. Finally, we introduce temporary forgetting, a straightforward extension of active forgetting that enables one to control how much a model relies on in-weights vs. in-context solutions. Importantly, temporary forgetting allows us to induce a dual process strategy where in-context and in-weights solutions coexist within a single model.

Large language model (LLM) based knowledge graph completion (KGC) aims to predict the missing triples in the KGs with LLMs and enrich the KGs to become better web infrastructure, which can benefit a lot of web-based automatic services. However, research about LLM-based KGC is limited and lacks effective utilization of LLM's inference capabilities, which ignores the important structural information in KGs and prevents LLMs from acquiring accurate factual knowledge. In this paper, we discuss how to incorporate the helpful KG structural information into the LLMs, aiming to achieve structrual-aware reasoning in the LLMs. We first transfer the existing LLM paradigms to structural-aware settings and further propose a knowledge prefix adapter (KoPA) to fulfill this stated goal. KoPA employs structural embedding pre-training to capture the structural information of entities and relations in the KG. Then KoPA informs the LLMs of the knowledge prefix adapter which projects the structural embeddings into the textual space and obtains virtual knowledge tokens as a prefix of the input prompt. We conduct comprehensive experiments on these structural-aware LLM-based KGC methods and provide an in-depth analysis comparing how the introduction of structural information would be better for LLM's knowledge reasoning ability. Our code is released at https://github.com/zjukg/KoPA.

One of the recent best attempts at Text-to-SQL is the pre-trained language model. Due to the structural property of the SQL queries, the seq2seq model takes the responsibility of parsing both the schema items (i.e., tables and columns) and the skeleton (i.e., SQL keywords). Such coupled targets increase the difficulty of parsing the correct SQL queries especially when they involve many schema items and logic operators. This paper proposes a ranking-enhanced encoding and skeleton-aware decoding framework to decouple the schema linking and the skeleton parsing. Specifically, for a seq2seq encoder-decode model, its encoder is injected by the most relevant schema items instead of the whole unordered ones, which could alleviate the schema linking effort during SQL parsing, and its decoder first generates the skeleton and then the actual SQL query, which could implicitly constrain the SQL parsing. We evaluate our proposed framework on Spider and its three robustness variants: Spider-DK, Spider-Syn, and Spider-Realistic. The experimental results show that our framework delivers promising performance and robustness. Our code is available at https://github.com/RUCKBReasoning/RESDSQL.

Molecular "fingerprints" encoding structural information are the workhorse of cheminformatics and machine learning in drug discovery applications. However, fingerprint representations necessarily emphasize particular aspects of the molecular structure while ignoring others, rather than allowing the model to make data-driven decisions. We describe molecular "graph convolutions", a machine learning architecture for learning from undirected graphs, specifically small molecules. Graph convolutions use a simple encoding of the molecular graph---atoms, bonds, distances, etc.---which allows the model to take greater advantage of information in the graph structure. Although graph convolutions do not outperform all fingerprint-based methods, they (along with other graph-based methods) represent a new paradigm in ligand-based virtual screening with exciting opportunities for future improvement.

Predicting clinical outcomes from preclinical data is essential for identifying safe and effective drug combinations. Current models rely on structural or target-based features to identify high-efficacy, low-toxicity drug combinations. However, these approaches fail to incorporate the multimodal data necessary for accurate, clinically-relevant predictions. Here, we introduce MADRIGAL, a multimodal AI model that learns from structural, pathway, cell viability, and transcriptomic data to predict drug combination effects across 953 clinical outcomes and 21842 compounds, including combinations of approved drugs and novel compounds in development. MADRIGAL uses a transformer bottleneck module to unify preclinical drug data modalities while handling missing data during training and inference--a major challenge in multimodal learning. It outperforms single-modality methods and state-of-the-art models in predicting adverse drug interactions. MADRIGAL performs virtual screening of anticancer drug combinations and supports polypharmacy management for type II diabetes and metabolic dysfunction-associated steatohepatitis (MASH). It identifies transporter-mediated drug interactions. MADRIGAL predicts resmetirom, the first and only FDA-approved drug for MASH, among therapies with the most favorable safety profile. It supports personalized cancer therapy by integrating genomic profiles from cancer patients. Using primary acute myeloid leukemia samples and patient-derived xenograft models, it predicts the efficacy of personalized drug combinations. Integrating MADRIGAL with a large language model allows users to describe clinical outcomes in natural language, improving safety assessment by identifying potential adverse interactions and toxicity risks. MADRIGAL provides a multimodal approach for designing combination therapies with improved predictive accuracy and clinical relevance.

Tabular data contains rich structural semantics and plays a crucial role in organizing and manipulating information. To better capture these structural semantics, this paper introduces the HybrId-modal Preference oPtimizatiOn (HIPPO) model, which represents tables using both text and image, and optimizes MLLMs to effectively learn more comprehensive table information from these multiple modalities. Specifically, HIPPO samples model responses from hybrid-modal table representations and designs a modality-consistent sampling strategy to enhance response diversity and mitigate modality bias during DPO training. Experimental results on table question answering and table fact verification tasks demonstrate the effectiveness of HIPPO, achieving a 4% improvement over various table reasoning models. Further analysis reveals that HIPPO not only enhances reasoning abilities based on unimodal table representations but also facilitates the extraction of crucial and distinct semantics from different modal representations. All data and codes are available at https://github.com/NEUIR/HIPPO.

Diffusion priors have been used for blind face restoration (BFR) by fine-tuning diffusion models (DMs) on restoration datasets to recover low-quality images. However, the naive application of DMs presents several key limitations. (i) The diffusion prior has inferior semantic consistency (e.g., ID, structure and color.), increasing the difficulty of optimizing the BFR model; (ii) reliance on hundreds of denoising iterations, preventing the effective cooperation with perceptual losses, which is crucial for faithful restoration. Observing that the latent consistency model (LCM) learns consistency noise-to-data mappings on the ODE-trajectory and therefore shows more semantic consistency in the subject identity, structural information and color preservation, we propose InterLCM to leverage the LCM for its superior semantic consistency and efficiency to counter the above issues. Treating low-quality images as the intermediate state of LCM, InterLCM achieves a balance between fidelity and quality by starting from earlier LCM steps. LCM also allows the integration of perceptual loss during training, leading to improved restoration quality, particularly in real-world scenarios. To mitigate structural and semantic uncertainties, InterLCM incorporates a Visual Module to extract visual features and a Spatial Encoder to capture spatial details, enhancing the fidelity of restored images. Extensive experiments demonstrate that InterLCM outperforms existing approaches in both synthetic and real-world datasets while also achieving faster inference speed.

We introduce a novel neural network, SkyReconNet, which combines the expanded receptive fields of dilated convolutional layers along with standard convolutions, to capture both the global and local features for reconstructing the missing information in an image. We implement our network to inpaint the masked regions in a full-sky Cosmic Microwave Background (CMB) map. Inpainting CMB maps is a particularly formidable challenge when dealing with extensive and irregular masks, such as galactic masks which can obscure substantial fractions of the sky. The hybrid design of SkyReconNet leverages the strengths of standard and dilated convolutions to accurately predict CMB fluctuations in the masked regions, by effectively utilizing the information from surrounding unmasked areas. During training, the network optimizes its weights by minimizing a composite loss function that combines the Structural Similarity Index Measure (SSIM) and mean squared error (MSE). SSIM preserves the essential structural features of the CMB, ensuring an accurate and coherent reconstruction of the missing CMB fluctuations, while MSE minimizes the pixel-wise deviations, enhancing the overall accuracy of the predictions. The predicted CMB maps and their corresponding angular power spectra align closely with the targets, achieving the performance limited only by the fundamental uncertainty of cosmic variance. The network's generic architecture enables application to other physics-based challenges involving data with missing or defective pixels, systematic artefacts etc. Our results demonstrate its effectiveness in addressing the challenges posed by large irregular masks, offering a significant inpainting tool not only for CMB analyses but also for image-based experiments across disciplines where such data imperfections are prevalent.

Humanoids have the potential to be the ideal embodiment in environments designed for humans. Thanks to the structural similarity to the human body, they benefit from rich sources of demonstration data, e.g., collected via teleoperation, motion capture, or even using videos of humans performing tasks. However, distilling a policy from demonstrations is still a challenging problem. While Diffusion Policies (DPs) have shown impressive results in robotic manipulation, their applicability to locomotion and humanoid control remains underexplored. In this paper, we investigate how dataset diversity and size affect the performance of DPs for humanoid whole-body control. In a simulated IsaacGym environment, we generate synthetic demonstrations by training Adversarial Motion Prior (AMP) agents under various Domain Randomization (DR) conditions, and we compare DPs fitted to datasets of different size and diversity. Our findings show that, although DPs can achieve stable walking behavior, successful training of locomotion policies requires significantly larger and more diverse datasets compared to manipulation tasks, even in simple scenarios.

Large language models (LLMs) exhibit remarkable reasoning abilities, allowing them to generalize across a wide range of downstream tasks, such as commonsense reasoning or instruction following. However, as LLMs scale, inference costs become increasingly prohibitive, accumulating significantly over their life cycle. This poses the question: Can we compress pre-trained LLMs to meet diverse size and latency requirements? We leverage Neural Architecture Search (NAS) to compress LLMs by pruning structural components, such as attention heads, neurons, and layers, aiming to achieve a Pareto-optimal balance between performance and efficiency. While NAS already achieved promising results on small language models in previous work, in this paper we propose various extensions that allow us to scale to LLMs. Compared to structural pruning baselines, we show that NAS improves performance up to 3.4% on MMLU with an on-device latency speedup.

Generating simulations to train intelligent agents in game-playing and robotics from natural language input, from user input or task documentation, remains an open-ended challenge. Existing approaches focus on parts of this challenge, such as generating reward functions or task hyperparameters. Unlike previous work, we introduce FACTORSIM that generates full simulations in code from language input that can be used to train agents. Exploiting the structural modularity specific to coded simulations, we propose to use a factored partially observable Markov decision process representation that allows us to reduce context dependence during each step of the generation. For evaluation, we introduce a generative simulation benchmark that assesses the generated simulation code's accuracy and effectiveness in facilitating zero-shot transfers in reinforcement learning settings. We show that FACTORSIM outperforms existing methods in generating simulations regarding prompt alignment (e.g., accuracy), zero-shot transfer abilities, and human evaluation. We also demonstrate its effectiveness in generating robotic tasks.

Multimodal generative models have shown impressive advances with the help of powerful diffusion models. Despite the progress, generating sound solely from text poses challenges in ensuring comprehensive scene depiction and temporal alignment. Meanwhile, video-to-sound generation limits the flexibility to prioritize sound synthesis for specific objects within the scene. To tackle these challenges, we propose a novel video-and-text-to-sound generation method, called ReWaS, where video serves as a conditional control for a text-to-audio generation model. Our method estimates the structural information of audio (namely, energy) from the video while receiving key content cues from a user prompt. We employ a well-performing text-to-sound model to consolidate the video control, which is much more efficient for training multimodal diffusion models with massive triplet-paired (audio-video-text) data. In addition, by separating the generative components of audio, it becomes a more flexible system that allows users to freely adjust the energy, surrounding environment, and primary sound source according to their preferences. Experimental results demonstrate that our method shows superiority in terms of quality, controllability, and training efficiency. Our demo is available at https://naver-ai.github.io/rewas

In recent years, there has been a growing emphasis on compressing large pre-trained transformer models for resource-constrained devices. However, traditional pruning methods often leave the embedding layer untouched, leading to model over-parameterization. Additionally, they require extensive compression time with large datasets to maintain performance in pruned models. To address these challenges, we propose VTrans, an iterative pruning framework guided by the Variational Information Bottleneck (VIB) principle. Our method compresses all structural components, including embeddings, attention heads, and layers using VIB-trained masks. This approach retains only essential weights in each layer, ensuring compliance with specified model size or computational constraints. Notably, our method achieves upto 70% more compression than prior state-of-the-art approaches, both task-agnostic and task-specific. We further propose faster variants of our method: Fast-VTrans utilizing only 3% of the data and Faster-VTrans, a time efficient alternative that involves exclusive finetuning of VIB masks, accelerating compression by upto 25 times with minimal performance loss compared to previous methods. Extensive experiments on BERT, ROBERTa, and GPT-2 models substantiate the efficacy of our method. Moreover, our method demonstrates scalability in compressing large models such as LLaMA-2-7B, achieving superior performance compared to previous pruning methods. Additionally, we use attention-based probing to qualitatively assess model redundancy and interpret the efficiency of our approach. Notably, our method considers heads with high attention to special and current tokens in un-pruned model as foremost candidates for pruning while retained heads are observed to attend more to task-critical keywords.

Recent studies reveal that integrating new modalities into Large Language Models (LLMs), such as Vision-Language Models (VLMs), creates a new attack surface that bypasses existing safety training techniques like Supervised Fine-tuning (SFT) and Reinforcement Learning with Human Feedback (RLHF). While further SFT and RLHF-based safety training can be conducted in multi-modal settings, collecting multi-modal training datasets poses a significant challenge. Inspired by the structural design of recent multi-modal models, where, regardless of the combination of input modalities, all inputs are ultimately fused into the language space, we aim to explore whether unlearning solely in the textual domain can be effective for cross-modality safety alignment. Our evaluation across six datasets empirically demonstrates the transferability -- textual unlearning in VLMs significantly reduces the Attack Success Rate (ASR) to less than 8\% and in some cases, even as low as nearly 2\% for both text-based and vision-text-based attacks, alongside preserving the utility. Moreover, our experiments show that unlearning with a multi-modal dataset offers no potential benefits but incurs significantly increased computational demands, possibly up to 6 times higher.

Adapting pre-trained foundation models for various downstream tasks has been prevalent in artificial intelligence. Due to the vast number of tasks and high costs, adjusting all parameters becomes unfeasible. To mitigate this, several fine-tuning techniques have been developed to update the pre-trained model weights in a more resource-efficient manner, such as through low-rank adjustments. Yet, almost all of these methods focus on linear weights, neglecting the intricacies of parameter spaces in higher dimensions like 4D. Alternatively, some methods can be adapted for high-dimensional parameter space by compressing changes in the original space into two dimensions and then employing low-rank matrix decomposition. However, these approaches destructs the structural integrity of the involved high-dimensional spaces. To tackle the diversity of dimensional spaces across different foundation models and provide a more precise representation of the changes within these spaces, this paper introduces a generalized parameter-efficient fine-tuning framework, FLoRA, designed for various dimensional parameter space. Specifically, utilizing Tucker decomposition, FLoRA asserts that changes in each dimensional parameter space are based on a low-rank core space which maintains the consistent topological structure with the original space. It then models the changes through this core space alongside corresponding weights to reconstruct alterations in the original space. FLoRA effectively preserves the structural integrity of the change of original N-dimensional parameter space, meanwhile decomposes it via low-rank tensor decomposition. Extensive experiments on computer vision, natural language processing and multi-modal tasks validate FLoRA's effectiveness. Codes are available at https://github.com/SJTU-DeepVisionLab/FLoRA.

The rapid advancement in Large Language Models (LLMs) has markedly enhanced the capabilities of language understanding and generation. However, the substantial model size poses hardware challenges, affecting both memory size for serving and inference latency for token generation. To address those challenges, we propose Dependency-aware Semi-structured Sparsity (DaSS), a novel method for the recent prevalent SwiGLU-based LLMs pruning. Our approach incorporates structural dependency into the weight magnitude-based unstructured pruning. We introduce an MLP-specific pruning metric that evaluates the importance of each weight by jointly considering its magnitude and its corresponding MLP intermediate activation norms. DaSS facilitates a balance between the adaptability offered by unstructured pruning and the structural consistency inherent in dependency-based structured pruning. Empirical evaluations on Mistral and LLaMA2 model families demonstrate that DaSS not only outperforms both SparseGPT and Wanda in achieving hardware-friendly N:M sparsity patterns but also maintains the computational efficiency of Wanda.

Learned sparse retrieval systems aim to combine the effectiveness of contextualized language models with the scalability of conventional data structures such as inverted indexes. Nevertheless, the indexes generated by these systems exhibit significant deviations from the ones that use traditional retrieval models, leading to a discrepancy in the performance of existing query optimizations that were specifically developed for traditional structures. These disparities arise from structural variations in query and document statistics, including sub-word tokenization, leading to longer queries, smaller vocabularies, and different score distributions within posting lists. This paper introduces Block-Max Pruning (BMP), an innovative dynamic pruning strategy tailored for indexes arising in learned sparse retrieval environments. BMP employs a block filtering mechanism to divide the document space into small, consecutive document ranges, which are then aggregated and sorted on the fly, and fully processed only as necessary, guided by a defined safe early termination criterion or based on approximate retrieval requirements. Through rigorous experimentation, we show that BMP substantially outperforms existing dynamic pruning strategies, offering unparalleled efficiency in safe retrieval contexts and improved tradeoffs between precision and efficiency in approximate retrieval tasks.

Leveraging generative Artificial Intelligence (AI), we have transformed a dataset comprising 1,000 scientific papers into an ontological knowledge graph. Through an in-depth structural analysis, we have calculated node degrees, identified communities and connectivities, and evaluated clustering coefficients and betweenness centrality of pivotal nodes, uncovering fascinating knowledge architectures. The graph has an inherently scale-free nature, is highly connected, and can be used for graph reasoning by taking advantage of transitive and isomorphic properties that reveal unprecedented interdisciplinary relationships that can be used to answer queries, identify gaps in knowledge, propose never-before-seen material designs, and predict material behaviors. We compute deep node embeddings for combinatorial node similarity ranking for use in a path sampling strategy links dissimilar concepts that have previously not been related. One comparison revealed structural parallels between biological materials and Beethoven's 9th Symphony, highlighting shared patterns of complexity through isomorphic mapping. In another example, the algorithm proposed a hierarchical mycelium-based composite based on integrating path sampling with principles extracted from Kandinsky's 'Composition VII' painting. The resulting material integrates an innovative set of concepts that include a balance of chaos/order, adjustable porosity, mechanical strength, and complex patterned chemical functionalization. We uncover other isomorphisms across science, technology and art, revealing a nuanced ontology of immanence that reveal a context-dependent heterarchical interplay of constituents. Graph-based generative AI achieves a far higher degree of novelty, explorative capacity, and technical detail, than conventional approaches and establishes a widely useful framework for innovation by revealing hidden connections.

This study introduces a novel approach for generating high-quality, language-specific chat corpora using a self-chat mechanism. We combine a generator LLM for creating new samples and an embedder LLM to ensure diversity. A new Masked Language Modelling (MLM) model-based quality assessment metric is proposed for evaluating and filtering the corpora. Utilizing the llama2-70b as the generator and a multilingual sentence transformer as embedder, we generate an Italian chat corpus and refine the Fauno corpus, which is based on translated English ChatGPT self-chat data. The refinement uses structural assertions and Natural Language Processing techniques. Both corpora undergo a comprehensive quality evaluation using the proposed MLM model-based quality metric. The Italian LLM fine-tuned with these corpora demonstrates significantly enhanced language comprehension and question-answering skills. The resultant model, cerbero-7b, establishes a new state-of-the-art for Italian LLMs. This approach marks a substantial advancement in the development of language-specific LLMs, with a special emphasis on augmenting corpora for underrepresented languages like Italian.

We describe a Magnetic Resonance Imaging (MRI) dataset from individuals from the African nation of Nigeria. The dataset contains pseudonymized structural MRI (T1w, T2w, FLAIR) data of clinical quality. The dataset contains data from 36 images from healthy control subjects, 32 images from individuals diagnosed with age-related dementia and 20 from individuals with Parkinson's disease. There is currently a paucity of data from the African continent. Given the potential for Africa to contribute to the global neuroscience community, this first MRI dataset represents both an opportunity and benchmark for future studies to share data from the African continent.

Knee Osteoarthritis (KOA) is a highly prevalent chronic musculoskeletal condition with no currently available treatment. The manifestation of KOA is heterogeneous and prediction of its progression is challenging. Current literature suggests that the use of multi-modal data and advanced modeling methods, such as the ones based on Deep Learning, has promise in tackling this challenge. To date, however, the evidence on the efficacy of this approach is limited. In this study, we leveraged recent advances in Deep Learning and, using a Transformer approach, developed a unified framework for the multi-modal fusion of knee imaging data. Subsequently, we analyzed its performance across a range of scenarios by investigating multiple progression horizons -- from short-term to long-term. We report our findings using a large cohort (n=2421-3967) derived from the Osteoarthritis Initiative dataset. We show that structural knee MRI allows identifying radiographic KOA progressors on par with multi-modal fusion approaches, achieving an area under the ROC curve (ROC AUC) of 0.70-0.76 and Average Precision (AP) of 0.15-0.54 in 2-8 year horizons. Progression within 1 year was better predicted with a multi-modal method using X-ray, structural, and compositional MR images -- ROC AUC of 0.76(0.04), AP of 0.13(0.04) -- or via clinical data. Our follow-up analysis generally shows that prediction from the imaging data is more accurate for post-traumatic subjects, and we further investigate which subject subgroups may benefit the most. The present study provides novel insights into multi-modal imaging of KOA and brings a unified data-driven framework for studying its progression in an end-to-end manner, providing new tools for the design of more efficient clinical trials. The source code of our framework and the pre-trained models are made publicly available.

Over the past decade, machine learning has revolutionized computers' ability to analyze text through flexible computational models. Due to their structural similarity to written language, transformer-based architectures have also shown promise as tools to make sense of a range of multi-variate sequences from protein-structures, music, electronic health records to weather-forecasts. We can also represent human lives in a way that shares this structural similarity to language. From one perspective, lives are simply sequences of events: People are born, visit the pediatrician, start school, move to a new location, get married, and so on. Here, we exploit this similarity to adapt innovations from natural language processing to examine the evolution and predictability of human lives based on detailed event sequences. We do this by drawing on arguably the most comprehensive registry data in existence, available for an entire nation of more than six million individuals across decades. Our data include information about life-events related to health, education, occupation, income, address, and working hours, recorded with day-to-day resolution. We create embeddings of life-events in a single vector space showing that this embedding space is robust and highly structured. Our models allow us to predict diverse outcomes ranging from early mortality to personality nuances, outperforming state-of-the-art models by a wide margin. Using methods for interpreting deep learning models, we probe the algorithm to understand the factors that enable our predictions. Our framework allows researchers to identify new potential mechanisms that impact life outcomes and associated possibilities for personalized interventions.

This paper presents a novel approach in autonomous robot control, named LLM-BRAIn, that makes possible robot behavior generation, based on operator's commands. LLM-BRAIn is a transformer-based Large Language Model (LLM) fine-tuned from Stanford Alpaca 7B model to generate robot behavior tree (BT) from the text description. We train the LLM-BRAIn on 8,5k instruction-following demonstrations, generated in the style of self-instruct using text-davinchi-003. The developed model accurately builds complex robot behavior while remaining small enough to be run on the robot's onboard microcomputer. The model gives structural and logical correct BTs and can successfully manage instructions that were not presented in training set. The experiment did not reveal any significant subjective differences between BTs generated by LLM-BRAIn and those created by humans (on average, participants were able to correctly distinguish between LLM-BRAIn generated BTs and human-created BTs in only 4.53 out of 10 cases, indicating that their performance was close to random chance). The proposed approach potentially can be applied to mobile robotics, drone operation, robot manipulator systems and Industry 4.0.

Dropout is a widely utilized regularization technique in the training of neural networks, nevertheless, its underlying mechanism and its impact on achieving good generalization abilities remain poorly understood. In this work, we derive the stochastic modified equations for analyzing the dynamics of dropout, where its discrete iteration process is approximated by a class of stochastic differential equations. In order to investigate the underlying mechanism by which dropout facilitates the identification of flatter minima, we study the noise structure of the derived stochastic modified equation for dropout. By drawing upon the structural resemblance between the Hessian and covariance through several intuitive approximations, we empirically demonstrate the universal presence of the inverse variance-flatness relation and the Hessian-variance relation, throughout the training process of dropout. These theoretical and empirical findings make a substantial contribution to our understanding of the inherent tendency of dropout to locate flatter minima.

Line segments are powerful features complementary to points. They offer structural cues, robust to drastic viewpoint and illumination changes, and can be present even in texture-less areas. However, describing and matching them is more challenging compared to points due to partial occlusions, lack of texture, or repetitiveness. This paper introduces a new matching paradigm, where points, lines, and their descriptors are unified into a single wireframe structure. We propose GlueStick, a deep matching Graph Neural Network (GNN) that takes two wireframes from different images and leverages the connectivity information between nodes to better glue them together. In addition to the increased efficiency brought by the joint matching, we also demonstrate a large boost of performance when leveraging the complementary nature of these two features in a single architecture. We show that our matching strategy outperforms the state-of-the-art approaches independently matching line segments and points for a wide variety of datasets and tasks. The code is available at https://github.com/cvg/GlueStick.

The task of 3D semantic scene graph (3DSSG) prediction in the point cloud is challenging since (1) the 3D point cloud only captures geometric structures with limited semantics compared to 2D images, and (2) long-tailed relation distribution inherently hinders the learning of unbiased prediction. Since 2D images provide rich semantics and scene graphs are in nature coped with languages, in this study, we propose Visual-Linguistic Semantics Assisted Training (VL-SAT) scheme that can significantly empower 3DSSG prediction models with discrimination about long-tailed and ambiguous semantic relations. The key idea is to train a powerful multi-modal oracle model to assist the 3D model. This oracle learns reliable structural representations based on semantics from vision, language, and 3D geometry, and its benefits can be heterogeneously passed to the 3D model during the training stage. By effectively utilizing visual-linguistic semantics in training, our VL-SAT can significantly boost common 3DSSG prediction models, such as SGFN and SGGpoint, only with 3D inputs in the inference stage, especially when dealing with tail relation triplets. Comprehensive evaluations and ablation studies on the 3DSSG dataset have validated the effectiveness of the proposed scheme. Code is available at https://github.com/wz7in/CVPR2023-VLSAT.

Place recognition is a key module for long-term SLAM systems. Current LiDAR-based place recognition methods usually use representations of point clouds such as unordered points or range images. These methods achieve high recall rates of retrieval, but their performance may degrade in the case of view variation or scene changes. In this work, we explore the potential of a different representation in place recognition, i.e. bird's eye view (BEV) images. We observe that the structural contents of BEV images are less influenced by rotations and translations of point clouds. We validate that, without any delicate design, a simple VGGNet trained on BEV images achieves comparable performance with the state-of-the-art place recognition methods in scenes of slight viewpoint changes. For more robust place recognition, we design a rotation-invariant network called BEVPlace. We use group convolution to extract rotation-equivariant local features from the images and NetVLAD for global feature aggregation. In addition, we observe that the distance between BEV features is correlated with the geometry distance of point clouds. Based on the observation, we develop a method to estimate the position of the query cloud, extending the usage of place recognition. The experiments conducted on large-scale public datasets show that our method 1) achieves state-of-the-art performance in terms of recall rates, 2) is robust to view changes, 3) shows strong generalization ability, and 4) can estimate the positions of query point clouds. Source codes are publicly available at https://github.com/zjuluolun/BEVPlace.

Recently, contrastive learning has found impressive success in advancing the state of the art in solving various machine learning tasks. However, the existing generalization analysis is very limited or even not meaningful. In particular, the existing generalization error bounds depend linearly on the number k of negative examples while it was widely shown in practice that choosing a large k is necessary to guarantee good generalization of contrastive learning in downstream tasks. In this paper, we establish novel generalization bounds for contrastive learning which do not depend on k, up to logarithmic terms. Our analysis uses structural results on empirical covering numbers and Rademacher complexities to exploit the Lipschitz continuity of loss functions. For self-bounding Lipschitz loss functions, we further improve our results by developing optimistic bounds which imply fast rates in a low noise condition. We apply our results to learning with both linear representation and nonlinear representation by deep neural networks, for both of which we derive Rademacher complexity bounds to get improved generalization bounds.

This paper demonstrates that language models are strong structure-based protein designers. We present LM-Design, a generic approach to reprogramming sequence-based protein language models (pLMs), that have learned massive sequential evolutionary knowledge from the universe of natural protein sequences, to acquire an immediate capability to design preferable protein sequences for given folds. We conduct a structural surgery on pLMs, where a lightweight structural adapter is implanted into pLMs and endows it with structural awareness. During inference, iterative refinement is performed to effectively optimize the generated protein sequences. Experiments show that LM-Design improves the state-of-the-art results by a large margin, leading to up to 4% to 12% accuracy gains in sequence recovery (e.g., 55.65%/56.63% on CATH 4.2/4.3 single-chain benchmarks, and >60% when designing protein complexes). We provide extensive and in-depth analyses, which verify that LM-Design can (1) indeed leverage both structural and sequential knowledge to accurately handle structurally non-deterministic regions, (2) benefit from scaling data and model size, and (3) generalize to other proteins (e.g., antibodies and de novo proteins)

Heterogeneity and comorbidity are two interwoven challenges associated with various healthcare problems that greatly hampered research on developing effective treatment and understanding of the underlying neurobiological mechanism. Very few studies have been conducted to investigate heterogeneous causal effects (HCEs) in graphical contexts due to the lack of statistical methods. To characterize this heterogeneity, we first conceptualize heterogeneous causal graphs (HCGs) by generalizing the causal graphical model with confounder-based interactions and multiple mediators. Such confounders with an interaction with the treatment are known as moderators. This allows us to flexibly produce HCGs given different moderators and explicitly characterize HCEs from the treatment or potential mediators on the outcome. We establish the theoretical forms of HCEs and derive their properties at the individual level in both linear and nonlinear models. An interactive structural learning is developed to estimate the complex HCGs and HCEs with confidence intervals provided. Our method is empirically justified by extensive simulations and its practical usefulness is illustrated by exploring causality among psychiatric disorders for trauma survivors.

Given a small set of labeled data and a large set of unlabeled data, semi-supervised learning (SSL) attempts to leverage the location of the unlabeled datapoints in order to create a better classifier than could be obtained from supervised methods applied to the labeled training set alone. Effective SSL imposes structural assumptions on the data, e.g. that neighbors are more likely to share a classification or that the decision boundary lies in an area of low density. For complex and high-dimensional data, neural networks can learn feature embeddings to which traditional SSL methods can then be applied in what we call hybrid methods. Previously-developed hybrid methods iterate between refining a latent representation and performing graph-based SSL on this representation. In this paper, we introduce a novel hybrid method that instead applies low-density separation to the embedded features. We describe it in detail and discuss why low-density separation may be better suited for SSL on neural network-based embeddings than graph-based algorithms. We validate our method using in-house customer survey data and compare it to other state-of-the-art learning methods. Our approach effectively classifies thousands of unlabeled users from a relatively small number of hand-classified examples.

Retrieving relevant documents from a corpus is typically based on the semantic similarity between the document content and query text. The inclusion of structural relationship between documents can benefit the retrieval mechanism by addressing semantic gaps. However, incorporating these relationships requires tractable mechanisms that balance structure with semantics and take advantage of the prevalent pre-train/fine-tune paradigm. We propose here a holistic approach to learning document representations by integrating intra-document content with inter-document relations. Our deep metric learning solution analyzes the complex neighborhood structure in the relationship network to efficiently sample similar/dissimilar document pairs and defines a novel quintuplet loss function that simultaneously encourages document pairs that are semantically relevant to be closer and structurally unrelated to be far apart in the representation space. Furthermore, the separation margins between the documents are varied flexibly to encode the heterogeneity in relationship strengths. The model is fully fine-tunable and natively supports query projection during inference. We demonstrate that it outperforms competing methods on multiple datasets for document retrieval tasks.

Transformers yield state-of-the-art results across many tasks. However, their heuristically designed architecture impose huge computational costs during inference. This work aims on challenging the common design philosophy of the Vision Transformer (ViT) model with uniform dimension across all the stacked blocks in a model stage, where we redistribute the parameters both across transformer blocks and between different structures within the block via the first systematic attempt on global structural pruning. Dealing with diverse ViT structural components, we derive a novel Hessian-based structural pruning criteria comparable across all layers and structures, with latency-aware regularization for direct latency reduction. Performing iterative pruning on the DeiT-Base model leads to a new architecture family called NViT (Novel ViT), with a novel parameter redistribution that utilizes parameters more efficiently. On ImageNet-1K, NViT-Base achieves a 2.6x FLOPs reduction, 5.1x parameter reduction, and 1.9x run-time speedup over the DeiT-Base model in a near lossless manner. Smaller NViT variants achieve more than 1% accuracy gain at the same throughput of the DeiT Small/Tiny variants, as well as a lossless 3.3x parameter reduction over the SWIN-Small model. These results outperform prior art by a large margin. Further analysis is provided on the parameter redistribution insight of NViT, where we show the high prunability of ViT models, distinct sensitivity within ViT block, and unique parameter distribution trend across stacked ViT blocks. Our insights provide viability for a simple yet effective parameter redistribution rule towards more efficient ViTs for off-the-shelf performance boost.

In this paper we propose a new approach to detect clusters in undirected graphs with attributed vertices. We incorporate structural and attribute similarities between the vertices in an augmented graph by creating additional vertices and edges as proposed in [1, 2]. The augmented graph is then embedded in a Euclidean space associated to its Laplacian and we cluster vertices via a modified K-means algorithm, using a new vector-valued distance in the embedding space. Main novelty of our method, which can be classified as an early fusion method, i.e., a method in which additional information on vertices are fused to the structure information before applying clustering, is the interpretation of attributes as new realizations of graph vertices, which can be dealt with as coordinate vectors in a related Euclidean space. This allows us to extend a scalable generalized spectral clustering procedure which substitutes graph Laplacian eigenvectors with some vectors, named algebraically smooth vectors, obtained by a linear-time complexity Algebraic MultiGrid (AMG) method. We discuss the performance of our proposed clustering method by comparison with recent literature approaches and public available results. Extensive experiments on different types of synthetic datasets and real-world attributed graphs show that our new algorithm, embedding attributes information in the clustering, outperforms structure-only-based methods, when the attributed network has an ambiguous structure. Furthermore, our new method largely outperforms the method which originally proposed the graph augmentation, showing that our embedding strategy and vector-valued distance are very effective in taking advantages from the augmented-graph representation.

Node features and structural information of a graph are both crucial for semi-supervised node classification problems. A variety of graph neural network (GNN) based approaches have been proposed to tackle these problems, which typically determine output labels through feature aggregation. This can be problematic, as it implies conditional independence of output nodes given hidden representations, despite their direct connections in the graph. To learn the direct influence among output nodes in a graph, we propose the Explicit Pairwise Factorized Graph Neural Network (EPFGNN), which models the whole graph as a partially observed Markov Random Field. It contains explicit pairwise factors to model output-output relations and uses a GNN backbone to model input-output relations. To balance model complexity and expressivity, the pairwise factors have a shared component and a separate scaling coefficient for each edge. We apply the EM algorithm to train our model, and utilize a star-shaped piecewise likelihood for the tractable surrogate objective. We conduct experiments on various datasets, which shows that our model can effectively improve the performance for semi-supervised node classification on graphs.

We propose RepMLP, a multi-layer-perceptron-style neural network building block for image recognition, which is composed of a series of fully-connected (FC) layers. Compared to convolutional layers, FC layers are more efficient, better at modeling the long-range dependencies and positional patterns, but worse at capturing the local structures, hence usually less favored for image recognition. We propose a structural re-parameterization technique that adds local prior into an FC to make it powerful for image recognition. Specifically, we construct convolutional layers inside a RepMLP during training and merge them into the FC for inference. On CIFAR, a simple pure-MLP model shows performance very close to CNN. By inserting RepMLP in traditional CNN, we improve ResNets by 1.8% accuracy on ImageNet, 2.9% for face recognition, and 2.3% mIoU on Cityscapes with lower FLOPs. Our intriguing findings highlight that combining the global representational capacity and positional perception of FC with the local prior of convolution can improve the performance of neural network with faster speed on both the tasks with translation invariance (e.g., semantic segmentation) and those with aligned images and positional patterns (e.g., face recognition). The code and models are available at https://github.com/DingXiaoH/RepMLP.

Recently, it has been found that monolingual English language models can be used as knowledge bases. Instead of structural knowledge base queries, masked sentences such as "Paris is the capital of [MASK]" are used as probes. We translate the established benchmarks TREx and GoogleRE into 53 languages. Working with mBERT, we investigate three questions. (i) Can mBERT be used as a multilingual knowledge base? Most prior work only considers English. Extending research to multiple languages is important for diversity and accessibility. (ii) Is mBERT's performance as knowledge base language-independent or does it vary from language to language? (iii) A multilingual model is trained on more text, e.g., mBERT is trained on 104 Wikipedias. Can mBERT leverage this for better performance? We find that using mBERT as a knowledge base yields varying performance across languages and pooling predictions across languages improves performance. Conversely, mBERT exhibits a language bias; e.g., when queried in Italian, it tends to predict Italy as the country of origin.

Program source code contains complex structure information, which can be represented in structured data forms like trees or graphs. To acquire the structural information in source code, most existing researches use abstract syntax trees (AST). A group of works add additional edges to ASTs to convert source code into graphs and use graph neural networks to learn representations for program graphs. Although these works provide additional control or data flow information to ASTs for downstream tasks, they neglect an important aspect of structure information in AST itself: the different types of nodes and edges. In ASTs, different nodes contain different kinds of information like variables or control flow, and the relation between a node and all its children can also be different. To address the information of node and edge types, we bring the idea of heterogeneous graphs to learning on source code and present a new formula of building heterogeneous program graphs from ASTs with additional type information for nodes and edges. We use the ASDL grammar of programming language to define the node and edge types of program graphs. Then we use heterogeneous graph neural networks to learn on these graphs. We evaluate our approach on two tasks: code comment generation and method naming. Both tasks require reasoning on the semantics of complete code snippets. Experiment results show that our approach outperforms baseline models, including homogeneous graph-based models, showing that leveraging the type information of nodes and edges in program graphs can help in learning program semantics.

The use of the structural similarity index (SSIM) is widespread. For almost two decades, it has played a major role in image quality assessment in many different research disciplines. Clearly, its merits are indisputable in the research community. However, little deep scrutiny of this index has been performed. Contrary to popular belief, there are some interesting properties of SSIM that merit such scrutiny. In this paper, we analyze the mathematical factors of SSIM and show that it can generate results, in both synthetic and realistic use cases, that are unexpected, sometimes undefined, and nonintuitive. As a consequence, assessing image quality based on SSIM can lead to incorrect conclusions and using SSIM as a loss function for deep learning can guide neural network training in the wrong direction.

We address whether neural models for Natural Language Inference (NLI) can learn the compositional interactions between lexical entailment and negation, using four methods: the behavioral evaluation methods of (1) challenge test sets and (2) systematic generalization tasks, and the structural evaluation methods of (3) probes and (4) interventions. To facilitate this holistic evaluation, we present Monotonicity NLI (MoNLI), a new naturalistic dataset focused on lexical entailment and negation. In our behavioral evaluations, we find that models trained on general-purpose NLI datasets fail systematically on MoNLI examples containing negation, but that MoNLI fine-tuning addresses this failure. In our structural evaluations, we look for evidence that our top-performing BERT-based model has learned to implement the monotonicity algorithm behind MoNLI. Probes yield evidence consistent with this conclusion, and our intervention experiments bolster this, showing that the causal dynamics of the model mirror the causal dynamics of this algorithm on subsets of MoNLI. This suggests that the BERT model at least partially embeds a theory of lexical entailment and negation at an algorithmic level.

Human knowledge provides a formal understanding of the world. Knowledge graphs that represent structural relations between entities have become an increasingly popular research direction towards cognition and human-level intelligence. In this survey, we provide a comprehensive review of knowledge graph covering overall research topics about 1) knowledge graph representation learning, 2) knowledge acquisition and completion, 3) temporal knowledge graph, and 4) knowledge-aware applications, and summarize recent breakthroughs and perspective directions to facilitate future research. We propose a full-view categorization and new taxonomies on these topics. Knowledge graph embedding is organized from four aspects of representation space, scoring function, encoding models, and auxiliary information. For knowledge acquisition, especially knowledge graph completion, embedding methods, path inference, and logical rule reasoning, are reviewed. We further explore several emerging topics, including meta relational learning, commonsense reasoning, and temporal knowledge graphs. To facilitate future research on knowledge graphs, we also provide a curated collection of datasets and open-source libraries on different tasks. In the end, we have a thorough outlook on several promising research directions.

Recently, the pre-trained language model, BERT (and its robustly optimized version RoBERTa), has attracted a lot of attention in natural language understanding (NLU), and achieved state-of-the-art accuracy in various NLU tasks, such as sentiment classification, natural language inference, semantic textual similarity and question answering. Inspired by the linearization exploration work of Elman [8], we extend BERT to a new model, StructBERT, by incorporating language structures into pre-training. Specifically, we pre-train StructBERT with two auxiliary tasks to make the most of the sequential order of words and sentences, which leverage language structures at the word and sentence levels, respectively. As a result, the new model is adapted to different levels of language understanding required by downstream tasks. The StructBERT with structural pre-training gives surprisingly good empirical results on a variety of downstream tasks, including pushing the state-of-the-art on the GLUE benchmark to 89.0 (outperforming all published models), the F1 score on SQuAD v1.1 question answering to 93.0, the accuracy on SNLI to 91.7.

In this paper, we are interested in generating an cartoon face of a person by using unpaired training data between real faces and cartoon ones. A major challenge of this task is that the structures of real and cartoon faces are in two different domains, whose appearance differs greatly from each other. Without explicit correspondence, it is difficult to generate a high quality cartoon face that captures the essential facial features of a person. In order to solve this problem, we propose landmark assisted CycleGAN, which utilizes face landmarks to define landmark consistency loss and to guide the training of local discriminator in CycleGAN. To enforce structural consistency in landmarks, we utilize the conditional generator and discriminator. Our approach is capable to generate high-quality cartoon faces even indistinguishable from those drawn by artists and largely improves state-of-the-art.

A supervised learning algorithm searches over a set of functions A to B parametrised by a space P to find the best approximation to some ideal function fcolon A to B. It does this by taking examples (a,f(a)) in Atimes B, and updating the parameter according to some rule. We define a category where these update rules may be composed, and show that gradient descent---with respect to a fixed step size and an error function satisfying a certain property---defines a monoidal functor from a category of parametrised functions to this category of update rules. This provides a structural perspective on backpropagation, as well as a broad generalisation of neural networks.

Analysis and prediction of stock market time series data has attracted considerable interest from the research community over the last decade. Rapid development and evolution of sophisticated algorithms for statistical analysis of time series data, and availability of high-performance hardware has made it possible to process and analyze high volume stock market time series data effectively, in real-time. Among many other important characteristics and behavior of such data, forecasting is an area which has witnessed considerable focus. In this work, we have used 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 five approaches for forecasting and also computed their accuracy in prediction using suitably chosen training and test data sets. Extensive results are presented to demonstrate the effectiveness of our proposed decomposition approaches of time series and the efficiency of our forecasting techniques, even in presence of a random component and a sharply changing trend component in the time-series.

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.

The task of text-to-SQL parsing, which aims at converting natural language questions into executable SQL queries, has garnered increasing attention in recent years, as it can assist end users in efficiently extracting vital information from databases without the need for technical background. One of the major challenges in text-to-SQL parsing is domain generalization, i.e., how to generalize well to unseen databases. Recently, the pre-trained text-to-text transformer model, namely T5, though not specialized for text-to-SQL parsing, has achieved state-of-the-art performance on standard benchmarks targeting domain generalization. In this work, we explore ways to further augment the pre-trained T5 model with specialized components for text-to-SQL parsing. Such components are expected to introduce structural inductive bias into text-to-SQL parsers thus improving model's capacity on (potentially multi-hop) reasoning, which is critical for generating structure-rich SQLs. To this end, we propose a new architecture GRAPHIX-T5, a mixed model with the standard pre-trained transformer model augmented by some specially-designed graph-aware layers. Extensive experiments and analysis demonstrate the effectiveness of GRAPHIX-T5 across four text-to-SQL benchmarks: SPIDER, SYN, REALISTIC and DK. GRAPHIX-T5 surpass all other T5-based parsers with a significant margin, achieving new state-of-the-art performance. Notably, GRAPHIX-T5-large reach performance superior to the original T5-large by 5.7% on exact match (EM) accuracy and 6.6% on execution accuracy (EX). This even outperforms the T5-3B by 1.2% on EM and 1.5% on EX.

Named entity disambiguation (NED), which involves mapping textual mentions to structured entities, is particularly challenging in the medical domain due to the presence of rare entities. Existing approaches are limited by the presence of coarse-grained structural resources in biomedical knowledge bases as well as the use of training datasets that provide low coverage over uncommon resources. In this work, we address these issues by proposing a cross-domain data integration method that transfers structural knowledge from a general text knowledge base to the medical domain. We utilize our integration scheme to augment structural resources and generate a large biomedical NED dataset for pretraining. Our pretrained model with injected structural knowledge achieves state-of-the-art performance on two benchmark medical NED datasets: MedMentions and BC5CDR. Furthermore, we improve disambiguation of rare entities by up to 57 accuracy points.