论文检索

Deep Learning · Everything Else

Peiming Li, Zhiyuan Hu, Shiyu Li, Xi Chen, Yang Tang

Personalized alignment is crucial for enabling Large Language Models (LLMs) to engage effectively in user-centric interactions. However, current methods face a dual challenge: they fail to infer users' deep implicit preferences (including unstated goals, semantic context and risk tolerances), and they lack the defensive reasoning required to navigate real-world ambiguity. This cognitive gap leads to responses that are superficial, brittle and short-sighted. To address this, we propose Critique-Driven Reasoning Alignment (CDRA), which reframes alignment from a scalar reward-matching task into a structured reasoning process. First, to bridge the preference inference gap, we introduce the DeepPref benchmark. This dataset, comprising 3000 preference-query pairs across 20 topics, is curated by simulating a multi-faceted cognitive council that produces critique-annotated reasoning chains to deconstruct query semantics and reveal latent risks. Second, to instill defensive reasoning, we introduce the Personalized Generative Process Reward Model (Pers-GenPRM), which frames reward modeling as a personalized reasoning task. It generates a critique chain to evaluate a response's alignment with user preferences before outputting a final score based on this rationale. Ultimately, this interpretable, structured reward signal guides policy model through Critique-Driven Policy Alignment, a process-level online reinforcement learning algorithm integrating both numerical and natural language feedback. Experiments demonstrate that CDRA excels at discovering and aligning with users' true preferences while executing robust reasoning. Our dataset is available at \url{https://DeepPref.github.io/}.

Feng Chen, YEFEI HE, Lequan Lin, Jing Liu, Chenhui Gou, Bohan Zhuang, Qi Wu

Sparse attention mechanisms aim to reduce computational overhead with minimal accuracy loss by selectively processing salient tokens. Despite their effectiveness, most methods merely exploit a model’s inherent sparsity and thus plateau at moderate budgets (about 50\% token reduction), with little headroom to push budget lower without hurting accuracy. Other approaches attempt to enforce sparsity through trainable sparse attention or sharpness-inducing regularizers, but these either fix rigid patterns that ignore input and layer dynamics, or optimize proxy objectives without direct control over token budgets. In this paper, we explicitly reinforce token sparsity in well-posed multimodal large language models (MLLMs) through a simple RL-based post-training framework named $\textit{Sparsity Forcing}$. Our method explores the efficiency-accuracy trade-off by running multiple rollouts with different token budgets, where both efficiency (token reduction ratio) and performance (answer correctness) are formulated as joint rewards. By contrasting rollouts within each group, the more efficient and correct answer is rewarded while less efficient or incorrect ones are penalized, thereby turning token saving into an end-to-end, inference-consistent optimization objective. Across thirteen image and video benchmarks, Sparsity Forcing raises token reduction ratio on Qwen2-VL/Qwen2.5-VL from 20\% to 75\% with minimal accuracy decline, significantly reducing long-context inference memory by up to 3$\times$ while speeding up decoding by up to 3.3$\times$.

Deep Learning · Everything Else

Fan Shi, Yuxuan Liang, Xiaolei Chen, Haiyang Yu, Xu Li, Yi Zheng, Rui Zhu, Xiangyang Xue, Bin Li

Human cognition is compositional, and one can parse a visual scene into independent concepts and the corresponding concept-changing rules. By contrast, many vision-language systems process images holistically, with limited support for explicit decomposition. Previous methods of decomposing concepts and rules often rely on hand-crafted inductive biases or human-designed priors. We introduce a Concept-Rule Decomposition (CRD) framework to decompose concept-level rules with Large Vision-Language Models (LVLMs), which explains visual input by leveraging LVLM-extracted concepts and the rules governing their variation. The proposed method operates in two stages: (1) a pretrained LVLM proposes visual concepts and concept values, which are employed to instantiate a space of concept rule functions that model concept changes and spatial distributions; (2) an iterative process to select a concise set of concepts that best account for the input according to the rule function. We evaluate CRD on an abstract visual reasoning benchmark, a spatial reasoning benchmark, and a real-world image caption dataset. Across both settings, our approach outperforms baseline models while improving interpretability by explicitly revealing underlying concepts and compositional rules, advancing explainable and generalizable visual reasoning.

General Machine Learning · Everything Else

Wei Wang, Tianhao Ma, Ming-Kun Xie, Gang Niu, Masashi Sugiyama

Partial multi-label learning and complementary multi-label learning are two popular weakly supervised multi-label classification paradigms that aim to alleviate the high annotation costs of collecting precisely annotated multi-label data. In partial multi-label learning, each instance is annotated with a candidate label set, among which only some labels are relevant; in complementary multi-label learning, each instance is annotated with complementary labels indicating the classes to which the instance does not belong. Existing consistent approaches for the two paradigms either require accurate estimation of the generation process of candidate or complementary labels or assume a uniform distribution to eliminate the estimation problem. However, both conditions are usually difficult to satisfy in real-world scenarios. In this paper, we propose consistent approaches that do not rely on the aforementioned conditions to handle both problems in a unified way. Specifically, we propose two risk estimators based on first- and second-order strategies. Theoretically, we prove consistency w.r.t. two widely used multi-label classification evaluation metrics and derive convergence rates for the estimation errors of the proposed risk estimators. Empirically, extensive experimental results on both real-world and synthetic datasets validate the effectiveness of our proposed approaches against state-of-the-art methods.

Applications · Everything Else

Jiedong Jiang, Wanyi He, Wang Yuefeng, Guoxiong Gao, Yongle Hu, Jingting Wang, Nailin Guan, Peihao Wu, Bryan Dai, Liang Xiao 等

Recent advances in large language models (LLMs) have demonstrated impressive capabilities in formal theorem proving, particularly on contest-based mathematical benchmarks like the IMO. However, these contests do not reflect the depth, breadth, and abstraction of modern mathematical research. To bridge this gap, we introduce **FATE**, a new benchmark series in formal algebra designed to chart a course toward advanced mathematical reasoning. We present two new components, FATE-H and FATE-X, each with 100 problems in abstract and commutative algebra. The FATE series spans a difficulty spectrum from undergraduate exercises to problems exceeding PhD qualifying exams. Notably, FATE-X is the first formal benchmark to surpass both PhD-level exam difficulty and the coverage of the Mathlib library. Our evaluations of state-of-the-art LLM provers on this new benchmark reveal a stark performance gap compared to contest math: the best model achieves only 3\% (pass@64) accuracy on FATE-H and 0\% on FATE-X. Our two-stage evaluation reveals that models' natural-language reasoning is notably more accurate than their ability to formalize this reasoning. We systematically classify the common errors that arise during this formalization process. Furthermore, a comparative study shows that a specialized prover can exhibit less effective reflection than general-purpose models, reducing its accuracy at the natural-language stage. We believe FATE provides a robust and challenging benchmark that establishes essential checkpoints on the path toward research-level formal mathematical reasoning.

Ang Li, Charles L. Wang, Deqing Fu, Kaiyu Yue, Zikui Cai, Wang Zhu, Ollie Liu, Peng Guo, Willie Neiswanger, Furong Huang 等

Humans often rely on visual aids, such as diagrams or sketches, when tackling complex problems. Teaching multimodal models to adopt similar strategies, a process known as Visual Chain of Thought (visual CoT), is much more difficult. The main challenges are: (1) weak performance of off-the-shelf visual CoT, which hinders reinforcement learning, and (2) the lack of high-quality visual CoT training data. We introduce **Zebra-CoT** a diverse large-scale interleaved text-image reasoning dataset with 182,384 reasoning traces across 18 domains with over 50 distinct tasks. This dataset is specifically designed to train models to natively perform visual CoT. We emphasize four categories of tasks where sketching or visual reasoning is especially natural, spanning (a) *scientific questions* such as geometry, physics, and algorithms; (b) *2D visual reasoning tasks* like visual search and jigsaw puzzles; (c) *3D reasoning tasks* including 3D multi-hop inference, embodied and robot planning; and (d) *visual logic problems and strategic games* like chess. Fine-tuning Anole‑7B model on Zebra-CoT yields a +12\% improvement in our test‑set accuracy and up to +13\% performance gains on standard VLM benchmarks. Similarly, fine-tuning Bagel‑7B produces models capable of generating high-quality interleaved visual reasoning chains, underscoring Zebra-CoT's effectiveness in advancing multimodal reasoning.

Social Aspects · Trustworthy Machine Learning

Monte Hoover, Vatsal Baherwani, Neel Jain, Khalid Saifullah, Joseph J Vincent, Chirag Jain, Melissa Rad, C. Bruss, Ashwinee Panda, Tom Goldstein

Guardian models play a crucial role in ensuring the safety and ethical behavior of user-facing AI applications by enforcing guardrails and detecting harmful content. While standard guardian models are limited to predefined, static harm categories, we introduce DynaGuard, a suite of dynamic guardian models offering novel flexibility by evaluating text based on user-defined policies, and DynaBench, a dataset for training and evaluating dynamic guardian models. Our models provide both rapid detection of policy violations and a chain-of-thought reasoning option that articulate and justify model outputs. Critically, DynaGuard not only surpasses static models in detection accuracy on traditional safety categories, but is competitive with frontier reasoning models on free-form policy violations, all in a fraction of the time. This makes DynaGuard an critical tool for language model guardrails.

Deep Learning · Everything Else

Akira Ito, Masanori Yamada, Daiki Chijiwa, Atsutoshi Kumagai

Recently, Ainsworth et al. empirically demonstrated that, given two independently trained models, applying a parameter permutation that preserves the input–output behavior allows the two models to be connected by a low-loss linear path. When such a path exists, the models are said to achieve linear mode connectivity (LMC). Prior studies, including Ainsworth et al. (2023), have reported that achieving LMC requires not only an appropriate permutation search but also sufficiently wide models (e.g., a 32 $\times$ width multiplier for ResNet-20). This is broadly believed to be because increasing the model width ensures a large enough space of candidate permutations, increasing the chance of finding one that yields LMC. In this work, we empirically demonstrate that, __even without any permutations__, simply widening the models is sufficient for achieving LMC when using a suitable softmax temperature calibration. We further explain why this phenomenon arises by analyzing intermediate layer outputs. Specifically, we introduce layerwise exponentially weighted connectivity (LEWC), which states that the output of each layer of the merged model can be represented as an exponentially weighted sum of the outputs of the corresponding layers of the original models. Consequently the merged model's output matches that of an ensemble of the original models, facilitating LMC. To the best of our knowledge, this work is the first to show that widening the model not only facilitates __nonlinear__ mode connectivity, as suggested in prior research, but also significantly increases the possibility of achieving __linear__ mode connectivity.

Deep Learning · Attention Mechanisms

Ethan Ewer, Daewon Chae, Thomas Zeng, Jinkyu Kim, Kangwook Lee, Daewon Chae

Next-token prediction is conventionally done using decoder-only Transformers with causal attention, as this approach allows for efficient reuse of keys and values. What if we were not compute-limited, should we still use decoder-only Transformers? In this work, we introduce Encoder-only Next Token Prediction (ENTP). We explore the differences between ENTP and decoder-only Transformers in expressive power and complexity, highlighting potential advantages of ENTP in settings with unbounded compute. We introduce the $\operatorname{Count3}$ task and show, both theoretically and experimentally, that while ENTP can perform this task easily, a decoder-only Transformer cannot. Finally, we empirically demonstrate the superior performance of ENTP across representative tasks where next-token prediction based Transformers can be evaluated, including addition, in-context learning, and language modeling.

Deep Learning · Everything Else

Zichen Wen, Jiashu Qu, Zhaorun Chen, Xiaoya Lu, Dongrui Liu, Zhiyuan Liu, Ruixi Wu, Yicun Yang, Xiangqi Jin, Haoyun Xu 等

Diffusion-based large language models (dLLMs) have recently emerged as a powerful alternative to autoregressive LLMs, offering faster inference and greater interactivity via parallel decoding and bidirectional modeling. However, despite strong performance in code generation and text infilling, we identify a fundamental safety concern: existing alignment mechanisms fail to safeguard dLLMs against context-aware, masked-input adversarial prompts, exposing novel vulnerabilities. To this end, we present **DIJA**, the first systematic study and jailbreak attack framework that exploits unique safety weaknesses of dLLMs. Specifically, our proposed DIJA constructs adversarial interleaved mask-text prompts that exploit the text generation mechanisms of dLLMs, i.e., bidirectional modeling and parallel decoding. Bidirectional modeling drives the model to produce contextually consistent outputs for masked spans, even when harmful, while parallel decoding limits model dynamic filtering and rejection sampling of unsafe content. This causes standard alignment mechanisms to fail, enabling harmful completions in alignment-tuned dLLMs, even when harmful behaviors or unsafe instructions are directly exposed in the prompt. Through comprehensive experiments, we demonstrate that DIJA significantly outperforms existing jailbreak methods, exposing a previously overlooked threat surface in dLLM architectures. Notably, our method achieves up to 100\% keyword-based ASR on Dream-Instruct, surpassing the strongest prior baseline, ReNeLLM, by up to 78.5\% in evaluator-based ASR on JailbreakBench and by 37.7 points in StrongREJECT score, while requiring no rewriting or hiding of harmful content in the jailbreak prompt. Our findings underscore the urgent need for rethinking safety alignment in this emerging class of language models. Code is available at https://github.com/ZichenWen1/DIJA.

Applications · Everything Else

Xiaoxue Ren, Penghao Jiang, Kaixin Li, Zhiyong Huang, Xiaoning Du, Jiaojiao Jiang, Zhenchang Xing, Jiamou Sun, Terry Yue Zhuo

Web applications are prime targets for cyberattacks due to their role as entry points to vital services and sensitive data repositories. Traditional penetration testing is expensive and requires specialized expertise, creating scalability challenges for securing the expanding web ecosystem. While language model agents have shown promise in certain cybersecurity tasks, modern web applications require visual understanding of complex user interfaces, dynamic content rendering, and multi-step interactive workflows that only computer-use agents (CUAs) can handle. Despite CUAs' demonstrated capabilities in web browsing and visual task automation, their potential to discover and exploit web application vulnerabilities through graphical interfaces remains unknown. We introduce HackWorld, the first evaluation framework for systematically assessing CUAs' capabilities in exploiting web application vulnerabilities through visual interaction. Unlike existing benchmarks using sanitized environments, HackWorld exposes CUAs to 36 curated applications spanning 11 frameworks and 7 languages, containing realistic vulnerabilities including injection flaws, authentication bypasses, and unsafe input handling. Our framework directly evaluates CUAs' ability to discover and exploit these vulnerabilities using Capture-the-Flag (CTF) methodology while navigating complex web interfaces. Evaluation of state-of-the-art CUAs reveals exploitation rates below 12%, struggling to plan multi-step attacks and use security tools effectively. Our results expose CUAs' limited cybersecurity skills when operating on vulnerable web applications, opening future research directions on developing security-aware CUAs for vulnerability detection and exploitation.

Applications · Language, Speech and Dialog

John Kirchenbauer, Natjanan Mongkolsupawan, Yuxin Wen, Tom Goldstein, Daphne Ippolito

When language models are trained on textual data, they acquire both knowledge about the structure of language as well as knowledge of facts about the world. At inference time, their knowledge of facts can be leveraged to solve interesting problems and perform useful knowledge work for users. It is well known that language models can verbatim memorize long sequences from their training data. However, it is much less well understood how language models memorize facts seen during training. In this work, we propose a new dataset to specifically empower researchers to study the dual processes of fact memorization and verbatim sequence memorization. The dataset consists of synthetically-generated, webtext-like documents about fictional events, as well as question-answer pairs about the events. We conduct training experiments showing how synthetic data about fictional events can be effective in teasing apart different forms of memorization. We also document the challenges in effectively building realistic, fictional synthetic data.

General Machine Learning · Representation Learning

Luyao Tang, Kunze Huang, Chaoqi Chen, Cheng Chen

Generalized Category Discovery (GCD) seeks to discover categories by clustering unlabeled samples that mix known and novel classes. While the prevailing recipe enforces compact clustering, this pursuit is largely blind to representation geometry: it over-compresses token manifolds, distorts eigen-structure, and yields brittle feature distributions that undermine discovery. We argue that GCD requires not more compression, but geometric restoration of an over-flattened feature space. Drawing inspiration from quantum information science, which similarly pursues representational completeness, we introduce Bures-Isotropy Alignment (BIA), which optimizes the mini-batch class-token Gram toward an isotropic prior by minimizing the Bures distance. Under a mild trace constraint, BIA admits a practical surrogate equivalent to maximizing the nuclear norm of stacked class tokens, thereby promoting isotropic, non-collapsed subspaces without altering architectures. The induced isotropy homogenizes the eigen-spectrum and raises the von Neumann entropy, improving both cluster separability and class-number estimation. BIA is plug-and-play, implemented in a few lines on unlabeled batches, and generally boosts strong GCD baselines on coarse- and fine-grained benchmarks, improving overall accuracy and reducing errors in the estimation of class-number. By restoring the geometry of token manifolds rather than compressing them blindly, BIA supplies compactness for known classes and cohesive emergence for novel ones, advancing robust open-world discovery. Code is available at github.com/lytang63/BIA.

Deep Learning · Everything Else

Mariia Seleznova, Hung-Hsu Chou, Claudio Mayrink Verdun, Gitta Kutyniok

We introduce GradPCA, an Out-of-Distribution (OOD) detection method that exploits the low-rank structure of neural network gradients induced by Neural Tangent Kernel (NTK) alignment. GradPCA applies Principal Component Analysis (PCA) to gradient class-means, achieving more consistent performance than existing methods across standard image classification benchmarks. We provide a theoretical perspective on spectral OOD detection in neural networks to support GradPCA, highlighting feature-space properties that enable effective detection and naturally emerge from NTK alignment. Our analysis further reveals that feature quality—particularly the use of pretrained versus non-pretrained representations—plays a crucial role in determining which detectors will succeed. Extensive experiments validate the strong performance of GradPCA, and our theoretical framework offers guidance for designing more principled spectral OOD detectors.

Applications · Chemistry and Drug Discovery

Kacper Kapusniak, Cristian Gabellini, Michael Bronstein, Prudencio Tossou, Francesco Di Giovanni

Molecular Dynamics (MD) is a powerful computational microscope for probing protein functions. However, the need for fine-grained integration and the long timescales of biomolecular events make MD computationally expensive. To address this, several generative models have been proposed to generate surrogate trajectories at lower cost. Yet, these models typically learn a fixed-lag transition density, causing the training signal to be dominated by frequent but uninformative transitions. We introduce a new class of generative models, **MSM Emulators**, which instead learn to sample transitions across discrete states defined by an underlying Markov State Model (MSM). We instantiate this class with Markov Space Flow Matching (MarS-FM), whose sampling offers more than two orders of magnitude speedup compared to implicit- or explicit-solvent MD simulations. We benchmark Mars-FM ability to reproduce MD statistics through structural observables such as RMSD, radius of gyration, and secondary structure content. Our evaluation spans protein domains (up to 500 residues) with significant chemical and structural diversity, including unfolding events, and enforces strict sequence dissimilarity between training and test sets to assess generalization. Across all metrics, MarS-FM outperforms existing methods, often by a substantial margin.

Hang Guo, Luca Benini, Yawei Li

Recent advances in Large Language Model (LLM) compression, such as quantization and pruning, have achieved notable success. However, as these techniques gradually approach their limits, relying on a single method for further compression has become increasingly challenging. In this work, we explore an alternative solution by combining quantization and sparsity. This joint approach, though promising, introduces new difficulties due to the inherently conflicting requirements on weight distributions: quantization favors compact ranges, while pruning benefits from high variance. To attack this problem, we propose Optimal Brain Restoration (OBR), a general and training-free framework that aligns pruning and quantization by error compensation between both. OBR minimizes performance degradation on downstream tasks by building on a second-order Hessian objective, which is then reformulated into a tractable problem through surrogate approximation and ultimately reaches a closed-form solution via group error compensation. Experiments show that OBR incurs only a 1.4 perplexity degradation on Llama2-7B to enable aggressive W4A4KV4 quantization with 50% sparsity, delivering up to 4.72x speedup and 6.4x memory reduction compared to the FP16-dense baseline.

Dmitry Kovalev

In this paper, we revisit stochastic gradient descent (SGD) with AdaGrad-type preconditioning. Our contributions are twofold. First, we develop a unified convergence analysis of SGD with adaptive preconditioning under anisotropic or matrix smoothness and noise assumptions. This allows us to recover state-of-the-art convergence results for several popular adaptive gradient methods, including AdaGrad-Norm, AdaGrad, and ASGO/One-sided Shampoo. In addition, we establish the fundamental connection between two recently proposed algorithms, Scion and DASGO, and provide the first theoretical guarantees for the latter. Second, we show that the convergence of methods like AdaGrad and DASGO can be provably accelerated beyond the best-known rates using Nesterov momentum. Consequently, we obtain the first theoretical justification that AdaGrad-type algorithms can simultaneously benefit from both diagonal preconditioning and momentum, which may provide an ultimate explanation for the practical efficiency of Adam.

Deep Learning · Everything Else

Myoung Hoon Ha, Hyunjun Kim, Yoondo Sung, Youngha Jo, Min Kang, Sang Wan Lee

Predictive Coding Networks (PCNs) offer a biologically inspired alternative to conventional deep neural networks. However, their scalability is hindered by severe training instabilities that intensify with network depth. Through dynamical mean-field analyses, we identify two fundamental pathologies that impede deep PCN training: (1) prediction error (PE) imbalance that leads to uneven learning across layers, characterized by error concentration at network boundaries; and (2) exploding and vanishing prediction errors (EVPE) sensitive to weight variance. To address these challenges, we propose Meta-PCN, a unified framework that incorporates two synergistic components: (1) a loss based on meta-prediction error, which minimizes PEs of PEs to linearize the nonlinear inference dynamics; and (2) weight regularization that employs normalization to regulate weight variance and mitigate EVPE. Extensive experimental validation on CIFAR-10/100 and TinyImageNet demonstrates that Meta-PCN \rev{achieves} statistically significant improvements over conventional PCNs, outperforming backpropagation in most tested configurations, while preserving the local learning rules of PCNs.

Tim Franzmeyer, Archie Sravankumar, Lijuan Liu, Yuning Mao, Rui Hou, Sinong Wang, Jakob Foerster, Luke Zettlemoyer, Madian Khabsa

Large Language Models (LLMs) currently respond to every prompt. However, they can produce incorrect answers when they lack knowledge or capability -- a problem known as hallucination. We instead propose post-training an LLM to generate content only when confident in its correctness and to otherwise (partially) abstain. Specifically, our method, HALT, produces capability-aligned post-training data that encodes what the model can and cannot reliably generate. We generate this data by splitting responses of the pretrained LLM into factual fragments (atomic statements or reasoning steps), and use ground truth information to identify incorrect fragments. We achieve capability-aligned finetuning responses by either removing incorrect fragments or replacing them with "Unsure from Here" -- according to a tunable threshold that allows practitioners to trade off response completeness and mean correctness of the response's fragments. We finetune four open-source models for biography writing, mathematics, coding, and medicine with HALT for three different trade-off thresholds. HALT effectively trades off response completeness for correctness, increasing the mean correctness of response fragments by 15% on average, while resulting in a 4% improvement in the F1 score (mean of completeness and correctness of the response) compared to the relevant baselines. By tuning HALT for highest correctness, we train a single reliable Llama3-70B model with correctness increased from 51% to 87% across all four domains while maintaining 53% of the response completeness achieved with standard finetuning.

General Machine Learning · Representation Learning

Tin Hadži Veljković, Erik Bekkers, Michael Tiemann, Jan-Willem van de Meent

Many learning problems require predicting sets of objects when the number of objects is not known beforehand. Examples include object detection, molecular modeling, and scientific inference tasks such as astrophysical source detection. Existing methods often rely on padded representations or must explicitly infer the set size, which often poses challenges. We present a novel strategy for addressing this challenge by casting prediction of variable-sized sets as a continuous inference problem. Our approach, CORDS (Continuous Representations of Discrete Structures), provides an invertible mapping that transforms a set of spatial objects into continuous fields: a density field that encodes object locations and count, and a feature field that carries their attributes over the same support. Because the mapping is invertible, models operate entirely in field space while remaining exactly decodable to discrete sets. We evaluate CORDS across molecular generation and regression, object detection, simulation-based inference, and a mathematical task involving recovery of local maxima, demonstrating robust handling of unknown set sizes with competitive accuracy.