ICML 2026 论文列表

We study the extent to which rotary position encodings (RoPE), a recent transformer position encoding algorithm broadly adopted in large language models (LLMs) and vision transformers (ViTs), can be applied to graph-structured data. We find that rotating tokens depending on the spectrum of the graph Laplacian efficiently injects structural information into the attention mechanism, boosting performance in synthetic and real-world graph learning tasks. This approach, coined _Wave-Induced Rotary Encodings_ (WIRE), enjoys intriguing theoretical properties: it recovers regular RoPE on grids, and depends asymptotically on the graph effective resistance. Unlike bias-based relative position encodings, WIRE is compatible with linear attention.

We introduce SeisMark, a large-scale open benchmark designed to bridge the gap between verifiable ground truth and realistic texture in 3D seismic fault detection. Using a novel pipeline merging procedural geology with diffusion-based synthesis, we produce domain-realistic (survey-specific) textured volumes that expose significant brittleness in existing models masked by simplified physics data. Experiments demonstrate that SeisMark acts as a rigorous discriminator, distinguishing robust modern architecture from legacy model that suffers performance collapse under realistic domain shifts. We release this benchmark to the community to serve as a verifiable standard for developing trustworthy, deployment-ready AI for safety-critical subsurface applications.

Large reasoning models achieve strong performance through test-time scaling, but this incurs substantial computational overhead due to long decoding from short prompts. While sparse attention can reduce latency and memory usage, existing methods often degrade reasoning accuracy because selection errors accumulate over long generation horizons, or require costly retraining. We introduce LessIsMore, a training-free sparse attention mechanism for long-horizon reasoning. Our key insight is that token importance in reasoning is global and stable: critical tokens are largely shared across attention heads and remain stable over decoding steps. Guided by this structure, LessIsMore enforces cross-head unified token selection and preserves recent context via a stable recency window, yielding a globally consistent token set that can be reused across layers. Across multiple model families and challenging reasoning benchmarks, LessIsMore matches or improves accuracy while attending to substantially fewer tokens. With kernel-level optimizations, LessIsMore achieves up to $1.6\times$ end-to-end decoding speedup and up to $1.72\times$ faster sparse attention computation, with additional long-context results demonstrating the generality of our approach.

Transformer-based Spiking Neural Networks (SNNs) have recently emerged as a promising paradigm to sequential modeling, combining the strong representational capabilities of Transformers with the sparse spike-driven computation of SNNs. Within such position-agnostic architectures, positional encoding is critical for injecting order information, allowing the model to distinguish token positions, capture sequential dependencies, and represent relative relationships among tokens. However, existing positional encoding methods for SNNs are largely inherited from ANNs and, in doing so, undermine the spike-driven computational properties that are central to spiking transformers. To address this limitation, we propose the Spiking Positional Encoding (SPE), a method designed specifically for Spiking Transformers, aimed at encoding relative positional information while preserving both spike-driven computation and the linear complexity of spiking self-attention. The core component of SPE is the Positional Encoding Leaky Integrate-and-Fire (PE-LIF) neuron, which incorporates position-dependent signals into neuronal thresholds and implicitly propagates this information through spike trains via continuous firing and membrane potential reset dynamics. Extensive experiments on thirteen NLP benchmarks demonstrate that SPE consistently outperforms existing SNN positional encoding methods, strengthens the sequence modeling capability, and improves energy efficiency without introducing additional trainable parameters. Code is available at https://github.com/CayleyZ/SPE.

Large language models (LLMs) have shown promising potential in materials science, enabling tasks ranging from knowledge retrieval to property prediction. Existing materials science benchmarks mainly focus on perceptual or knowledge-based tasks, largely ignoring the structure modelling tasks, a core challenge in real scientific workflows. In practice, constructing and manipulating atomic structures is one of the most creative and least automated steps in materials research. In this work, we introduce AtomWorld, a benchmark designed to evaluate the abilities of LLMs on structure modifications. The benchmark includes ten fundamental actions under four widely used modelling categories, enabling verifiable evaluation metrics. We find that Gemini 2.5 Pro generally performs the best. While the success rate decreases markedly with increasing modelling complexity, with particularly low success rates (below 12\% for rotation) for operations involving complex spatial relations. Our results suggest that contemporary LLMs are better suited as copilots for materials structure modelling rather than fully unsupervised autonomous scientific agents. Beyond evaluation, AtomWorld also serves as a testbed and playground for developing future structure-aware models, including reinforcement learning and agentic approaches.

We show that reinforcement learning with verifiable rewards (RLVR) can elicit strong mathematical reasoning in certain language models even with spurious rewards that have little, no, or outright negative correlation with the correct answer. For example, RLVR training with GRPO improves MATH-500 performance for Qwen2.5-Math-7B in absolute points by 21.4% using randomly assigned rewards, nearly matching the 29.1% gained with ground truth rewards. To explain this counterintuitive observation, we show that GRPO exhibits a clipping bias arising from the clip term, which can amplify high-prior behaviors learned during pre-training even without informative rewards. As a case study, we identify one such high-prior behavior for Qwen2.5-Math models, which we term code reasoning---reasoning in code without actual code execution; code reasoning frequency increases from 65% to over 90% with spurious rewards. However, the presence of such amplifiable behaviors is highly model-dependent. In practice, spurious rewards that are effective for Qwen models often fail to produce gains for other model families, such as Llama3 or OLMo2. Our results highlight the importance of validating RL methods across diverse models rather than relying on a single de facto choice: large performance gains can arise on Qwen models even from random rewards that do not reflect genuine capability improvements.

Evolving data streams induce joint nonstationarity in continual semantic segmentation, where semantic classes, input distributions, and supervision availability change simultaneously over time. This setting reflects practical structured prediction systems, yet remains largely unexplored in prior continual learning work, which typically studies these factors in isolation. We formalize continual segmentation under coupled class, domain, and label shifts and investigate learning in heterogeneous dense prediction environments with limited annotations and abundant unlabeled data. To address instability and overfitting arising from few-shot supervision under distribution drift, we introduce gradient-adaptive stabilization, a parameter-wise regularization mechanism implemented via gradient-scaled stochastic perturbations that promotes a principled stability–plasticity tradeoff. We further leverage unlabeled data through semi-supervised learning and introduce prototype anchored supervision that validates pseudo-labels via joint confidence and prototype consistency. Together, these mechanisms enable learning under joint nonstationarity in continual segmentation. Extensive empirical evaluation across class-incremental, domain-incremental, and few-shot regimes demonstrates consistent improvements over prior methods in heterogeneous structured prediction settings. Our results expose fundamental failure modes of existing continual segmentation approaches and provide insight into learning robust dense predictors in dynamically evolving environments. Our code is available at https://github.com/prinshul/JASCL.git.

Causal inference in modern large-scale systems faces growing challenges, including high-dimensional covariates, multi-valued treatments, massive observational (OBS) data, and limited randomized controlled trial (RCT) samples due to cost constraints. We formalize treatment-induced structural non-overlap and show that, under this regime, commonly used weighted fusion methods provably fail to satisfy randomized identifying restrictions.To address this issue,we propose a constrained joint estimation framework that minimizes observational risk while enforcing causal validity through orthogonal experimental moment conditions. We further show that structural non-overlap creates a feasibility obstruction for moment enforcement in the original covariate space.We also derive a penalized primal–dual algorithm that jointly learns representations and predictors, and establish oracle inequalities decomposing error into overlap recovery, moment violation, and statistical terms.Extensive synthetic experiments demonstrate robust performance under varying degrees of non-overlap. A large-scale ride-hailing application shows that our method achieves substantial gains over existing baselines, matching the performance of models trained with significantly more RCT data.

The veracious semantic alignment in autoformalization is significant for formal mathematical reasoning. However, existing evaluations provide only opaque binary verdicts or scalar scores, offering no interpretable insight into where or why translations fail. This opacity severely limits both human understanding and automated system improvement. To bridge this gap, we introduce FormalRx, a comprehensive diagnostic evaluation framework that transforms autoformalization assessment from black-box judgments into actionable feedback. At its core is SCI Error Taxonomy, a hierarchical classification scheme decomposing autoformalization errors into 28 distinct categories with strict priority ordering. Building on this taxonomy, FormalRx provides four critical diagnostic capabilities: alignment verdicts, error categorization, error localization, and correction. We instantiate the framework with a diagnostic model FormalRx-8B, trained on 56,287 synthetically generated samples with fine-grained diagnostic annotations, and release FormalRx-Test as the first fine-grained diagnostic benchmark. FormalRx-8B achieves F1-scores of 0.88 (verdict) and 0.71 (categorization), along with accuracies of 0.75 (localization) and 0.73 (correction), substantially outperforming both general-purpose LLMs and specialized baselines. By connecting evaluation with actionable insights, FormalRx enables systematic diagnosis and improvement of autoformalization systems.

As LLM-based agents increasingly operate in high-stakes domains with real-world consequences, ensuring their behavioral safety becomes paramount. The dominant oversight paradigm, *LLM-as-a-Judge*, faces a fundamental dilemma: how can probabilistic systems reliably supervise other probabilistic systems without inheriting their failure modes? We argue that formal verification offers a principled escape from this dilemma, yet its adoption has been hindered by a critical bottleneck: the translation from natural language requirements to formal specifications. This paper bridges this gap by proposing , a neuro-symbolic framework that employs a bidirectional **Formal-of-Thought** architecture: LLMs serve as *specification compilers* that top-down decompose high-level human intent into atomic, verifiable constraints, then bottom-up prove compliance using Dafny specifications and Z3 Satisfiability modulo theories solving, which produces mathematical guarantees rather than probabilistic scores. We validate across three benchmarks spanning behavioral safety, multi-domain constraint adherence, and agentic upward deception detection. Experiments on 7 agent models demonstrate that achieves an average improvement of **16.6%** over LLM-as-a-Judge baselines, enables *weak-to-strong* generalization where a 7B judge achieves over 90% accuracy detecting deception from 72B agents, and provides *near-linear safety improvement* through iterative refinement.

Muon updates matrix parameters via the matrix sign of the gradient and has shown strong empirical gains, yet its dynamics and scaling behavior remain unclear in theory. We study Muon in a linear associative memory model with softmax retrieval and a hierarchical frequency spectrum over query–answer pairs, with and without label noise. In this setting, we show that Gradient Descent (GD) learns frequency components at highly imbalanced rates, leading to slow convergence bottlenecked by low-frequency components. In contrast, the Muon optimizer mitigates this imbalance, leading to faster and more uniform progress. Specifically, in the noiseless case, Muon achieves an exponential speedup over GD; in the noisy case with a power-law frequency spectrum, we derive Muon's scaling law and demonstrate its superior scaling efficiency over GD. Furthermore, we show that Muon can be interpreted as an implicit matrix preconditioner arising from adaptive task alignment and block-symmetric gradient structure. In contrast, the preconditioner with coordinate-wise sign operator could match Muon under oracle access to unknown task representations, which is infeasible for SignGD in practice. Experiments on synthetic long-tail classification and LLaMA-style pre-training corroborate the theory.

Strategic classification studies the interaction between decision models and agents who strategically manipulate their features for favorable outcomes. Existing SC frameworks typically rely on the idealized assumption that agents are strictly rational. However, evidence from behavioral economics and psychology consistently shows that real-world decision-making is often shaped by cognitive biases, deviating from pure rationality. To formalize this limitation, we identify and define a new problem setting, termed the behaviorally realistic strategic classification problem, where agents’ strategic manipulations deviate from full rationality due to psychological biases. Motivated by the identified limitation, we propose the Prospect-Guided Strategic Framework (Pro-SF) to address the problem, a principled framework grounded in prospect theory to model and learn under behaviorally realistic strategic responses. Specifically, to capture behaviorally realistic strategic manipulations, our framework reformulates the Stackelberg-style interaction between agents and the decision-maker by incorporating three key mechanisms inspired by prospect theory, including the asymmetry between benefits and costs, different subjective reference points, and non-rational probability distortion. Experiments on synthetic and real-world datasets establish Pro-SF as a behaviorally grounded approach to strategic classification, bridging machine learning and behavioral economics for more reliable deployment in the real world.

Large Language Models (LLMs) exhibit significant safety disparities across languages, with low-resource languages (LRLs) often bypassing safety guardrails established for high-resource languages (HRLs) like English. Existing solutions, such as multilingual supervised fine-tuning (SFT) or Reinforcement Learning from Human Feedback (RLHF), are computationally expensive and de- pendent on scarce multilingual safety data. In this paper, we propose a novel, training-free alignment framework based on Sparse Weight Editing. Identifying that safety capabilities are localized within a sparse set of ”safety neurons,” we formulate the cross-lingual alignment problem as a constrained linear transformation. We derive a closed-form solution to optimally map the harmful representations of LRLs to the robust safety subspaces of HRLs, while preserving general utility via a null-space projection constraint. Extensive experiments across 8 languages and multiple model families (Llama-3, Qwen-2.5) demonstrate that our method significantly reduces Attack Success Rate (ASR) in LRLs with negligible impact on general reasoning capabilities, all achieved with a single, data-efficient calculation.

This paper studies \emph{preference-based reinforcement learning} (PbRL), where agents learn from comparative, trajectory-level feedback rather than numeric rewards. While PbRL has seen rapid empirical and theoretical progress, existing analyses are largely confined to restricted settings and fail to jointly capture the outcome-based and comparison-based nature of preference feedback. We prove that under a broad \emph{general function approximation} framework, PbRL admits a $\sqrt{T}$ regret guarantee. In particular, we introduce a simple and provably efficient algorithm, \emph{Recursive Trajectory-based Preference Q-Learning} (RTPQ), and establish its regret bound while explicitly accounting for the trajectory-level and comparative structure of preferences. Our analysis is characterized by a new complexity measure, the \emph{Dual Episodic Eluder Dimension} (DEED), which quantifies the intrinsic difficulty of PbRL. We show that for linear MDPs, the DEED scales as $\mathcal{O}(dH)$, yielding a regret bound of $\tilde{\mathcal{O}}(dH\sqrt{T}\max(H^{3/2},\,1/\kappa))$, where $\kappa$ is a problem-dependent constant. This bound is near-optimal up to horizon- and problem-dependent factors when compared to standard reward-based linear MDPs. In addition, our framework recovers the best-known regret bounds in the special cases of dueling bandits and standard outcome-based reinforcement learning. Overall, our results provide a general regret guarantee for PbRL with outcome-based preference feedback and broad function approximation.

In modern software development, particularly in emerging ``vibe coding'' paradigms, project implementation increasingly begins with visual interactions between users and AI coding assistants, where system architectures are communicated through visual designs before coding. This visual-first approach necessitates AI systems capable of interpreting diagrams across multiple programming languages. However, the development of such systems is severely hindered by the lack of large-scale multimodal training data and evaluation benchmarks. To address these limitations, we present M²C-INSTRUCT, a comprehensive multilingual multimodal instruction-tuning dataset containing over 13.1M samples across 50+ programming languages, designed for visual understanding and diagram interpretation in code generation tasks. We validate our dataset by training M²-CODER, a multilingual multimodal software developer that successfully integrates visual design inputs with textual instructions. We also introduce M²EVAL, a novel multilingual evaluation benchmark for multimodal code generation performance. Experiments show our 7B M²-CODER, performs on par with much larger 70B+ models, confirming the quality and effectiveness of our M²C-INSTRUCT. Together, M²C-INSTRUCT, M²-CODER, and M²EVAL provide essential infrastructure for visual-assisted programming in vibe-coding and visual-interactive development workflows.

Traditional 3D visual grounding typically assumes that natural language expressions unambiguously refer to target objects in a 3D scene. However, in practical applications, human instructions are often ambiguous or insufficient, which may lead existing models to associate the query with multiple possible objects, resulting in incorrect results. In this paper, we propose a new task, 3D visual grounding with referential ambiguity, which allows for referential ambiguity in language descriptions, making it more broadly applicable to real-world scenarios. To tackle this task, we propose an interactive grounding framework that performs multi-round question-answer interactions, in which the model actively generates clarifying questions and receives human-provided answers to acquire additional object attributes, spatial relationships, and other contextual information, thereby resolving referential ambiguity and achieving accurate grounding. To support the learning of interactive grounding, we construct a large-scale dataset named AmbiRefer3D, which contains 47,085 samples with 141,255 annotations of question-answer dialogues that capture interactive disambiguation processes, covering 7,316 indoor 3D scenes. Furthermore, we establish multi-round evaluation metrics to measure both disambiguation efficiency and grounding accuracy. The code is available at *https://github.com/yearnallover/AmbiRefer3D*.

Agentic scaffolds have dramatically improved LLM performance on complex, long-horizon tasks, yielding both broad benefits and amplified risks in domains like cybersecurity. Existing benchmarks for AI agents in cybersecurity focus mainly on measuring proficiency–how effectively agents can complete offensive security tasks–but neglect a critical question: when and how should agents refuse harmful requests? We present the first framework for establishing refusal boundaries in offensive security contexts. Our framework defines (1) principled criteria for when tasks should be refused, (2) categories of tasks that warrant refusal, and (3) evaluation methodology for measuring agent robustness under both benign and adversarial conditions. We apply this framework to assess how current LLM-powered agents adhere to appropriate refusal boundaries across a range of web-based offensive security scenarios, finding that 6 of 8 frontier models tested refuse to identify vulnerabilities in real systems 0\% of the time.

Vision-Language Models (VLMs) extend large language models with visual reasoning, but their multimodal design also introduces new, underexplored vulnerabilities. Existing multimodal red-teaming methods largely rely on brittle templates, focus on single-attack settings, and expose only a narrow subset of vulnerabilities. To address these limitations, we introduce VERA-V, a variational inference framework that recasts multimodal jailbreak discovery as learning a joint posterior distribution over paired text-image prompts. This probabilistic view captures complex cross-modal interactions, enabling stealthy, coordinated adversarial inputs that bypass model guardrails. We train a lightweight attacker to approximate the posterior, allowing efficient sampling of diverse jailbreaks and providing distributional insights into vulnerabilities. VERA-V further integrates three complementary strategies: (i) typography-based text prompts that embed harmful cues, (ii) diffusion-based image synthesis that introduces adversarial signals, and (iii) structured distractors to fragment VLM attention. Experiments on HarmBench and HADES benchmarks show that VERA-V consistently outperforms state-of-the-art baselines on both open-source and frontier VLMs, achieving up to 53.75\% higher attack success rate (ASR) over the best baseline on GPT-4o. We include the code on the project page available here: https://github.com/kxwhiowo/VERA-V

Ensuring fairness in matching algorithms is a key challenge in allocating scarce resources and positions. Focusing on Optimal Transport (OT), we introduce a novel notion of group fairness requiring that the probability of matching two individuals from any two given groups in the OT plan satisfies a predefined target. We first propose a modified Sinkhorn algorithm to compute perfectly fair transport plans efficiently. Since exact fairness can significantly degrade matching quality in practice, we then develop two relaxation strategies. The first one involves solving a penalized OT problem, for which we derive novel finite-sample complexity guarantees. Our second strategy leverages bilevel optimization to learn a ground cost that induces a fair OT solution, and we establish a bound on the deviation of fairness when matching unseen data. Finally, we present empirical results illustrating the performance of our approaches and the trade-off between fairness and transport cost.