ICML 2026 Papers

Characterizing continuous-variable (CV) Hamiltonians can be formulated as Hamiltonian learning under quantum measurement constraints: finite operator coefficients are inferred from noisy measurement outcomes obtained by probing an infinite-dimensional system. Existing Heisenberg-limited CV protocols are often limited to low-order structures, vulnerable to noise, or unresolved for generic multi-mode settings. We introduce Displacement-Random Unitary Transformation (D-RUT), an active data acquisition protocol with pre-specified probes and number-preserving transformations that reduce finite-order bosonic Hamiltonian learning to polynomial recovery. We prove Heisenberg-limited total evolution time with robustness to state preparation and measurement (SPAM) errors, and develop hierarchical multi-mode coefficient recovery with better statistical efficiency than simultaneous estimation. We also extend D-RUT to first-quantized Hamiltonian coefficient learning, and numerical experiments on single- and multi-mode nonlinear systems validate the predicted Heisenberg scaling.

Time series data is fundamental to decision-making across many domains including healthcare, finance, power systems, and logistics. However, analyzing this data correctly often requires incorporating unstructured contextual information, answering domain-specific questions, and generating natural language explanations – capabilities that traditional time series models lack. While Large Language Models (LLMs) excel at contextual reasoning and knowledge integration, they struggle with numerical time series due to inefficient text-based representations and limited exposure to numerical data during pretraining. We address this gap by augmenting an LLM with specialized time series perception through a patch-based encoder-decoder architecture. We train this time series-augmented LLM (TsLLM) on a large corpus of over 25 billion tokens of interleaved time series and text spanning diverse tasks: forecasting with contextual information, question-answering, anomaly detection, classification, report generation, and more, all unified as autoregressive next token prediction. This training enables TsLLM to leverage both its natural language skills and newly acquired understanding of numerical time series signals. While not designed to surpass specialized models on traditional benchmarks, TsLLM demonstrates strong performance on tasks requiring the integration of time series analysis with natural language – capabilities that conventional approaches cannot provide. It also exhibits strong zero-shot and few-shot performance, showing it can adapt to new data without additional training.

Graph Edit Distance (GED), which aims to find an edit path with minimum number of edit operations to transform one graph into another, is a fundamental NP-hard problem and a widely used graph similarity measure. Recent matching-based hybrid approaches have demonstrated better scalability than A* search-based hybrids by reformulating GED as a graph matching problem. In these methods, a neural network predicts a single deterministic node matching matrix, from which top-$k$ node mappings are extracted iteratively to derive candidate edit paths. However, these methods often suffer from highly correlated candidates that easily lead to suboptimal solutions, while the iterative extraction becomes inefficient for large $k$. In this paper, we propose DiffGED, the first generative approach for GED computation. Specifically, we formulate the graph matching problem as a generative task, and employ a diffusion-based model to generate multiple diverse node matching matrices simultaneously, from which diverse node mappings can be efficiently extracted. The generative diversity introduced by the diffusion process enables DiffGED to avoid suboptimal solutions and achieve superior solution quality close to the exact solution. Experiments on real-world datasets show that DiffGED generates multiple diverse edit paths with accuracy comparable to exact solutions, while running faster than existing hybrid approaches.

The evaluation of large language models relies heavily on standardized benchmarks. These benchmarks provide useful aggregated metrics, but can obscure (i) particular sub-areas where the models are weak ("model gaps") and (ii) imbalanced coverage in the benchmarks themselves ("benchmark gaps"). To automatically uncover both types of gaps, we propose a simple new method using concept activations from sparse autoencoders, to identify fine-grained gaps on a per-concept basis. The method also benefits from grounding evaluation in the model's internal representations, as well as easy comparison across benchmarks. We applied the method to five popular open-source models and more than a dozen benchmarks, as illustrative examples. As validation of the approach, we found that our automatic, unsupervised method was able to recover model gaps that have been previously documented in the literature (e.g. relating to sycophancy), in addition to identifying novel model gaps. We were also able to automatically uncover benchmark gaps: core concepts that should fall within the scope of a given benchmark. Our "competency gaps" method can be used to complement existing benchmarks, by providing a concept-level decomposition of model behavior, and by helping benchmark developers iterate upon benchmark design. Code is available at https://competency-gaps.github.io.

Non-monotonic sequence generation methods, such as masked diffusion models, provide a flexible alternative to left-to-right autoregressive modeling by allowing tokens to be generated in non-fixed and prescribed orders. Despite their practical advantages, most existing non-monotonic models are order-agnostic and rely on a fixed-length grid, limiting their ability to support variable-length generation and adaptive insertion order. In this work, we introduce a probabilistic framework for learning insertion order in variable-length insertion models. We formalize a bijective correspondence between insertion trajectories and permutations, which enables an exact reparameterization of the data likelihood as a sum over permutations. Building on this result, we propose the Insertion Process (IP), a stochastic generative model that jointly learns where to insert, what to insert, and when to terminate, trained via permutation-based variational inference. Unlike prior fixed-canvas approaches, IP natively supports variable-length generation and learns data-driven preferences over insertion orders. Experiments on goal-conditioned planning and molecular string generation demonstrate that learning insertion order improves both modeling quality and generalization in domains without a canonical left-to-right structure.

Large language models (LLMs) have achieved remarkable breakthroughs across various applications. However, their architectures remain inefficient in pretraining due to two main limitations: (i) self-attention lacks an explicit inductive bias for locality, leading to redundant modeling of sequence-internal local information; (ii) mixture-of-experts (MoE) implicitly couples knowledge storage with computational pathways, hindering flexible access to sequence-external global knowledge. To overcome these limitations, we propose LoKiFormer, a novel LLM architecture that augments the standard decoder with two dedicated modules: 1) Local Fusion Attention (LFA), which incorporates a convolutional fusion to attention, explicitly capturing local patterns and allowing the attention to operate on more informative representations; 2) Knowledge Memory Module (KMM), which introduces a parametric key–value memory that explicitly stores global knowledge in addressable slots, decoupling storage from computation and enabling direct knowledge retrieval. Together, these modules enable LoKiFormer to achieve more efficient and effective integration of information at both levels. Experimental results show that LoKiFormer converges 1.33x faster in pre-training than baseline models, underscoring its superiority over existing LLM architectures.

Existing human attention (saliency) modeling methods persist as highly fragmented across modalities, scenes, and task formulations. Consequently, even with increasing model capacity and data scale, current models predominantly remain scene-dependent and task-specific, failing to practically generalize in real-world applications. To address the fundamental limitations, we present the Attend to Anything Model (AAM), a multi-modal foundation model that unifies attention modeling across various image, video, and audio-visual tasks and scenes. AAM reformulates attention as a cognitive entailment relationship organized in a general-to-specific hierarchy, implemented through language prompts with hierarchical embeddings in hyperbolic space. Furthermore, to unify static image and dynamic video attention, we adopt a fluid-dynamics perspective, formulating video-frame attention as a diffusive temporal evolution governed by the Fokker--Planck equation. Extensive experiments on 16 benchmarks demonstrate that AAM consistently outperforms state-of-the-art methods by an average of 6\% across various scenarios, while achieving approximately a 4$\times$ speedup in video inference. Overall, these results demonstrate that AAM provides a principled foundation for future research on attention and saliency-related tasks. The dataset and code will be available at \url{https://github.com/wz-zhao/Attend-to-Anything}.

Despite rapid progress in generative 3D creation, producing high-fidelity 3D face assets from a single image remains challenging, as it requires both identity-critical facial micro-structures and fine-grained view-consistent textures. To address this, we present a two-stage framework named **SAMT** for monocular 3D avatar generation and texture synthesis. Specifically, a latent 3D diffusion model for facial mesh generation is pretrained and then further adapted to generate high-quality facial geometry through large-scale domain-specific finetuning on 35K curated 3D avatar models. Subsequently, the generated facial mesh is textured through a multi-view-aware texturing strategy. It incorporates multi-view facial priors along with the mesh geometry to guide a 2D texturing diffusion, enabling cross-view consistent and mesh-aligned texture synthesis. Extensive experiments demonstrate that SAMT improves over existing baselines by producing more coherent facial geometry together with more fine-grained and view-consistent textures. Project page is available at https://github.com/muyuWang/SAMT.

The limited transferability of adversarial attacks on Vision-Language Models (VLMs) stems from their failure to navigate model-specific safety alignments, where superficial perturbations exploit surrogate-specific artifacts rather than shared safety-critical features. We reveal through linear probing that safety-related representations are concentrated within specific intermediate neuronal circuits, which act as localized defense bottlenecks that can be disentangled from transferable features. To overcome this barrier, we propose the Safety Circuit Intervention Attack (SCIA), a framework that surgically steers internal representations to bypass these localized safety mechanisms. SCIA employs a dual-objective steering strategy that suppresses the defensive circuit encoding safety features while amplifying the transferable circuit capturing model-agnostic representations, effectively decoupling adversarial patterns from surrogate-specific safety behaviors. Furthermore, we incorporate contrastive semantic steering and spectral smoothness regularization to guide optimization toward compliant semantic regions while producing visually coherent perturbations. Experimental results demonstrate that SCIA significantly outperforms state-of-the-art methods in bypassing unseen black-box VLMs.

Autonomous data science has been a long-standing challenge, and is now becoming feasible with the emergence of powerful large language models (LLMs). Recent workflow-based data agents have shown promising results on specific data tasks but remain fundamentally limited in achieving full autonomy due to their reliance on predefined workflows. In this paper, we introduce DeepAnalyze, the first agentic LLM for autonomous data science, capable of automatically completing the end-to-end data science from raw data to research reports. To tackle high-complexity data science tasks, we propose a curriculum-based agentic training paradigm that emulates the learning trajectory of human data scientists, enabling LLMs to progressively acquire and integrate multiple capabilities in real-world environments. Accordingly, we contribute a data-grounded trajectory synthesis framework to constructs high-quality data science training data. Through training in real-world environment, DeepAnalyze learns to perform a broad spectrum of data tasks, ranging from data question answering to open-ended data research. Experiments on 13 benchmarks demonstrate that, with only 8B parameters, DeepAnalyze outperforms workflow-based agents built on advanced proprietary LLMs. DeepAnalyze is fully open-sourced, paving the way toward autonomous data science.

Reinforcement learning (RL) struggles to scale to large, combinatorial action spaces common in many real-world problems. This paper introduces a novel framework for training discrete diffusion models as highly effective policies in these complex settings. Our key innovation is an efficient online training process that ensures stable and effective policy improvement and . By leveraging policy mirror descent (PMD) to define an ideal, regularized target policy distribution, we frame the policy update as a distributional matching problem, training the expressive diffusion model to replicate this stable target. This decoupled approach stabilizes learning and significantly enhances training performance. Our method achieves state-of-the-art results and superior sample efficiency across a diverse set of challenging combinatorial benchmarks, including DNA sequence generation, RL with macro-actions, and multi-agent systems. Experiments demonstrate that our diffusion policies attain comparable or superior performance compared to other baselines. Crucially, our extensive empirical analysis reveals a key trade-off: FKL demonstrates superior sample efficiency and faster initial convergence, whereas RKL ensures stable training and higher asymptotic performance on challenging tasks.

Recent multimodal large language models have demonstrated strong reasoning ability, yet their reliability as automated evaluators remains limited by a critical weakness: when visual evidence conflicts with textual cues, MLLM judges tend to reward plausible narratives over perceptually correct answers. We identify and systematically analyze this phenomenon, which we term \textit{Perceptual Judgment Bias}. Through controlled visual perturbations, existing multimodal judges frequently anchor on the response text instead of their own visual perception, leading to inconsistent and non-verifiable evaluations. To address this issue, we introduce the \textit{Perceptually Perturbed Judgment Dataset}, which constructs minimally edited counterfactual responses that isolate perceptual errors and enable verifiable supervision. Building on this dataset, we develop a unified training framework that combines a structured GRPO-based reward with a batch-ranking objective, achieving coherent global ordering without explicit pairwise labels. Experiments across diverse MLLM-as-a-Judge benchmarks show that our approach substantially improves perceptual fidelity, ranking coherence, and alignment with human evaluation. Our results establish a scalable and generalizable pathway for training multimodal judges that are perceptually grounded, interpretable, and robust to visual–reasoning conflicts.

Looped Language Models (LoopLMs) enable efficient latent reasoning through depth recurrence, yet exhibit unreliable test-time scaling behavior: performance often peaks at a certain iteration depth and then collapses with further recurrence. Through latent dynamics analysis, we find an inherent trade-off between stability and effectiveness in existing architectures and strategies. By conceptualizing reasoning as uncertainty reduction, we propose that convergence toward stable fixed points while preserving effectiveness represents a promising way. To this end, we propose STARS (STAbility-driven Recurrent Scaling), a training framework that constrains latent states to approach asymptotically stable fixed points. This is realized via efficient Jacobian Spectral Radius Regularization with random loop sampling, enabling STARS to maximize effectiveness while ensuring rigorous stability. Experiments on arithmetic tasks show that STARS achieves reliable test-time scaling, and on complex mathematical reasoning it substantially mitigates performance degradation as recurrence depth increases while also improving peak performance.

While deep learning-based weather forecasting paradigms have made significant strides, addressing extreme weather diagnostics remains a formidable challenge. This gap exists primarily because the diagnostic process demands sophisticated multi-step logical reasoning, dynamic tool invocation, and expert-level prior judgment. Although agents possess inherent advantages in task decomposition and autonomous execution, current architectures are still hampered by critical bottlenecks: inadequate expert knowledge integration, a lack of professional-grade iterative reasoning loops, and the absence of fine-grained validation and evaluation systems for complex workflows under extreme conditions. To this end, we propose HVR-Met, a multi-agent meteorological diagnostic system characterized by the deep integration of expert knowledge. Its central innovation is the ``Hypothesis-Verification-Replanning'' closed-loop mechanism, which facilitates sophisticated iterative reasoning for anomalous meteorological signals during extreme weather events. To bridge gaps within existing evaluation frameworks, we further introduce a novel benchmark focused on atomic-level sub-tasks. Experimental evidence demonstrates that the system excels in complex diagnostic scenarios.

Visual agents employ external visual tools within visual chains of thought to incorporate fine-grained evidence. While prior work has mainly studied these tools in visual search tasks, their role in more complex visual reasoning remains underexplored. In this paper, we move beyond simple visual search tasks to investigate more challenging tasks, including 3D spatial reasoning and medical visual question answering, where agents must integrate tool-acquired local evidence with the global context. We identify a \emph{tool-use collapse phenomenon}: models progressively stop using tools while still achieving higher task accuracy. Moreover, we observe a clear asymmetry: (i) completely eliminating tool use degrades performance, whereas (ii) incentivizing tool use yields only marginal gains despite substantially increasing usage. We find that vanilla training and tool-use encouragement both reduce rollout diversity, explaining why higher tool use does not yield stronger reasoning performance. Motivated by these findings, we add an entropy regularization term to encourage diverse rollout exploration, achieving the best performance despite gradually declining tool usage. Overall, our findings suggest a training-time view of tools as scaffolding, where broader exploration over language generation and visual tool invocation improves reasoning despite tool-use collapse. Project page: https://scaffolded-exploration.github.io

Despite recent algorithmic advances, we still lack principled ways to leverage the well-documented rescaling symmetries in ReLU neural network parameters. While two properly rescaled weights implement the same function, the training dynamics can be dramatically different. To offer a fresh perspective on exploiting this phenomenon, we build on the recent path-lifting framework, which provides a compact factorization of ReLU networks. We introduce a geometrically motivated criterion to rescale neural network parameters which minimization leads to a conditioning strategy that aligns a kernel in the path-lifting space with a chosen reference. We derive an efficient algorithm to perform this alignment. In the context of random network initialization, we analyze how the architecture and the initialization scale jointly impact the output of the proposed method. Numerical experiments illustrate its potential to speed up training.

Parameter-free stochastic optimization aims to design algorithms that are agnostic to the underlying problem parameters while still achieving convergence rates competitive with optimally tuned methods. While some parameter-free methods do not require the specific values of the problem parameters, they still rely on prior knowledge, such as the lower or upper bounds of them. We refer to such methods as "partially parameter-free". In this work, we target achieving "*fully* parameter-free" methods, i.e., the algorithmic inputs do not need to satisfy any *unverifiable* condition related to the true problem parameters. We propose a powerful and general *grid search* framework, named GRASP, with a novel *self-bounding* analysis technique that effectively determines the search ranges of parameters, in contrast to previous work. Our method demonstrates generality in: (i) the non-convex case, where we propose a fully parameter-free method that achieves near-optimal convergence rate, up to logarithmic factors; (ii) the convex case, where our parameter-free methods are competitive with strong performance in terms of acceleration and universality. Finally, we contribute a sharper guarantee for the model ensemble, a final step of the grid search framework, under interpolated variance characterization.

Reinforcement learning with verifiable rewards has shown notable effectiveness in enhancing large language models (LLMs) reasoning performance, especially in mathematics tasks. However, such improvements often come with reduced outcome diversity, where the model concentrates probability mass on a narrow set of solutions. Motivated by diminishing-returns principles, we introduce a set level diversity objective defined over sampled trajectories using kernelized similarity. Our approach derives a leave-one-out marginal contribution for each sampled trajectory and integrates this objective as a plug-in advantage shaping term for policy optimization. We further investigate the contribution of a single trajectory to language model diversity within a distribution perturbation framework. This analysis theoretically confirms a monotonicity property, proving that rarer trajectories yield consistently higher marginal contributions to the global diversity. Extensive experiments across a range of model scales demonstrate the effectiveness of our proposed algorithm, consistently outperforming strong baselines in both Pass@1 and Pass@K across various benchmarks.

Test-Time Adaptation (TTA) empowers pre-trained models to adapt online to distribution shifts during inference, but such online updates often become unstable in long-horizon deployments. Prevailing approaches attribute this failure to error accumulation from noisy pseudo-labels, relying on heuristics to gate samples used for updates. We argue that this statistical view is insufficient: the problem lies not only in sample quality but also in the directionality of gradients. In this work, we identify a geometric failure mode termed manifold erosion. Through spectral analysis, we find that reliable gradients concentrate in a stable low-rank subspace, while gradients from confident mispredictions are high-rank yet exhibit a persistent directional leakage into this protected subspace. This leakage can accumulate coherently and gradually erode core representations, eventually leading to collapse. To address this, we propose Manifold-Aware Gradient Projection (MGP), a geometric intervention that tracks the dominant subspace online and projects gradients onto its orthogonal complement. By blocking the leakage path, MGP decouples stability from plasticity. Extensive experiments on diverse TTA benchmarks demonstrate its long-horizon stability, whereas prior methods often fail.