ICML 2026 Papers

Incomplete multi-view clustering (IMVC) aims to uncover shared clustering structures from heterogeneous views with partial observations. Recently, existing generative IMVC methods have made significant progress in this field; however, they still remain limited in two aspects. On the one hand, they rely on weak cross-view signals, resulting in unstable latent recovery when facing missing data. On the other hand, they overlook stable cross-view neighborhood structures, leading to weak structural constraint. To address these limitations, we propose neighborhood-conditioned diffusion for incomplete multi-view clustering (IMVC-NCD), which achieves robust latent completion. Our method learns compact view-specific latent representations and constructs a unified conditioning vector by aggregating stable local neighborhood structures from available views while encoding missingness states, providing reliable guidance for diffusion-based denoising. With neighborhood-level conditioning, IMVC-NCD produces semantically aligned and view-consistent latent representations that are well suited for clustering, even under high missing-view ratios. Extensive experiments on four benchmark datasets demonstrate the effectiveness and robustness of our method compared with state-of-the-art IMVC approaches. Our code is available at https://github.com/zgh1115/IMVC-NCD.

We study infinite-horizon discounted Markov decision processes (DMDPs) under a generative model. Motivated by the Algorithms with Advice framework (Mitzenmacher and Vassilvitskii, 2022), we propose a novel framework to investigate how black-box predictions of the transition matrix can enhance sample efficiency in solving DMDPs and improve sample complexity bounds. We focus on DMDPs with $N$ state–action pairs and discount factor $\gamma$. We first provide an impossibility result showing that, in the presence of predictions with unknown accuracy, no sampling policy can compute an $\epsilon$-optimal policy with a sample complexity better than $\tilde{O}((1-\gamma)^{-3} N \epsilon^{-2})$, which matches the state-of-the-art minimax sample complexity bound without prediction. In complement, we design an algorithm based on minimax optimization techniques that leverages predictions of the transition matrix without requiring knowledge of the prediction error. Our algorithm achieves a sample complexity bound that depends on the prediction error and is uniformly better than $\tilde{O}((1-\gamma)^{-4} N \epsilon^{-2})$, the previous best result derived from convex optimization methods. In some cases, our bound even improves upon the state-of-the-art $\tilde{O}((1-\gamma)^{-3} N \epsilon^{-2})$, despite not having access to the prediction quality.

Optimizing maintenance strategies for large-scale infrastructure is a critical sequential decision-making problem. While Reinforcement Learning (RL) offers a theoretical framework for such problems, practical deployment necessitates offline constrained RL—learning policies solely from static historical datasets under rigid budgetary limits without dangerous on-policy exploration. However, current research is hindered by benchmarks that fail to capture the confluence of distributional shift and hard constraints typical of real-world assets. We introduce InfraRL, a high-fidelity benchmark that uses bridge maintenance as a rigorous testbed for general infrastructure asset management challenges. Constructed from the U.S. National Bridge Inventory, InfraRL defines a rigorous offline task for optimizing maintenance strategies under hard budgetary constraints. We benchmark a diverse suite of baselines, ranging from industry-standard heuristics to single-agent, multi-agent, planning-based, and constrained offline RL methods. Through a comprehensive evaluation protocol, we analyze performance across structural utility, constraint adherence, and behavioral fidelity, revealing critical trade-offs between safety and long-term efficiency. Our code and data are available at https://github.com/BriSky-2021/InfraRL.

Neural networks, particularly message-passing neural networks (MPNNs), are increasingly used as heuristics for hard combinatorial optimization problems. Yet many learning-based methods rely on supervision, reinforcement learning, or gradient estimators, causing high computational cost, unstable training, or limited guarantees. Classical approximation algorithms provide worst-case guarantees but are non-differentiable and cannot adapt to structure in natural input distributions. We study this tradeoff through Uniform Facility Location (UniFL), a problem with applications in clustering, summarization, logistics, and supply chains. We propose a fully differentiable MPNN that incorporates approximation-algorithmic principles without solver supervision or discrete relaxations. The model has provable approximation guarantees and empirically improves on standard approximation algorithms, narrowing the gap to integer linear programming.

Multi-hop reasoning for question answering (QA) plays a critical role in retrieval-augmented generation (RAG) for large language models (LLMs). Based on inherent relation-dependency and reasoning patterns, it is categorized into parallel fact-verification (simultaneously verifying independent sub-questions) and chained reasoning (sequential multi-step inference). Existing approaches adopt either LLM-based fact verification or KG path-based chain construction, failing to handle both categories well: the former underperforms on chained reasoning, while the latter suffers from redundant paths in parallel tasks. Inspired by the Dual Process Theory in cognitive science and Stanovich’s Cognitive Misers Theory, we propose an effective multi-hop QA framework DTKG (Dual-Track Knowledge Graph) through building a two-stage pipeline: i) Classification Stage (dynamic question categorization via few-shot prompting, emulating "unconscious processing"); and ii) Branch Processing Stage (tailored reasoning paths, emulating "conscious processing"). Multi-facet experiments on six datasets show DTKG achieves 5.0\%-29.5\% performance improvement. The code is available at https://anonymous.4open.science/r/DTKG-621F

Validating autonomous driving systems requires diverse scenarios, yet real-world data collection is biased and costly. Editing existing driving logs offers a scalable solution, but simultaneously editing objects and ego-trajectory—termed unified editing—remains challenging. Current methods face an inherent dilemma: generative flexibility for object editing and physical precision for trajectory control. To address this, we introduce SceneDirector, a diffusion-based framework that bridges explicit geometry and generative priors. For explicit geometry, we leverage LiDAR-guided depth completion to construct dense scene geometry and integrate editable 3D assets to form a Unified Geometric Scaffold, providing rigorous structural guidance for unified editing. To leverage generative priors, we encode the source video into a Static Texture Bank to provide rich appearance context. Our proposed Mask-Gated Reference Attention bridges these modalities. Guided by a geometric uncertainty metric, this mechanism dynamically regulates the interaction between the scaffold and the bank—preserving reliable geometry while adaptively injecting textures for semantic refinement. Extensive evaluations demonstrate that SceneDirector outperforms state-of-the-art methods in both controllability and visual quality.

Vision–Language–Action (VLA) models enable general-purpose robotic control via large-scale multimodal pretraining, yet their effectiveness under few-shot imitation learning remains limited. We conduct a systematic stress test of state-of-the-art VLA models and show that performance degrades sharply as demonstrations are reduced, revealing a key weakness of existing adaptation strategies. To address this, we introduce FOCA, a future-oriented conditioning framework for data-efficient VLA adaptation. FOCA combines explicit prediction of task-grounded future interaction embeddings with implicit alignment to future goal observations, enabling long-horizon reasoning in latent space without pixel-level prediction. This formulation naturally supports action-free co-training with synthetic videos from video world models and can be interpreted as learning a future-conditioned value-like representation. Extensive experiments demonstrate FOCA achieves 95.7\% success with 20 demonstrations on LIBERO, improves 7–12\% on RoboCasa, and delivers up to 26\% absolute gains on real robots, establishing a new state of the art in few-shot VLA adaptation.

Agentic systems have recently become the dominant paradigm for formal theorem proving, achieving strong performance by coordinating multiple models and tools. However, existing approaches often rely on task-specific pipelines and trained formal provers, limiting their flexibility and reproducibility. In this paper, we propose the paradigm that directly uses a general coding agent as a formal math reasoner. This paradigm is motivated by (1) A general coding agent provides a natural interface for diverse reasoning tasks beyond proving, (2) Performance can be improved by simply replacing the underlying base model, without training., and (3) MCP enables flexible extension and autonomous calling of specialized tools, avoiding complex design. Based on this paradigm, we introduce \textbf{Numina-Lean-Agent}, which combines Claude Code with Numina-Lean-MCP to enable autonomous interaction with Lean, retrieval of relevant theorems, informal proving and auxiliary reasoning tools. Using Claude Opus 4.5 as the base model, Numina-Lean-Agent solves all problems in Putnam 2025 (12/12), matching the best closed-source system. Beyond benchmark evaluation, we further demonstrate its generality by interacting with mathematicians to successfully formalize the Brascamp–Lieb theorem.

Multimodal Large Language Models (MLLMs) have revolutionized GUI automation, yet their efficacy is largely established on idealized, single-layer interfaces. This paper identifies a critical reliability gap: state-of-the-art agents face distinct robustness challenges in real-world desktop environments characterized by multi-window stacking, occlusion, and visual clutter. To address this, we introduce WinDeskGround, a novel benchmark and synthesis framework tailored for evaluating GUI grounding robustness. Unlike static datasets, our framework parametrically generates complex desktop scenarios by controlling window occlusion, layout density, and semantic similarity, thereby simulating the distribution shifts of authentic workflows. We construct a diverse meta-dataset of 1,356 high-fidelity instruction-target pairs and conduct comprehensive evaluations of five leading MLLMs. Our results demonstrate that while top-tier agents excel in simplified settings, their accuracy declines under partial occlusion. WinDeskGround provides a valuable benchmark to facilitate the assessment and advancement of GUI agent robustness in realistic environments.

Masked diffusion language models enable parallel token decoding, providing a promising alternative to the sequential nature of autoregressive generation. However, their iterative denoising process remains computationally expensive because it repeatedly processes the entire sequence at every step. We observe that across these diffusion steps, most token representations remain stable; only a small subset, which we term *salient tokens*, contributes meaningfully to the next update. Leveraging this temporal sparsity, we present **DyLLM**, a training-free inference framework that accelerates decoding by selectively computing only these salient tokens. DyLLM identifies saliency by measuring the cosine similarity of attention contexts between adjacent denoising steps. It recomputes feed-forward and attention operations only for salient tokens while reusing cached activations for the remainder. Across diverse reasoning and code-generation benchmarks, DyLLM achieves up to 9.6 $\times$ higher throughput while largely preserving the baseline accuracy of representative open-source diffusion LLMs, LLaDA and Dream.

While recent training-free video anomaly detection (VAD) methods offer advantages such as interpretability and ease of deployment, they often suffer from computational inefficiency due to complex memory retrieval mechanisms or high-latency visual-language models (VLMs). To address this issue, we propose PRISM (Parameter-less Recognition Based on Intrinsic Statistical Modeling), a novel framework for efficient open-set anomaly detection with minimal computational cost. Built on a pre-trained multimodal embedding model, PRISM introduces differential amplification and whitening mechanisms to statistically suppress common-mode background noise in the embedding space, thereby improving the signal-to-noise ratio of anomalous events. Extensive experiments on three widely datasets demonstrate that PRISM achieves state-of-the-art performance among training-free methods while maintaining real-time inference capability. Furthermore, our statistical analysis offers a complementary perspective on why training-free methods may suffer from lower Average Precision (AP) on complex datasets such as XD-Violence.Code is released at https://github.com/ytC2026/ICML2026-PRISM.

Static fine-tuning paradigms impose rigid structural constraints on foundation models like the Segment Anything Model 2 (SAM2), limiting their adaptability to the varying complexity of specialized downstream tasks. To overcome this limitation, we propose **ACO-MoE-LoRA**, a dynamic framework that introduces an "Evolving-while-Training" strategy by synergizing Ant Colony Optimization (ACO) with a Latent Space Mixture-of-Experts (MoE) architecture. Central to our method is the ACO-ConvLoRA module, which employs a pheromone-guided routing mechanism to actively govern expert selection and topological evolution. By formulating expert assignment as an evolutionary pathfinding problem, this module effectively mitigates the standard routing collapse issue and enables elastic adjustment of LoRA ranks via weight slicing, bridging discrete structural search with continuous parameter training. Extensive experiments across 16 challenging datasets demonstrate that our framework consistently outperforms leading static adapters, while effectively addressing the local optimality limitations of recent dynamic heuristics. This work presents a self-organizing solution that harmonizes swarm intelligence with gradient optimization for efficiently adapting foundation models to specialized domains.

Graph Contrastive Learning (GCL) is a powerful self-supervised learning framework that performs data augmentation through graph perturbations, with growing applications in the analysis of biological networks such as Gene Regulatory Networks (GRNs). The artificial perturbations commonly used in GCL, such as node dropping, induce structural changes that can diverge from biological reality. This concern has contributed to a broader trend in graph representation learning toward augmentation-free methods, which view such structural changes as problematic and should be avoided. However, this trend overlooks the fundamental insight that structural changes from biologically meaningful perturbations are not a problem to be avoided, but rather a rich source of information, thereby ignoring the valuable opportunity to leverage data from real biological experiments. Motivated by this insight, we propose SupGCL (Supervised Graph Contrastive Learning), a new GCL method for GRNs that directly incorporates biological perturbations from gene knockdown experiments as supervision. SupGCL is a probabilistic formulation that continuously generalizes conventional GCL, linking artificial augmentations with real perturbations measured in knockdown experiments, and using the latter as explicit supervision. On patient-derived GRNs from three cancer types, we train GRN representations with SupGCL and evaluate it in two regimes: (i) embedding space analysis, where it yields clearer disease-subtype structure and improves clustering, and (ii) task-specific fine-tuning, where it consistently outperforms strong graph representation learning baselines on 13 downstream tasks spanning gene-level functional annotation and patient-level prediction.

Federated Class-Incremental Learning (FCIL) aims to continually expand a model’s recognition capacity in a distributed environment, enabling it to learn new classes while retaining knowledge of previously seen ones. Exemplar replay has emerged as a promising strategy owing to its simplicity and effectiveness. Existing methods either select exemplars based on local dynamics or construct global feature spaces to identify representative samples. However, they face inherent challenges in striking a balance between effectiveness and privacy. To address this issue, this paper proposes a Cross-view Lewis weIght Fusion method for exemplar replay in FCIL, termed CLIF, which fuses multi-view importance scores to guide representative sample selection under federated settings. Specifically, CLIF consists of two main modules: 1) the cross-view Lewis weight fusion module computes and integrates Lewis weights from multiple feature perspectives to achieve consistent importance estimation, ensuring that the selected samples better reflect the global data distribution and thus enhancing the representativeness of the replay subset. Building on this, 2) the frequency-based weighted training module adjusts the loss contribution of each sample according to its selection frequency across views, which emphasizes the contribution of critical samples. Moreover, we provide a theoretical analysis to guarantee the soundness and effectiveness of CLIF. Extensive experiments on three datasets demonstrate that our method consistently improves baselines by 1%–6%, supporting the above claims.

Despite recent breakthroughs, audio foundation models struggle in processing complex multi-source acoustic scenes. We refer to this challenging domain as audio stories, which can have multiple speakers and background/foreground sound effects. Compared to traditional audio processing tasks, audio stories introduce new layers of semantic, temporal, and physical complexity. To address this challenge, we propose AudioChat, a framework for developing audio foundation models that can generate, edit, and understand audio stories. AudioChat introduces a new paradigm in which LLM-based toolcalling agents simulate interactions between users and the system, and these simulated dialogues are used as training data. We also introduce a novel Audio Transfusion Forcing objective to train the AudioChat model, allowing it to simultaneously decompose high-level instructions via structured chain-of-thought reasoning and perform interactive multi-turn audio understanding/generation. To evaluate generation and editing performance, we develop three new metrics that directly measure task performance instead of relying upon distribution-based scoring. We highly encourage readers to visit our demo to better understand the capabilities of AudioChat: https://audiochat-icml-2026.github.io/.

De novo ligand design is a fundamental task that seeks to generate protein or molecule candidates that can effectively dock with protein receptors and achieve strong binding affinity entirely from scratch. It holds paramount significance for a wide spectrum of biomedical applications. However, most existing studies are constrained by the \textbf{Pseudo De Novo}, \textbf{Limited Docking Modeling}, and \textbf{Inflexible Ligand Type}. To address these issues, we propose MagicDock, a forward-looking framework grounded in the progressive pipeline and differentiable surface modeling. (1) We adopt a well-designed gradient inversion framework. To begin with, general docking knowledge of receptors and ligands is incorporated into the backbone model. Subsequently, the docking knowledge is instantiated as reverse gradient flows by binding prediction, which iteratively guide the de novo generation of ligands. (2) We emphasize differentiable surface modeling in the \textit{generation process}, leveraging learnable 3D point-cloud representations to precisely capture docking details, thereby ensuring that the generated ligands preserve docking validity through interpretable spatial fingerprints. (3) We introduce customized designs for different ligand types and integrate them into a unified gradient inversion framework with flexible triggers, thereby ensuring broad applicability. Moreover, we provide sufficient theoretical guarantees for MagicDock. Extensive experiments across 9 scenarios demonstrate that MagicDock achieves average improvements of 7.0\% and 7.4\% over SOTA baselines specialized for protein or molecule ligand design, respectively.

Molecular representation learning has achieved remarkable progress in molecular property prediction, yet out-of-distribution (OOD) generalization remains challenging. In practice, training data typically cover only a limited portion of the chemical space, causing models to rely on environment-dependent factors that fail to transfer when scaffold structures or functional compositions shift. To address this issue, we propose MoSIR, a framework for learning molecular semantic invariant representation with prototype constraint, which projects entangled molecular embeddings into a learnable semantic prototype space to extract semantic invariant representation while isolating environment-sensitive variations. Building upon this decomposition, we optimize a bi-level min-max objective that introduces representation perturbations to simulate plausible environment shifts and enforce semantic stability. We further provide theoretical guarantees for MoSIR by deriving an OOD generalization bound under distribution shifts. Extensive experiments on multiple molecular OOD benchmarks demonstrate that MoSIR consistently outperforms strong baselines across diverse shift settings, and qualitative analyses confirm that the learned prototypes capture meaningful chemical semantics.

Maximum inner product search (MIPS) is a crucial subroutine in machine learning, requiring identification of database vectors that align most strongly with a given query. We propose amortized MIPS: a learning-based approach that trains neural networks to directly predict MIPS solutions, amortizing the computational cost of search across queries drawn from a known distribution. Our key insight is that the MIPS value function - the maximum inner product as a function of the query - is convex (as the pointwise maximum of linear functions), and its gradient at each query equals the optimal database vector. We explore two complementary architectures: (1) Input Convex Neural Networks (ICNNs) that learn the convex value function and recover the optimal match via gradient computation, and (2) VectorICNNs that directly regress the argmax, bypassing gradient computation entirely at inference time. For ICNNs, we combine score regression with gradient matching losses; for VectorICNNs, we introduce a score consistency loss derived from Euler's theorem for homogeneous functions. We further propose homogenization wrappers that enforce positive 1-homogeneity, theoretically linking function values to gradients. Our experiments on retrieval benchmarks demonstrate that convexity provides an effective inductive bias, with learned potentials achieving high match rates while requiring only a single forward pass at inference. Our code is available at: https://github.com/apple/ml-amips.

For communication-efficient decentralized learning, advanced network (NW) topologies, such as exponential and 1-peer exponential graphs, have been studied under homogeneous communication delays. However, real-world NWs exhibit heterogeneous communication delays, making node assignment optimization crucial for minimizing the Bottleneck Communication Delay (BCD). We propose BTSP-MSR, an approximate method for minimizing BCD on circulant digraphs, including exponential and 1-peer exponential graphs. Leveraging the fact that circulant digraphs can be viewed as a union of (directed) ring graphs, we derive an upper bound on the BCD by combining the ring-graph BCD (BTSP) with a deviation term (MSR). We then construct a solver that sequentially minimizes these two terms. Numerical experiments show that BTSP-MSR consistently reduces BCD across several circulant digraphs with large numbers of nodes. Notably, incorporating the exponential or 1-peer exponential graph enables communication-efficient decentralized learning under heterogeneous delay settings.