ICML 2026 论文列表

Data markets promise to unlock data value by matching data suppliers with ML consumers. However, market design involves addressing intricate challenges, including data pricing, fairness, and robustness. We propose a pragmatic data-augmented AutoML market that seamlessly integrates with existing cloud-based AutoML platforms, such as Google’s Vertex AI. Unlike standard AutoML solutions, our design automatically augments buyer-submitted training data with valuable external datasets, pricing the resulting models based on their measurable performance improvements rather than computational costs as the status quo. Our key innovation is a pricing mechanism grounded in the instrumental value—the marginal model quality improvement—of externally sourced data. This approach bypasses direct dataset pricing complexities and accommodates diverse buyer valuations through menu-based options, thus providing an economically sustainable framework for monetizing external data.

Internet of Things (IoT) systems continuously collect heterogeneous sensing signals from ubiquitous sensors to support intelligent applications such as human activity analysis, emotion monitoring, and environmental perception. These signals are inherently non-stationary and multi-scale, posing unique challenges for standard tokenization techniques. This paper proposes Dywave, a dynamic tokenization framework for IoT sensing signals that constructs compact input representations aligned with intrinsic temporal structures and underlying physical events. Dywave leverages wavelet-based hierarchical decomposition, identifies meaningful temporal boundaries corresponding to underlying semantic events, and adaptively compresses redundant intervals while preserving temporal coherence. Extensive evaluations on five real-world IoT sensing datasets across activity recognition, stress assessment, and nearby object detection demonstrate that Dywave outperforms state-of-the-art methods by up to 12% in accuracy, while improving computational efficiency by reducing input token lengths by up to 75\% across mainstream sequence models. Moreover, Dywave exhibits improved robustness to domain shifts and varying sequence lengths.

Out-of-distribution (OOD) detection requires accurately classifying in-distribution (ID) samples while effectively distinguishing anomalous OOD data. However, existing methodologies predominantly rely on real-valued magnitude features, neglecting the semantic richness embedded in phase information, and often lack a systematic theoretical framework for quantitively modeling uncertainty. To address this dual limitation of incomplete feature representation and insufficient uncertainty modeling, the trustworthy quantum evidence neural network (TrustworthyQENN) is proposed, a novel quantum-inspired framework bridging complex-valued representation learning with generalized quantum evidence theory (GQET). Specifically, supervised complex-valued contrastive learning (SCVCL) is proposed to synchronize amplitude distributions with phase correlations, thereby enforcing high intra-class compactness and inter-class separability for ID data. A quantum evidence generation mechanism based on GQET is subsequently devised, where the OOD state is formally grounded as the quantum empty set within a Hilbert space. Furthermore, the generalized quantum evidential combination rule (GQECR) is leveraged to fuse multi-view evidence, thereby achieving trustworthy inference. Extensive experiments on the MSTAR, EuroSAT, and FUSAR-Ship benchmarks substantiate the superiority of TrustworthyQENN, which achieves a peak AUROC of 95.94\% on the MSTAR dataset while consistently outperforming state-of-the-art methods across all evaluated scenarios.

Autoregressive large language models (LLMs) deliver strong performance but require inherently sequential decoding, leading to high inference latency and poor GPU utilization. Speculative decoding mitigates this bottleneck by using a fast draft model whose outputs are verified in parallel by the target LLM. However, existing methods still rely on *autoregressive drafting*, which remains sequential and constrains practical speedups. Diffusion LLMs offer a promising alternative by enabling parallel generation, but current diffusion models typically underperform compared with autoregressive models. In this paper, we introduce **DFlash**, a speculative decoding framework that employs a lightweight block diffusion model for parallel drafting. We show that speculative decoding provides a natural and effective setting for diffusion models. By generating draft tokens in a single forward pass, DFlash enables efficient drafting, and by conditioning the draft model on context features extracted from the target model, it achieves high-quality drafts with higher acceptance rates. Experiments show that DFlash achieves over 6$\times$ lossless acceleration across a range of models and tasks, delivering up to 2.5$\times$ higher speedup than the state-of-the-art speculative decoding method EAGLE-3.

Lagrangian Relaxation (LR) is a powerful technique for solving large-scale mixed-integer linear programs, particularly those with decomposable structures, such as vehicle routing or unit commitment problems. By relaxing the coupling constraints, LR enables parallel subproblem solving and often yields tighter dual bounds than standard linear programming relaxations, which is crucial for efficient branch-and-bound pruning. While recent empirical work has shown promising results using machine learning to predict these multipliers, a theoretical understanding of such methods remains an open question. In this work, we bridge this gap by analyzing the problem of learning LR through the lens of data-driven algorithm design, i.e., a statistical learning problem over a distribution of problem instances. Our contributions are as follows: first, we derive a generalization bound of $\mathcal{O}(s^{1.5}/\sqrt{N})$ for the learned multipliers, where $s$ is the number of coupling constraints and $N$ is the sample size. Second, we provide a minimax lower-bound of $\Omega(s/\sqrt{N})$, proving that a linear dependency is unavoidable. Third, we constructively close this theoretical gap by proving that stochastic gradient ascent with averaging achieves the minimax optimal rate $\Theta(s/\sqrt{N})$. Finally, we extend our framework to the learning-to-warm-start setting, proving that it achieves a fast, minimax-optimal rate of $\Theta(s/N)$ and establishing a theoretical advantage over direct multiplier prediction.

Compositional generalization is essential for reaching unseen goals under novel contextual variations in offline goal-conditioned reinforcement learning (GCRL), where a generalist goal-reaching agent must be learned from limited data. Most prior approaches pursue this via trajectory stitching over temporally contiguous segments, which limits composing behaviors across varying contexts. To overcome this limitation, we formalize *analogy transduction* as synthesizing new plans by composing task-endogenous analogies with given contexts and propose a novel analogy representation tailored for it. Grounded in our theory, this analogy representation captures what changes under optimal task execution, remains invariant to contextual variations, and is sufficient for optimal goal reaching. We further contend that generalization to unseen analogy-context pairs is a practical obstacle in analogy transduction, and introduce a new approach for offline GCRL that enables analogy transduction beyond seen pairs to unseen combinations. We empirically demonstrate the effectiveness of our approach on OGBench manipulation environments, substantially outperforming prior methods that do not perform analogy transduction.

Defocus deblurring in pathological microscopy remains challenging due to the spatially varying and locally discontinuous nature of optical blur induced by a position-dependent integral imaging process. Existing deep learning methods, constrained by shift-invariance assumptions and limited interpretability, are not well suited to such heterogeneous blur patterns. Neural operators provide a principled alternative by modeling defocus formation directly as an integral operator, offering a new perspective on defocus deblurring. However, most existing neural operator architectures for low-level vision rely on globally parameterized kernels that assume smoothness and stationarity, limiting their ability to model heterogeneous and locally discontinuous blur patterns. To address this limitation, we propose the Discontinuous Galerkin Neural Operator (DGNO), which parameterizes the integral kernel using a discontinuous Galerkin formulation with element-local volume operators and interface numerical fluxes. DGNO provides a principled combination of locality, heterogeneity modeling, and global coherence while preserving the underlying physics of optical image formation. Extensive experiments demonstrate that DGNO surpasses state-of-the-art methods, delivering sharper reconstructions, robust handling of spatially varying blur, and scalable high-resolution performance.

Recent years have seen an explosion of interest in autonomous cyber defence agents trained to defend computer networks using deep reinforcement learning. These agents are typically trained in cyber gym environments using dense, highly engineered reward functions which combine many penalties and incentives for a range of (un)desirable states and costly actions. Dense rewards help alleviate the challenge of exploring complex environments but risk biasing agents towards suboptimal and potentially riskier solutions, a critical issue in complex cyber environments. We thoroughly evaluate the impact of reward function structure on learning and policy behavioural characteristics using a variety of sparse and dense reward functions, two well-established cyber gyms, a range of network sizes, and both policy gradient and value-based RL algorithms. Our evaluation is enabled by a novel ground truth evaluation approach which allows directly comparing between different reward functions, illuminating the nuanced inter-relationships between rewards, action space and the risks of suboptimal policies in cyber environments. Our results show that sparse rewards, provided they are goal aligned and can be encountered frequently, uniquely offer both enhanced training reliability and more effective cyber defence agents with lower-risk policies. Surprisingly, sparse rewards can also yield policies that are better aligned with cyber defender goals and make sparing use of costly defensive actions without explicit reward-based numerical penalties.

DiLoCo is a powerful framework for training large language models (LLMs), enabling larger optimal batch sizes and increased accelerator utilization under networking constraints. However, DiLoCo's performance has been shown to degrade as the number of workers (K) increases (Charles et al., 2025). In this work, we posit that a related but often overlooked factor in DiLoCo’s behavior is the choice of inner optimizer, which shapes the pseudogradient used by the outer optimizer. Given the recent success of Muon relative to AdamW for data parallel (DP) training, we examine how Muon's normalized optimizer steps can affect the pseudogradient's quality. We find that, relative to AdamW, Muon yields more *directionally correct* pseudogradients as the number of workers ($K$) increases. In our experiments pre-training language models, we conduct extensive hyperparameter tuning across 150M, 416M, 914M, 1.76B, and 3.1B models for DiLoCo, MuLoCo, AdamW DP, and Muon DP. Consistently across all scales, we find that with $K\geq1$ workers, MuLoCo (Muon inner optimizer DiLoCo) achieves superior performance to DiLoCo in absolute terms and for $K>2$ it outperforms DiLoCo relative to their data parallel baselines, while being compatible with quantization, streaming, and long synchronization intervals. At $K=1$, we find that MuLoCo can even outperform the data-parallel gold standard while having larger critical batch sizes and faster training times as a result.

Reconstructing hyperspectral images from compressive measurements is challenging due to a fundamental mismatch between locally reliable observations and globally entangled structures induced by spectral dispersion. This study formalizes this issue as a local–global dissonance in representation learning for CASSI systems. To resolve it, we propose a Hierarchical Scale-Reconciling Architecture (HSRA) that enforces local sufficiency and global consistency in a principled, scale-aware manner. HSRA combines multi-kernel token mixing, latent window interactions, and hierarchical multi-granularity spatially shifted attention to progressively reconcile physical constraints across scales. Embedded into a deep unfolding framework as a physically grounded learned prior, Extensive experiments on benchmarks demonstrate that HSRA achieves consistent and significant improvements over state-of-the-art methods.

Deep neural networks achieve impressive results across diverse applications, yet their overconfidence on unseen inputs necessitates reliable epistemic uncertainty modeling. Existing methods for uncertainty modeling face a fundamental dilemma: Bayesian approaches provide principled estimates but remain computationally prohibitive, while efficient second-order predictors lack rigorous connections between their specific objectives and epistemic uncertainty quantification. To resolve this dilemma, we introduce **D**irichlet-**a**pproximated **p**ossibilistic **p**osterior p**r**edictions (DAPPr), a principled framework grounded in possibility theory. We define a possibilistic posterior over parameters, project it to the prediction space via supremum operators, and approximate the projected posterior using learnable Dirichlet possibility functions. This projection-and-approximation strategy yields a simple training objective with closed-form solutions. Despite its simplicity, extensive experiments across diverse benchmarks show that DAPPr achieves competitive or superior uncertainty quantification performance over state-of-the-art second-order predictors while maintaining both principled derivation and computational efficiency.

Collaborative perception enhances environment understanding through multi-agent information sharing, but its performance in real-world scenarios is constrained by heterogeneous sensor modalities and model architectures. Recent protocol-based two-stage methods alleviate this problem by mapping heterogeneous features into a shared protocol space; however, independently trained modality-specific converters often generate modality-specific pseudo-protocol distributions, leading to semantic inconsistency and error accumulation, which is particularly pronounced in scenarios with large modality discrepancies. To address this issue, we propose CauseCollab, a causal unified and modality-agnostic network. CauseCollab formulates representation learning in the protocol space from a causal perspective, explicitly disentangling semantic factors from modality-specific statistical confounders via causal metric learning. Meanwhile, CauseCollab adopts context-guided Unified Converter for heterogeneous modalities to ensure cross-modal semantic consistency. In addition, integrating new modalities only requires training adapters with minimal parameters. Extensive experiments on the OPV2V and DAIR-V2X datasets demonstrate that CauseCollab achieves state-of-the-art performance, with more significant gains in scenarios involving large modality gaps.

Multimodal sentiment analysis aims to infer human emotions by integrating signals from diverse modalities. However, missing modalities are common in real-world applications due to sensor failure, data corruption, or privacy concerns. Existing approaches typically follow two main paradigms: recovery-based and non-recovery-based methods. This dichotomy results in two critical limitations: I) computational inefficiency and semantic inconsistency (recovery-based methods rely on heavy generators that incur prohibitive inference latency and risk semantic drift due to lack of class-level priors); II) lack of instance specificity (non-recovery-based methods rely on static global mappings that fail to capture sample-specific affective cues). To address these gaps, we propose Adaptive Prototype Imputation (API). To mitigate I), we introduce Semantic-anchored Class-Temporal Prototype Estimation (SCOPE) to construct non-trainable prototypes as stable semantic anchors, promoting semantic reliability. To resolve II), we design Directional Instance-Adaptive Affine Modulation (DIAM) to dynamically modulate these anchors via direction-specific affine transformations, capturing instance-unique affective characteristics without generative overhead. Experimental results on CMU-MOSI and CMU-MOSEI demonstrate that API outperforms state-of-the-art baselines, establishing a robust and lightweight prototype-centric paradigm for multimodal sentiment analysis. The code is publicly available at https://github.com/KX-yolo/API.

We investigate which models admit a collapse of the expected information gain (EIG) and its derivative from a doubly intractable to a singly intractable expression. We prove that a sufficient condition is that the posterior distribution belongs to an exponential family (EF) and depends on the experimental design and data only through its natural parameters, and derive corresponding singly intractable and unbiased estimators for the $\operatorname{EIG}$ and its (reparameterized) gradient. We further show that this is achieved when using a likelihood of an analogous form and any arbitrary prior. This is complemented by a theoretical analysis of certain degenerate behaviors that may arise when optimizing the $\operatorname{EIG}$ for EF-modeled experiments. Finally, we empirically demonstrate the benefits of using our singly intractable estimators, showing superior convergence rates, and substantial performance gains for sequential design problems compared to using standard nested estimators.

Epistemic uncertainty quantification (UQ) for deep neural networks (DNNs) is a requirement for safe adoption of AI in mission-critical settings. Several leading methods for UQ linearize DNNs to form Bayesian Generalized Linear Models (GLMs), where epistemic uncertainty is modeled via the predictive posterior distribution. Linearizing around the parameters of the *final connected layer* of a DNN is a commonly used approximation for reducing the computational burden of such GLMs, though it is often believed to come at the cost of degraded performance. In this work, we compare GLMs arising from full-network and last-layer linearization using both theoretical and empirical approaches. We first employ tools from random matrix theory to conduct a theoretical comparison; this analysis reveals no meaningful improvement in the UQ capabilities of full linearization. Coupled with a large-scale empirical evaluation across a range of modern machine learning tasks, we arrive at the following conclusion: a last-layer approximation yields comparable UQ performance while offering substantially improved computational efficiency.

Understanding climate dynamics requires going beyond correlations in observational data to uncover their underlying causal process. Latent drivers, such as atmospheric processes, play a critical role in temporal dynamics, while direct causal influences also exist among geographically proximate observed variables. Traditional Causal Representation Learning (CRL) typically focuses on latent factors but overlooks such observable-to-observable causal relations, limiting its applicability to climate analysis. In this paper, we introduce a unified framework that jointly uncovers (i) causal relations among observed variables and (ii) latent driving forces together with their interactions. We establish conditions under which both the hidden dynamic processes and the causal structure among observed variables are simultaneously identifiable from time-series data. Remarkably, our guarantees hold even in the nonparametric setting, leveraging contextual information to recover latent variables and observable relations. Building on these insights, we propose CaDRe (Causal Discovery and Representation learning), a time-series generative model with structural constraints that integrates CRL and causal discovery. Experiments on synthetic datasets validate our theoretical results. On real-world climate datasets, CaDRe not only delivers competitive forecasting accuracy but also recovers visualized causal graphs aligned with domain expertise, thereby offering interpretable insights into climate systems.

Large language models increasingly generate structured outputs, including citation-grounded summaries, multi-step reasoning chains, and tool-augmented responses, where correctness is inherently compositional: a single flawed claim can invalidate an otherwise accurate response. Existing certification methods treat outputs as atomic units, forcing a binary choice between unsafe acceptance and wasteful rejection. We introduce \textbf{Claim Graph Risk Control (CGRiC)}, a framework that decomposes responses into dependency graphs of verifiable claims and assigns calibrated per-claim risk bounds via information-lift statistics. By composing these bounds, CGRiC provides explicit guarantees on the probability that any incorrect claim passes verification undetected. When this composed risk exceeds a target threshold, the system triggers localized repairs rather than full abstention, preserving correct content while fixing problematic claims. Our approach explicitly models extraction noise and verifier imperfection, and exploits conditional independence structure for tighter certificates when validated. Empirically, CGRiC achieves target risk levels while reducing abstention by 31\% compared to atomic baselines across QA, summarization, and reasoning tasks.

We propose a data augmentation method for offline reinforcement learning, motivated by active positioning problems. Particularly, our approach enables the training of off-policy models from a limited number of suboptimal trajectories. We introduce a trajectory-based augmentation technique that exploits task structure and the geometric relationship between rewards, value functions, and mathematical properties of logging policies. During data collection, our augmentation supports suboptimal logging policies, leading to higher data quality and improved offline reinforcement learning performance. We provide theoretical justification for these strategies and validate them empirically across positioning tasks of varying dimensionality and under partial observability.

Mean-field variational inference (VI) is scalable, but its independence assumption can severely limit inference when the posterior is inherently coupled across instances especially for correlated data. Existing structured VI approaches either impose simple dependence patterns or incur substantial cost as dependence becomes richer, leaving efficient higher-order instance-level dependence modeling largely unresolved. We propose Copula-SVI, which augments amortized marginals with an explicit vine-copula posterior and refines joint samples with Stein updates toward the true posterior. The vine construction makes dependence learning and sampling practical by decomposing it into bivariate copula factors, enabling edge-minibatched training with variance-aware level-wise sampling and efficient dependence-aware initialization via a sparse vine built from the same sampled edges. Experiments on constrained clustering and time series modeling show consistent improvements over strong structured VI baselines and demonstrate efficient higher-order instance-level dependence modeling.