ICML 2026 论文列表

Class-Incremental Learning (CIL) is important in building real-world learning systems. In CLIP-based CIL, the model performs classification by comparing similarity between visual and textual embeddings obtained from template prompts, e.g., ``a photo of a [CLASS]''. This seemingly monolithic matching process can be decomposed into two conceptually distinct stages: attribute extraction and attribute aggregation. For example, a model may recognize cat using attributes such as fur texture and whiskers. When learning a new class like car, the model must extract additional attributes like wheels and adjust how they are aggregated in the shared representation space. However, since only data from the current task is available, incremental updates can bias both attribute extraction and aggregation toward new classes, leading to catastrophic forgetting. Therefore, we propose AREA for attribute extraction and aggregation in CLIP-based CIL. To stabilize extraction, we anchor class-level visual and textual attributes on the hyperspherical embedding space via principal geodesic analysis. To stabilize aggregation, we learn lightweight task-specific experts with scoring and residual refinement, regularized by a variational information bottleneck objective. During inference, we perform routing over task attribute manifolds via optimal transport for more concise prediction. Experiments show that AREA consistently outperforms SOTA methods. Code is available at https://github.com/LAMDA-CL/ICML2026-AREA.

Gesture interaction and touchless sensing is a natural and intuitive control method that allows users to control devices through natural hand or body movements, reducing reliance on physical input and enhancing convenience and functional efficiency. The biggest challenge is balancing accuracy and model parameter count for custom gesture tasks, while minimizing the number of data samples required for training. This paper proposes a novel IMU-based BiCrossNet model and two novel data augmentation models (delta-generator and embedding-generator) to address this challenge. Compared with existing methods, the model proposed in this article boosts accuracy by 11.7% and 12.7% in UMAHand (public datasets); and 8.85% and 5.25% in GRHand (self-developed datasets), with decreasing 27.8% pretrained feature-extractor model parameters. This research lays a solid foundation for deploying and implementing custome gesture recognition engineering on intelligent terminal devices.

Point forecasting for graph-structured multivariate time series is a fundamental problem, but rigorous uncertainty quantification for such predictions is still underexplored. Conformal prediction (CP) offers uncertainty estimation with a solid coverage guarantee under the exchangeability assumption, which requires the joint data distribution to be unchanged under permutation. However, in graph-structured time series, inherent cross-node coupling can violate the exchangeability condition, making direct application of CP unreliable. Inspired by the spectral graph theory, such coupling resides in global trends and can be characterized by the low-frequency components, while high-frequency components are nearly exchangeable. Therefore, we propose a novel concept named **S**pectral **G**raph **C**onditional **E**xchangeability (SGCE), which conditions exchangeable high-frequency components on low-frequency ones to preserve global trends and enable effective CP in the spectral domain. Based on SGCE, we further propose **S**pectral **C**onformal prediction via w**A**ve**LE**t transform (SCALE). SCALE uses graph wavelets to decompose low/high-frequency components and conformalizes high-frequency residuals via adaptive gating over a low-frequency embedding. Experimental results on real-world benchmark datasets across multiple application domains show that SCALE not only achieves valid coverage but also consistently improves the coverage-efficiency trade-off over the state-of-the-art CP methods.

Sample inefficiency remains a challenge in pixel-based visual reinforcement learning (RL), primarily due to ineffective state representation learning. While recent advances employ auxiliary tasks to improve representation learning, their representation goals (e.g., mask reconstruction, state prediction) are misaligned with the ultimate RL goal of maximizing return, constraining further improvements in representation quality. To achieve efficient visual reinforcement learning, we propose Return-Critic (RC), an auxiliary framework that bridges goal discrepancy by return prediction. RC samples partial frames from an episode, processes them through a shared visual encoder, and employs a lightweight Transformer to predict the episode's return, forcing the encoder to learn return-relevant representation. The attention weights naturally highlight important frames, enabling a key function for prioritized learning. Extensive experiments on both online (DMControl) and offline (V-D4RL) benchmarks demonstrate that RC significantly enhances the sample efficiency, particularly achieving 68% performance boost on average across nine challenging tasks from DMControl.

This paper investigates the scaling properties of autoregressive next-pixel prediction, a simple, end-to-end yet under-explored framework for unified vision models. Starting with images at resolutions of 32$\times$ 32, we train a family of Transformers using IsoFLOP profiles across compute budgets up to 7e19 FLOPs and evaluate three distinct target metrics: next-pixel prediction objective, ImageNet classification accuracy, and generation-based completion where top half of the image serves as a spatial prompt. First, optimal scaling strategy is critically task-dependent. At a fixed resolution of 32 $\times$ 32 alone, the optimal scaling properties for image classification and image generation diverge, where generation optimal setup requires the data size grow three to five times faster than for the classification optimal setup. Second, as image resolution increases, the optimal scaling strategy indicates that the model size must grow much faster than data size. Surprisingly, by projecting our findings, we discover that the primary bottleneck is compute rather than the amount of training data. As compute continues to grow four to five times annually, we forecast the feasibility of pixel-by-pixel modeling of images within the next five years.

Generative priors in Image Super-Resolution (SR) often compromise faithful restoration, we attribute this limitation to a fundamental spectral misalignment between isotropic objectives and the intrinsic natural image manifold. While Direct Preference Optimization offers a path to alignment, its reliance on spectrally flat Gaussian noise fails to distinguish authentic high-frequency details from hallucinations. To bridge this geometric gap, we propose ASASR, a theoretically grounded framework that recasts the generative flow into a Sobolev-induced Riemannian geometry by explicitly coloring the noise transition kernel to mirror natural spectral decay. Driving this geometric alignment, we integrate a parametric adversary grounded in the Riesz Representation Theorem, which synthesizes targeted negative samples equivalent to worst-case Sobolev gradients to direct optimization along the tangent space of plausible structural failures. Extensive evaluations demonstrate that ASASR outperforms leading generative baselines, particularly in preserving spectral consistency and structural fidelity, offering a robust solution that effectively mitigates artifacts.

Self-supervised learning for time-series representation aims to reduce reliance on labeled data while maintaining strong downstream performance, yet many existing approaches incur high computational costs or rely on assumptions that do not hold across diverse temporal dynamics. In this work, we introduce Divide and Contrast (Di-COT), an unsupervised framework that avoids data augmentation and multiple encoder passes by contrasting informative substructures within a window rather than individual timesteps. Di-COT stochastically partitions each window into a small number of overlapping sub-blocks per iteration, enabling efficient and meaningful contrast while mitigating false positives during temporal transitions. To further improve scalability, we adopt a contrastive objective whose computation depends on the batch size and the number of sub-blocks, making loss computation independent of sequence length. Extensive experiments on six large-scale real-world datasets, as well as the UCR and UEA benchmarks, demonstrate that Di-COT learns transferable representations while achieving state-of-the-art performance with substantially reduced training time.

Numerous works have noted similarities in how machine learning models represent the world, even across modalities. Although much effort has been devoted to uncovering properties and metrics on which these models align, surprisingly little work has explored causes of this similarity. To advance this line of inquiry, this work explores how two factors—dataset overlap and task overlap—influence downstream model similarity. We evaluate the effects of both factors through experiments across model sizes and modalities, from small classifiers to large language models. We find that dataset and task overlap are positively associated with higher representational similarity across many of our settings, with clear evidence in vision/language classification and weaker trends in language generation experiments. Finally, we consider downstream consequences of representational similarity, showing that greater similarity is associated with increased vulnerability to transferable adversarial attacks in vision models.

We study a class of iterated empirical risk minimization (ERM) procedures in which two successive ERMs are performed on the same dataset, and the predictions of the first estimator enter as an argument in the loss function of the second. This setting, which arises naturally in active learning and reweighting schemes, introduces intricate statistical dependencies across samples and fundamentally distinguishes the problem from classical single-stage ERM analyses. For linear models trained with a broad class of convex losses on Gaussian mixture data, we derive a sharp asymptotic characterization of the test error in the high-dimensional regime where the sample size and ambient dimension scale proportionally. Our results provide explicit, fully asymptotic predictions for the performance of the second-stage estimator despite the reuse of data and the presence of prediction-dependent losses. We apply this theory to revisit a well-studied pool-based active learning problem, removing oracle and sample-splitting assumptions made in prior work. We uncover a fundamental tradeoff in how the labeling budget should be allocated across stages, and demonstrate a double-descent behavior of the test error driven purely by data selection, rather than model size or sample count.

We study *grokking* — the onset of generalization long after overfitting — in a classical ridge regression setting. We prove end-to-end grokking results for learning over-parameterized linear regression models using gradient descent with weight decay. Specifically, we prove that the following stages occur: (i) the model overfits the training data early during training; (ii) poor generalization persists long after overfitting has manifested; and (iii) the generalization error eventually becomes arbitrarily small. Moreover, we show, both theoretically and empirically, that grokking can be amplified or eliminated in a principled manner through proper hyperparameter tuning. To the best of our knowledge, these are the first rigorous quantitative bounds on the generalization delay (which we refer to as the "grokking time") in terms of training hyperparameters. Lastly, going beyond the linear setting, we empirically demonstrate that our quantitative bounds also capture the behavior of grokking on non-linear neural networks. Our results suggest that grokking is not an inherent failure mode of deep learning, but rather a consequence of specific training conditions, and thus does not require fundamental changes to the model architecture or learning algorithm to avoid.

Many language tasks can be modeled as classification problems where a large language model (LLM) is given a prompt and selects one among many possible answers. We show that the classification error in such problems scales as a power law in the number of classes. This has a dramatic consequence: the prediction error can be reduced substantially by splitting the overall task into a sequence of smaller classification problems, each with the same number of classes ("degree"). This tree-structured decomposition models chain-of-thought (CoT). It has been observed that CoT-based predictors perform better when they "think", i.e., when they develop a deeper tree, thus decomposing the problem into a larger number of steps. We identify a critical threshold for the degree, below which thinking is detrimental, and above which there exists an optimal depth that minimizes the error. It is impossible to surpass this minimal error by increasing the depth of thinking.

Label shift refers to the distribution shift scenario where the marginal label distribution changes while the class-conditional distribution remains invariant. To address this challenge in complex real-world settings, we propose **Regularized Discriminative Alignment for Label Shift (RDALS)**, a novel framework that adapts to target domains by aligning distributions within the deep latent space. By shifting the focus from raw inputs to learned representations, RDALS effectively operates under a weaker and more practical invariance assumption. Specifically, we construct a moment-matching linear system using Linear Discriminant Analysis (LDA) and show that this choice maximizes numerical stability. We further provide rigorous theoretical analysis, establishing finite-sample error bounds for the importance weight estimation and the generalization bounds for the adapted classifier. Extensive experiments on standard benchmarks demonstrate that RDALS significantly outperforms state-of-the-art baselines, achieving superior robustness and accuracy in both data-scarce and extreme-shift regimes.

Make-on-demand combinatorial synthesis libraries (CSLs) like Enamine REAL have significantly enabled drug discovery efforts. However, their large size presents a challenge for virtual screening, where the goal is to identify the top compounds in a library according to a computational objective (e.g., optimizing docking score) subject to computational constraints under a limited computational budget. For current library sizes---numbering in the tens of billions of compounds---and scoring functions of interest, a routine virtual screening campaign may be limited to scoring fewer than 0.1% of the available compounds, leaving potentially many high scoring compounds undiscovered. Furthermore, as constraints (and sometimes objectives) change during the course of a virtual screening campaign, existing virtual screening algorithms typically offer little room for amortization. We propose the approximate-but-exhaustive search protocol for CSLs, or APEX. APEX utilizes a neural network surrogate that exploits the structure of CSLs in the prediction of objectives and constraints to make full enumeration on a consumer GPU possible in under a minute, allowing for exact retrieval of approximate top-k sets. To demonstrate APEX's capabilities, we develop a benchmark CSL comprised of more than 10 million compounds, all of which have been annotated with their docking scores on five medically relevant targets along with physicohemical properties measured with RDKit such that, for any objective and set of constraints, the ground truth top-k compounds can be identified and compared against the retrievals from any virtual screening algorithm. We show APEX's consistently strong performance both in retrieval accuracy and runtime compared to alternative methods.

Extracting skills from multi-agent offline dataset improves learning efficiency via sharing task-invariant coordination skills among tasks. In settings where tasks occur sequentially and the space of skills grows exponentially, existing approaches that rely on heuristically designed and fixed-sized skill libraries struggle to resolve the problem of distributional shift and interference, facing catastrophic forgetting and plasticity loss. To address this problem and endow agents with the ability to continually discover and reuse coordination skills in open-environment, we propose COMAD, a principled framework for **C**ontinual **O**ffline **M**ulti-**a**gent Skill **D**iscovery via Skill Partition and Reuse. We first discover skills from mixed multi-agent behavior data with an auto-encoder to transform coordination knowledge into reusable coordination skills. Then we construct a skill-augmented policy learning objective with multi-head architectures, explicitly guiding the advantage function with reusable skills identified via a density-based reusability estimator. Theoretical analysis shows our method approximates the optimum of a continual skill discovery problem. Empirical results across diverse MARL benchmarks show that COMAD continually expands its skill library to mitigate interference, achieving superior forward and backward transfer for task streams compared to multiple baselines.

Scaling large models requires optimization strategies that ensure rapid convergence grounded in stability. Maximal Update Parametrization ($\boldsymbol{\mu}$P) provides a theoretical safeguard for width-invariant $\Theta(1)$ activation control, whereas emerging optimizers like Muon are only "half-aligned" with these constraints: they control updates but allow weights to drift. To address this limitation, we introduce the **Spectral Sphere Optimizer (SSO)**, which enforces strict module-wise spectral constraints on both weights and their updates. By deriving the steepest descent direction on the spectral sphere, SSO realizes a fully $\boldsymbol{\mu}$P-aligned optimization process. To enable large‑scale training, we implement SSO as an efficient parallel algorithm within Megatron. Through extensive pretraining on diverse architectures, including Dense 1.7B, MoE 8B-A1B, and 200-layer DeepNet models, SSO consistently outperforms AdamW and Muon. Furthermore, we observe significant practical stability benefits, including improved MoE router load balancing, suppressed outliers, and strictly bounded activations.

Generative models that transport a simple source distribution to a complex data distribution—such as diffusion and flow-based models—are central to high‑fidelity data generation. Test-time guidance can further steer pretrained models toward user-specified high-reward regions without costly retraining. However, existing guidance methods face critical limitations: they struggle with non-differentiable rewards, fail to navigate complex landscapes, and often lack theoretical guarantees on generation performance. We propose {\it Source Parallel Tempering (SPT)}, a gradient‑free test‑time guidance framework that operates entirely in source space, leveraging its simpler geometry to avoid the complexities of the data manifold. SPT couples a local exploration kernel with parallel tempering, enabling efficient barrier crossing and robust discovery of high‑reward modes. Theoretically, we provide a new error bound linking training-time approximation error to test-time guidance performance.Empirically, SPT significantly improves over state-of-the-art methods on benchmark tasks in conditional image synthesis and dynamical system trajectory sampling.

We introduce SOMA, the Spatial Memory framework for Out-of-Vision Manipulation in Vision-Language-Action (VLA) models. Most existing VLAs implicitly assume that task-relevant objects are always visible, leading to brittle and reactive behaviors when targets fall outside the camera’s field of view. SOMA addresses this limitation by equipping VLAs with a persistent spatial memory constructed from multi-view observations acquired via a movable head camera, enabling reasoning beyond the current visual frustum. The framework consists of three components: Spatial Memory Construction, which aggregates angular-wise observations into a unified spatial–semantic representation through scanning; Dynamic Memory Refinement, which maintains global consistency over time; and Contextual Memory Retrieval, which activates instruction-relevant spatial cues during manipulation. We evaluate SOMA on five challenging real-world out-of-vision manipulation tasks, including multi-step and dual-arm scenarios where target objects are initially invisible. Experimental results show that SOMA not only improves task success rates, but also induces qualitatively different manipulation behaviors, with faster target localization, reduced viewpoint search, and near one-shot grasping under partial observability. Additional experiments on RoboCasa GR1 and SimplerEnv further validate the effectiveness of SOMA’s memory design under conventional fully observable settings. Code will be released soon.

While deep neural network-based long-term time series forecasting (LTSF) has become indispensable for critical infrastructures such as smart grids and IoT platforms, the deployment of these models as black-box APIs introduces severe security vulnerabilities that remain largely underexplored. In this paper, we propose TSFAdv, a query-efficient adversarial framework for LTSF models. The framework systematically analyzes model sensitivity to spectral perturbations in both magnitude and phase of the frequency domain. By embedding frequency-domain priors into Natural Evolution Strategies, we achieve sensitivity-guided gradient estimation that improves perturbation efficacy without violating practical query constraints. To overcome ambiguities inherent to point-wise regression metrics, we adopt a trajectory-level evaluation protocol based on Dynamic Time Warping (DTW) and Slope Misalignment Error (SME), enabling the capture of complex geometric and directional deviations. Extensive experiments across seven state-of-the-art architectures demonstrate that TSFAdv achieves substantial performance gains, with median DTW improvements of 38.78\% and median SME improvements of 26.47\% under 200-query budget. These findings reveal that existing defense mechanisms are ineffective against frequency-domain manipulation, underscoring an urgent necessity for robust LTSF models.

We introduce ideal attribution mechanisms, a formal abstraction for reasoning about attribution decisions over strings. At the core of this abstraction lies the ledger, an append-only log of the prompt-response interaction history between a model and its user. Each mechanism produces deterministic decisions based on the ledger and an explicit selection criterion, making it well-suited to serve as a ground truth for attribution. We frame the design goal of watermarking schemes as faithful representation of ideal attribution mechanisms. This novel perspective brings conceptual clarity, replacing piecemeal probabilistic statements with a unified language for stating the guarantees of each scheme. It also enables precise reasoning about desiderata for future watermarking schemes, even when no current construction achieves them, as the ideal functionalities are specified first. In this way, the framework provides a roadmap that clarifies which guarantees are attainable in an idealized setting and worth pursuing in practice.