ICML 2026 论文列表

Dynamic Data selection aims to accelerate training by prioritizing informative samples during online training. However, existing methods typically rely on task-specific handcrafted metrics or static/snapshot-based criteria to estimate sample importance, limiting scalability across learning paradigms and making it difficult to capture the evolving utility of data throughout training. To address this challenge, we propose Data Agent, an end-to-end dynamic data selection framework that formulates data selection as a training-aware sequential decision-making problem. The agent learns a sample-wise selection policy that co-evolves with model optimization, guided by a composite reward that integrates loss-based difficulty and confidence-based uncertainty signals. The reward signals capture complementary objectives of optimization impact and information gain, together with a tuning-free adaptive weighting mechanism that balances these signals over training. Extensive experiments across a wide range of datasets and architectures demonstrate that Data Agent consistently accelerates training while preserving or improving performance, e.g., reducing costs by over 50\% on ImageNet-1k and MMLU with lossless performance. Moreover, its dataset-agnostic formulation and modular reward make it plug-and-play across tasks and scenarios, e.g., robustness to noisy datasets, highlighting its potential in real-world scenarios. Code is available at https://github.com/Jackbrocp/Data-Agent.

The paradigm of learning from automatic annotations—driven by pre-trained experts and Foundation Models—dominates data-hungry applications. However, it introduces a critical challenge: model-induced label noise. Unlike stochastic noise in classical robust learning, this noise stems from annotator inductive biases, manifesting as systematic errors tightly coupled with local feature manifolds. Existing methods relying on global transition matrices underfit these structural patterns, while learning instance-specific matrices remains mathematically intractable. We propose Model-Induced Noise Decoupling (MIND), a theoretically grounded framework addressing this dilemma. We demonstrate that the high-dimensional noise manifold can be decoupled into tractable, subspace-dependent components via Latent Manifold Disentanglement. Specifically, our Latent Decoupling Estimator (LDE) dynamically projects samples into latent structural clusters with consistent error modes, facilitating noise identifiability without ground-truth anchor points. To rigorously evaluate robustness, we adopt a hierarchical protocol: moving from controlled noise on CIFAR-100 to a structural stress test on large-scale real-world 3D datasets (S3DIS, ScanNet), where error patterns explicitly couple with geometric manifolds. Empirically, MIND significantly outperforms state-of-the-art methods on these complex benchmarks and effectively corrects zero-shot hallucinations from Vision-Language Models (e.g., OpenSeg), highlighting its potential as a robust distillation framework for Foundation Models.

In recent advances, to enable a fully data-driven learning paradigm on relational databases (RDB), relational deep learning (RDL) is proposed to structure the RDB as a heterogeneous entity graph and adopt the graph neural network (GNN) as the predictive model. However, existing RDL methods neglect the imbalance problem of relational data in RDBs and risk under-representing the minority entities, leading to an unusable model in practice. In this work, we investigate, for the first time, class imbalance problem in RDB entity classification and design the relation-centric minority synthetic over-sampling GNN (**Rel-MOSS**), in order to fill a critical void in the current literature. Specifically, to mitigate the issue of minority-related information being submerged by majority counterparts, we design the relation-wise gating controller to modulate neighborhood messages from each individual relation type. Based on the relational-gated representations, we further propose the relation-guided minority synthesizer for over-sampling, which integrates the entity relational signatures to maintain relational consistency. Extensive experiments on 12 entity classification datasets provide compelling evidence for the superiority of Rel-MOSS, yielding an average improvement of up to 2.46% and 4.00% in terms of *Balanced Accuracy* and *G-Mean*, compared with SOTA RDL methods and classic methods for handling class imbalance.

Computational optimal transport (OT) offers a principled framework for generative modeling. Neural OT methods, which use neural networks to learn an OT map (or potential) from data in an amortized way, can be evaluated out of sample after training, but existing approaches are tailored to Euclidean geometry. Extending neural OT to high-dimensional Riemannian manifolds remains an open challenge. In this paper, we prove that any method for OT on manifolds that produces discrete approximations of transport maps necessarily suffers from the curse of dimensionality: achieving a fixed accuracy requires a number of parameters that grows exponentially with the manifold dimension. Motivated by this limitation, we introduce Riemannian Neural OT (RNOT) maps, which are continuous neural-network parameterizations of OT maps on manifolds that avoid discretization and incorporate geometric structure by construction. Under mild regularity assumptions, we prove that RNOT maps approximate Riemannian OT maps with sub-exponential complexity in the dimension. Experiments on synthetic and real datasets demonstrate improved scalability and competitive performance relative to discretization-based baselines.

Generative Flow Networks (GFlowNets) excel at sampling diverse, high-reward objects. In many practical applications where active reward queries are infeasible, these models must be trained using static offline datasets. Prevailing training methods typically rely on a proxy model to provide reward feedback for online sampled trajectories. However, constructing a reliable proxy is often challenging due to data scarcity or high evaluation costs. While existing proxy-free approaches attempt to address this, they often impose coarse constraints that limit the model's ability to explore effectively. To overcome these limitations, we propose **Trajectory-Distilled GFlowNet (TD-GFN)**, a novel proxy-free training framework. TD-GFN utilizes inverse reinforcement learning (IRL) to extract dense, transition-level edge rewards from offline trajectories, providing rich structural guidance for efficient exploration. Crucially, to ensure robustness, these rewards guide the policy indirectly through DAG pruning and prioritized backward sampling. This design ensures that gradient updates rely exclusively on ground-truth terminal rewards from the dataset, thereby preventing error propagation. Empirical results demonstrate that TD-GFN significantly outperforms a broad range of existing baselines in both convergence speed and sample quality, establishing a more robust and efficient paradigm for offline GFlowNet training.

Tabular Language Models (TLMs) have been claimed to achieve strong generalization for tabular prediction. We conduct a systematic re-evaluation of Tabula-8B as a representative TLM, utilizing 165 datasets from the UniPredict benchmark. Our investigation reveals three findings. First, binary and categorical classification achieve near-zero median lift over majority-class baselines and strong aggregate performance is driven entirely by quartile classification tasks. Second, top-performing datasets exhibit pervasive contamination, including complete train-test overlap and task-level leakage that evades standard deduplication. Third, instruction-tuning without tabular exposure recovers 92.2% of standard classification performance and on quartile classification, format familiarity closes 71.3% of the gap with the residual attributable to contaminated datasets. These findings suggest claimed generalization likely reflects evaluation artifacts rather than learned tabular reasoning. We conclude with recommendations for strengthening TLM evaluation.

Recent years have witnessed a surge of interest in federated learning. In particular, federated continual learning (FCL) emerged as an effective approach that enables clients with evolving, non-storable data to engage in collective learning. Among FCL approaches, replay-based methods excel by mitigating data storage constraints through synthetic data generation. However, existing replay-based methods overlook spatial and temporal information inherent in FCL settings, leading to suboptimal model performance. For instance, spatial variation in COVID-19 prevalence across hospitals in different states (e.g., Delta surging in Florida vs. Omicron in New York) and the temporal evolution of regional outbreaks are critical information for accurately distinguishing between COVID variants. This paper presents GFedCL to address this limitation. GFedCL is a new FCL approach that (1) constructs spatial- and temporal-aware relational graphs with attention mechanisms, and (2) uses the graphs, combined with generative adversarial learning, to generate high-quality synthetic data. GFedCL can generate synthetic data that matches the expectation of real data distribution while preserving privacy with theoretical guarantees. GFedCL consistently outperforms state-of-the-art FCL methods, gaining 27.95% improvement on TinyImageNet.

Real-world graph datasets often arise from mixtures of populations, where graphs are generated by multiple distinct underlying distributions. In this work, we propose a unified framework that explicitly models graph data as a mixture of probabilistic graph generative models represented by graphons. To characterize and estimate these graphons, we leverage graph moments (motif densities) to cluster graphs generated from the same underlying model. We establish a novel theoretical guarantee, deriving a tighter bound showing that graphs sampled from structurally similar graphons exhibit similar motif densities with high probability. This result enables principled estimation of graphon mixture components. We show how incorporating estimated graphon mixture components enhances two widely used downstream paradigms: graph data augmentation via mixup and graph contrastive learning. By conditioning these methods on the underlying generative models, we develop graphon-mixture-aware mixup (GMAM) and model-aware graph contrastive learning (MGCL). Extensive experiments on both simulated and real-world datasets demonstrate strong empirical performance. In supervised learning, GMAM outperforms existing augmentation strategies, achieving new state-of-the-art accuracy on 6 out of 7 datasets. In unsupervised learning, MGCL performs competitively across seven benchmark datasets and achieves the lowest average rank overall.

Model-based reinforcement learning (MBRL) improves sample efficiency by leveraging learned dynamics models, but often suffers from unstable training due to dynamics model learning mismatch: models are trained on data from historical policies while being queried under the continually updated current policy. This mismatch can cause policy-relevant local model error to remain large even as global prediction error decreases, leading to oscillatory updates. We present a finite-horizon performance analysis that decomposes the policy performance gap into global model error, policy-induced distribution shift, and historical policy mixture effects, showing that minimizing global error alone is insufficient for stable optimization. Motivated by this analysis, we propose Prioritized Model Experience Replay (PMER), a lightweight replay mechanism that prioritizes high-error transitions during dynamics model training. PMER implicitly emphasizes policy-relevant regions without explicit policy distance estimation and integrates seamlessly into Dyna-style MBRL frameworks. Experiments on MuJoCo benchmarks demonstrate improved stability, faster convergence, and higher sample efficiency.

Hyperbolic geometry has recently emerged as a powerful representation space for multimodal learning, as it naturally captures hierarchical semantic structure across modalities. Despite this progress, how such representations behave under continual learning poses fundamentally different challenges that remain underexplored. This work provides a geometric perspective on this problem and establishes a theoretical foundation for representation preservation in hyperbolic space, showing that preventing forgetting requires cross-modal invariance under a shared hyperbolic isometry. We further show that forgetting in hyperbolic continual learning involves both semantic relation drift and hierarchy-related distortion, motivating preservation of both cross-modal relational structure and hierarchical geometry. Guided by these insights, a principled continual learning framework is derived that preserves essential geometric structure while allowing effective adaptation to new tasks. Experiments on continual multimodal benchmarks corroborate the effectiveness of the proposed approach.

The Gromov-Wasserstein (GW) distance provides a powerful framework for aligning structured data by comparing the intrinsic geometries of metric measure spaces, and has become a fundamental tool in machine learning. Most existing methods leverage entropy regularization to reduce the computational complexity to $\boldsymbol{\mathrm{O}}(n^3)$, where $n$ is the number of samples. However, this cubic time complexity remains a major bottleneck in large-scale applications, severely limiting the scalability. To address this challenge, we propose LoBCD-GW, an efficient GW optimization algorithm. Specifically, we reveal the data-dependent sparsity of large-magnitude updates to the coupling matrix and introduce a localized block coordinate selection strategy. This confines the optimization to a "selected set" of size $r$ (which is a parameter that depends on the given data set, and usually is much less than $n$), thereby reducing the complexity to $\boldsymbol{\mathrm{O}}(r^3)$. In addition, unlike prior acceleration methods often based on constraint relaxation, our method can guarantee the strict feasibility through a novel "marginal compensation mechanism" to synchronize local mass redistribution with global constraints. Finally, we conduct a set of experiments on various datasets, and the results demonstrate that our method achieves a $5.8\times$ speedup on large-scale graph alignment benchmarks, while maintaining state-of-the-art accuracy.

Single-pass uncertainty quantification (UQ) methods for classification represent uncertainty by predicting a tractable distribution over the class probability vector. While existing approaches primarily focus on enhancing the expressiveness of this distribution, they often provide limited insight into how predictive uncertainty is structured and aggregated, resulting in weak interpretability. We introduce the *courtroom analogy*, which conceptualizes uncertainty-aware classification as a structured debate among class-specific advocates. Each advocate forms a probabilistic opinion, and a final verdict is reached by aggregating these opinions using input-dependent plausibility weights. In this framework, each advocate's opinion is modeled as a Dirichlet distribution whose concentration parameter is decomposed into shared evidence and class-specific advocacy. This yields a structured mixture of Dirichlet distributions with semantically interpretable parameters. To instantiate this formulation, we propose *Mixture of Dirichlet EXperts* (MoDEX), a single-pass neural architecture that predicts the courtroom parameters, enabling efficient and expressive UQ while explicitly modeling uncertainty aggregation. We demonstrate that MoDEX enjoys strong theoretical properties and achieves state-of-the-art UQ performance across diverse benchmarks, yielding interpretable uncertainty estimates with meaningful semantics.

Deep neural networks (DNNs) achieve high accuracy on time series classification (TSC) but remain opaque, hindering deployment in sensitive domains. Existing post-hoc TSC explanation methods rely on a single attribution perspective and incur high per-instance computational cost, limiting real-time use. We propose XMA, a framework that unifies multiple post-hoc explainers at the instance level and amortizes the cost of explanation into a learned inference pass. **Instance-level Multi-Expert Knowledge Distillation (IMEKD)** selects, per instance, the attribution map with the highest combined faithfulness and robustness score from a pool of XAI experts. **Objective-Regularized Amortized Optimization Explanation (ORAOE)** trains an explainer DNN to reproduce this instance-best supervision while directly optimizing differentiable faithfulness and robustness objectives, letting the student refine beyond any individual teacher. **Faithfulness-Preserving Segmentation (FPS)** converts point-wise maps into contiguous segments without changing their faithfulness score. Across four synthetic datasets, MIT-ECG with cardiologist-verified ground truth, and 11 multivariate UEA benchmarks on three DNN architectures, XMA attains the best AUPRC on all synthetic and MIT-ECG benchmarks among compared methods, and the highest faithfulness on 7 of 11 and robustness on 8 of 11 UEA datasets, while amortizing explanation into a lightweight learned explainer rather than relying on per-instance optimization.

Multimodal agents offer a promising path to automating complex document-intensive workflows. Yet, a critical question remains: do these agents demonstrate genuine strategic reasoning, or merely stochastic trial-and-error search? To address this, we introduce MADQA, a benchmark of 2,250 human-authored questions grounded in 800 heterogeneous PDF documents. Guided by Classical Test Theory, we design it to maximize discriminative power across varying levels of agentic abilities. To evaluate agentic behavior, we introduce a novel protocol that measures the accuracy-effort trade-off. Using this framework, we show that while the best agents can match human searchers in raw accuracy, they succeed on largely different questions and rely on brute-force search to compensate for weak strategic planning. They fail to close the nearly 20\% gap to oracle performance, persisting in unproductive loops. We release the dataset and evaluation harness to help facilitate the transition from brute-force retrieval to calibrated, efficient reasoning.

CauchyNet is a compact complex-valued network whose hidden units form products of shifted reciprocal features, motivated by Cauchy-type kernel representations. The design targets regression problems with sharp rational-like spikes and partially observed inputs, where standard real-valued networks often require large width. We prove that finite linear combinations of multivariate Cauchy kernels are dense in $C(M)$ on compact $M\subset\mathbb R^N$, and that CauchyNet can realize these kernel sums via its complex biases and output weights. In experiments, CauchyNet reaches lower error on near-singular and gap-filling benchmarks, often with substantially fewer trainable parameters in our settings; results on smooth and piecewise-affine targets are mixed and delineate the method's intended regime.

We study *reward-free* and *reward-agnostic* exploration in episodic finite-horizon Markov decision processes (MDPs), where an agent explores an unknown environment without observing external rewards. Reward-free exploration aims to enable $\epsilon$-optimal policies for *any* reward revealed after exploration, while reward-agnostic exploration targets $\epsilon$-optimality for rewards drawn from a small finite class. In the *reward-agnostic setting*, Li, Yan, Chen, and Fan (2024) achieve minimax sample complexity, but only for restrictively small accuracy parameter $\epsilon$. We propose a new algorithm that significantly relaxes the requirement on $\epsilon$. Our approach is novel and of technical interest by itself. Our algorithm employs an online learning procedure with carefully designed rewards to construct an exploration policy, which is used to gather data sufficient for accurate dynamics estimation and subsequent computation of an $\epsilon$-optimal policy once the reward is revealed. Finally, we establish a tight lower bound for *reward-free exploration*, closing the gap between known upper and lower bounds.

Bayesian Last Layers (BLLs) provide a convenient and computationally efficient way to estimate uncertainty in neural networks. However, they underestimate epistemic uncertainty because they apply a Bayesian treatment only to the final layer, ignoring uncertainty induced by earlier layers. We propose a method that improves BLLs by leveraging a projection of Neural Tangent Kernel (NTK) features onto the space spanned by the last-layer features. This enables posterior inference that accounts for variability of the full network while retaining the low computational cost of inference of a standard BLL. We show that our method yields posterior variances that are provably greater or equal to those of a standard BLL, correcting its tendency to underestimate epistemic uncertainty. To further reduce computational cost, we introduce a uniform subsampling scheme for estimating the projection matrix and for posterior inference. We derive approximation bounds for both types of subsampling. Empirical evaluations on UCI regression, contextual bandits, image classification, and out-of-distribution detection tasks in image and tabular datasets, demonstrate improved calibration and uncertainty estimates compared to standard BLLs and competitive baselines, while reducing computational cost.

Are two distributions close to each other with statistical significance? *Distribution closeness testing* (DCT) formalizes this question by testing whether the distance between a distribution pair is at least $\epsilon$-far. Existing DCT methods mainly measure discrepancies between a distribution pair defined on discrete spaces (e.g., using total variation), which limits their applications to complex data (e.g., images). To extend DCT to more types of data, a natural idea is to introduce *maximum mean discrepancy* (MMD), a powerful measurement of the distributional discrepancy between two complex distributions, into DCT scenarios. However, the empirical results indicate that many distribution pairs can have the same MMD value despite having different norms in the same *reproducing kernel Hilbert space* (RKHS), and these pairs may exhibit different finite-sample distinguishability and reflect different practical closeness levels, making MMD less informative in DCT. To mitigate the issue, we design a new measurement of distributional discrepancy, *norm-adaptive MMD* (NAMMD), which scales MMD's value using the RKHS norms of distributions. Based on the asymptotic distribution of NAMMD, we finally propose the NAMMD-based DCT to assess the closeness level of a distribution pair. Theoretically, we prove that NAMMD-based DCT has higher test power compared to MMD-based DCT, with bounded type-I error, which is also validated by extensive experiments on many types of data (e.g., synthetic noise, real images). Our code is available at: https://github.com/zhijianzhouml/NAMMD.

In sampling tasks, it is common for target distributions to be known up to a normalizing constant. However, in many situations, even evaluating the unnormalized distribution can be costly or infeasible. This issue arises in scenarios such as sampling from the Bayesian posterior for tall datasets and the `doubly-intractable' distributions. In this paper, we begin by observing that seemingly different Markov chain Monte Carlo (MCMC) algorithms, such as the exchange algorithm, PoissonMH, and TunaMH, can be unified under a simple common procedure. We then extend this procedure into a novel framework that allows the use of auxiliary variables in both the proposal and the acceptance--rejection step. Several new MCMC algorithms emerge from this framework that uses estimated gradients to guide the proposal moves. They have demonstrated significantly better performance than existing methods on both synthetic and real datasets. We also develop theory for the new framework and use it to simplify and extend results for existing algorithms. The code to reproduce the experimental results can be found at https://github.com/ywwes26/Auxiliary-MCMC.