ICML 2026 论文列表

International Conference on Machine Learning

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6,341篇论文

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Hi-Time: Hierarchical Latent Prediction for Multivariate Time Series Classification

Kun Zeng, Binquan Wu, Qianli Ma

展开摘要

Integrating Large Language Models (LLMs) into time series tasks has yielded impressive performance. While some works aim to enhance accuracy by explicitly designing step-by-step reasoning into prompts, such explicit Chain-of-Thought (CoT) approaches are difficult to generalize to time series. This is because it is difficult to clearly define the reasoning trajectories of time series. In addition, the high heterogeneity across time series often requires specialized prompt designs, limiting the model's scalability. To address these challenges, we propose **Hi-Time**, a **hi**erarchical latent prediction framework based on temporal semantic codes for multivariate **time** series classification. This framework automatically constructs scenario-specific coarse-to-fine prediction trajectories based on the characteristics of time series, thereby providing structured supervision for the LLM. Specifically, Hi-Time first performs temporal representation pre-training with a multi-view temporal representation fusion to acquire high-quality temporal embeddings. We then discretize these temporal embeddings into hierarchical temporal semantic codes that form the coarse-to-fine prediction trajectory. Finally, the LLM predicts temporal semantic codes in a stepwise manner and then infers the final label, thereby establishing a coarse-to-fine decision process. Experiments on ten public multivariate time series datasets demonstrate that Hi-Time effectively adapts to diverse datasets and outperforms state-of-the-art methods. Our code is available at <https://github.com/qianlima-lab/Hi-Time>.

Poster
DDP-WM: Disentangled Dynamics Prediction for Efficient World Models

Shicheng Yin, Kaixuan Yin, Weixing Chen, Yang Liu, Guanbin Li, Liang Lin

展开摘要

World models are essential for autonomous robotic planning. However, the substantial computational overhead of existing dense Transformer-based models significantly hinders real-time deployment. To address this efficiency-performance bottleneck, we introduce DDP-WM, a novel world model centered on the principle of Disentangled Dynamics Prediction (DDP). We hypothesize that latent state evolution in observed scenes is heterogeneous and can be decomposed into sparse primary dynamics driven by physical interactions and secondary context-driven background updates. DDP-WM realizes this decomposition through an architecture that integrates efficient historical processing with dynamic localization to isolate primary dynamics. By employing a cross-attention mechanism for background updates, the framework optimizes resource allocation and provides a smooth optimization landscape for planners. Extensive experiments demonstrate that DDP-WM achieves superior efficiency and performance across diverse tasks, including navigation, precise tabletop manipulation, and complex deformable or multi-body interactions. Specifically, on the challenging Push-T task, DDP-WM achieves an approximately 9 times inference speedup and improves the MPC success rate from 90% to 98% compared to state-of-the-art dense models.

Poster
InstEmb: Instruction-Following Embeddings through Glimpses of the Future

Tianhao Gao, Jun Fang, Xiaohui Zhang, Zhiyuan Liu, Chao Liu, Pengzhang Liu, Qixia Jiang

展开摘要

Recent advances have empowered large language models (LLMs) with remarkable fine-grained instruction-following capabilities in text generation tasks. However, embedding methods typically rely solely on the hidden state of the input's last token, limiting their ability to capture complete semantic signals distributed across the full output tokens. Moreover, existing discrete-to-continuous re-encoding approaches introduce semantic discontinuity. To address these limitations, we propose $\textbf{InstEmb}$, a novel instruction following embedding framework. InstEmb jointly optimizes two key aspects: (1) Input-Intrinsic semantic information, achieved by employing contrastive learning focused on the representation of the last input token, and (2) Output-Aware semantic information, captured through representation self-distillation leveraging learnable look-ahead tokens without introducing additional decoding latency. Additionally, we introduce $\textbf{Dual-Anchor Alignment Pooling (DAAP)}$, explicitly aligned with our dual training objectives. Extensive experiments demonstrate that InstEmb achieves state-of-the-art performance across multiple instruction following benchmarks without benchmark-specific supervised data.

Poster
Prediction-Powered Adaptive Inference with Pretrained AI Models for Contextual Bandits

Gabriel Sargent, Will Wei Sun, Zhengwu Zhang, Yufeng Liu

展开摘要

In adaptive experiments, statistical inference is essential for reliable decision-making and scientific discovery. Often in these settings, collecting labeled data is expensive, but decision-makers have access to large unlabeled datasets and strong pretrained AI models that can generate outcome predictions. Effectively leveraging these predictions in online experiments poses fundamental challenges for statistical inference: AI models may be misspecified, and data collected under adaptive policies are inherently non-i.i.d., invalidating classical inference techniques. To address these challenges, we propose a Prediction-Powered Adaptive Inference (PPAI) estimator that integrates unlabeled data, predicted labels, and adaptively collected labeled data through a single estimating equation. We establish asymptotic normality of the PPAI estimator under mild conditions on the data-collection policy, enabling valid confidence intervals and hypothesis tests for a broad class of Z-functionals. The method incorporates a data-driven tuning mechanism that adaptively weights AI predictions according to their informativeness, guaranteeing that the resulting asymptotic variance is no worse than that of the labeled-only baseline, and is strictly smaller when predictions are informative. Numerical experiments further support the theory, illustrating efficiency gains with informative AI predictions and robust performance when predictions are inaccurate.

Poster
Robust Bayes-Assisted Conformal Prediction

Kianoosh Ashouritaklimi, Stefano Cortinovis, Francois Caron

展开摘要

Bayes--assisted conformal prediction combines the strengths of Bayesian modelling with exact, distribution--free frequentist coverage guarantees. Although conformal validity is preserved even when the Bayesian working model (BWM) is misspecified, the size of the resulting prediction sets can degrade substantially when the prior is poorly aligned with the observed data. We address this limitation by introducing \textbf{RoBAS} (\textbf{Ro}bust \textbf{B}ayes-\textbf{A}ssisted \textbf{S}hrinkage): a Bayes--assisted framework for constructing robust nonconformity scores, with two instantiations: one induced by a heavy--tailed BWM, and a closed--form empirical Bayes shrinkage score. The resulting scores adapt to the quality of the working information encoded in the prior: when this information is reliable, they exploit it to produce efficient prediction sets; when it is weak or inaccurate, they revert to the Distance--To--Average (DTA) score, a robust non--informative baseline. We evaluate the proposed scores on tabular and image regression tasks where the training distribution may differ from the calibration and test distributions, while the calibration and test data themselves remain exchangeable. We find that they are competitive with widely used scores in the absence of such shift, while substantially reducing interval widths in shifted settings.

Poster
Asymmetric conformal prediction with penalized kernel sum-of-squares

Louis Allain, Sébastien Da Veiga, Brian Staber

展开摘要

Conformal prediction (CP) is a distribution-free method to construct reliable prediction intervals that has gained significant attention in recent years. Despite its success and various proposed extensions, a significant practical feature which has been overlooked in previous research is the potential skewed nature of the noise, or of the residuals when the predictive model exhibits bias. In this work, we leverage recent developments in CP to propose a new asymmetric procedure that bridges the gap between skewed and non-skewed noise distributions, while still maintaining adaptivity of the prediction intervals. We introduce a new statistical learning problem to construct adaptive and asymmetric prediction bands, with a unique feature based on a penalty which promotes symmetry: when the penalty intensity varies, the intervals smoothly change from symmetric to asymmetric ones. This statistical learning problem is based on reproducing kernel Hilbert spaces and the recently introduced kernel sum-of-squares framework. First, we establish representer theorems to make our problem tractable in practice, and derive dual formulations which are essential for scalability to larger datasets. Second, the intensity of the penalty is chosen using a novel data-driven method which automatically identifies the symmetric nature of the noise. We show that consenting to some asymmetry can let the learned prediction bands better adapt to small sample regimes, outliers or biased predictive models. Finally, our experiments illustrate the efficiency of such penalized kernel sum-of-squares to construct adaptive prediction bands.

Poster
Accelerating Q-learning through Efficient Value-Sharing across Actions

Prabhat Nagarajan, Brett Daley, Martha White, Marlos C. Machado, Marlos C. Machado

展开摘要

Action-values are foundational to many control algorithms such as Q-learning. Therefore learning action-values efficiently is central to reinforcement learning (RL). However, learning them can be slow, requiring many updates to move values from their initialization, typically near zero, to their true values, which may be far from zero. Moreover, action-value learning algorithms typically update each state–action pair independently, without learning shared value structure across actions within a state. In this paper, we address these inefficiencies by introducing the mean-expansion layer, which accelerates action-value learning by sharing values across actions within a state and by changing the problem from directly learning potentially large action-values to learning a lower-norm representation of them. In deep RL, this layer can be applied as a parameter-free addition to Q-network architectures without altering the underlying algorithm. Applied to deep Q-networks and implicit quantile networks, it improves aggregate performance across 57 Atari games while increasing action gaps and dramatically reducing value overestimation.

Spotlight
High-Dimensional Learning Dynamics of Quantized Models with Straight-Through Estimator

Yuma Ichikawa, Shuhei Kashiwamura, Ayaka Sakata

展开摘要

Quantized neural network training optimizes a discrete, non-differentiable objective. The straight-through estimator (STE) enables backpropagation through surrogate gradients and is widely used. While previous studies have primarily focused on the properties of surrogate gradients and their convergence, the influence of quantization hyperparameters, such as bit width and quantization range, on learning dynamics remains largely unexplored. We theoretically show that in the high-dimensional limit, STE dynamics converge to a deterministic ordinary differential equation. This reveals that STE training exhibits a plateau followed by a sharp drop in generalization error, with plateau length depending on the quantization range. A fixed-point analysis quantifies the asymptotic deviation from the unquantized linear model. We also extend analytical techniques for stochastic gradient descent to nonlinear transformations of weights and inputs.

Poster
Mixing Configurations for Downstream Prediction

Juntang Wang, Hao Wu, Yihan Wang, Dongmian Zou, Shixin Xu

展开摘要

Clustering-based features are widely used in machine learning, but most methods must choose a resolution---a choice that is global, fixed, and ad hoc. Recent work shows that varying the resolution parameter produces only a finite set of structurally stable partitions, known as configurations. Based on this, we introduce Configuration-Mixed Prediction (CMP), a setting where models learn to adaptively weight these configurations per sample for downstream prediction. We propose MixConfig, a plug-and-play feature augmentation module that extracts configurations from any embedding and learns energy-aware mixing weights via a novel selector that jointly reasons about sample context, cluster assignments, and stability statistics. Experiments across tabular, molecular, vision, and text domains demonstrate consistent improvements over single-resolution and static baselines across diverse predictor architectures, with gains particularly pronounced in low-data regimes.

Poster
Rethinking Temporal Consistency in Video Object-Centric Learning: From Prediction to Correspondence

Zhiyuan Li, Rongzhen Zhao, Wenyan Yang, Wenshuai Zhao, Pekka Marttinen, Joni Pajarinen

展开摘要

The de facto approach in video object-centric learning maintains temporal consistency through learned dynamics modules that predict future object representations, called slots. We demonstrate that these predictors function as expensive approximations of discrete correspondence problems. Modern self-supervised vision backbones already encode instance-discriminative features that distinguish objects reliably. Exploiting these features eliminates the need for learned temporal prediction. We introduce Grounded Correspondence, a framework that replaces learned transition functions with deterministic bipartite matching. Slots initialize from salient regions in frozen backbone features. Frame-to-frame identity is maintained through Hungarian matching on slot representations. The approach requires zero learnable parameters for temporal modeling yet achieves competitive performance on MOVi-D, MOVi-E, and YouTube-VIS. Project page: https://magenta-sherbet-85b101.netlify.app/

Poster
Decision-Focused Learning via Tangent-Space Projection of Prediction Error

Junhyeong Lee, Sangjin Jin, Yongjae Lee

展开摘要

Decision-Focused Learning (DFL) trains predictors to improve downstream decision quality, but computing regret gradients typically requires differentiating through solvers or relying on surrogate losses, which can be computationally expensive or deviate from the true objective. We show that, under standard regularity with locally stable active constraints, the regret gradient admits a closed-form geometric characterization, equivalent to the prediction error projected onto the tangent space of active constraints, scaled by local curvature. This reveals that regret gradients can be obtained by filtering decision-irrelevant components from the MSE gradient, providing a simpler and more direct alternative to existing approaches. We propose PEAR (Projected Error As Regret-gradient), which computes regret gradients via a reduced linear system over active constraints, avoiding differentiation through solver iterations or additional optimization solves. Experiments on LP benchmarks and a real-world QP task show that PEAR achieves the best decision quality among all baselines while being the most computationally efficient, with gains that persist under constraint shifts.

Poster
Unsat Core Prediction through Polarity-Aware Representation Learning over Clause-Literal Hypergraphs

Zhenchao Sun, Shuai Ma, Ping Lu, Chongyang Tao

展开摘要

Graph neural networks have been widely used in Boolean satisfiability (SAT) tasks to learn structural information from SAT formulas. The goal of these studies is to solve SAT instances or to enhance SAT solvers, including tasks such as unsat-core prediction. However, most existing approaches model a SAT formula as a bipartite graph or a directed acyclic graph, which are less direct in capturing clause-level and higher-order interactions among literals and clauses. Moreover, these approaches are limited in modeling intrinsic polarity-related properties of SAT, such as the complementary relationship between the positive and negative literals of a variable. To address these limitations, we propose a polarity-aware representation learning framework over clause-literal hypergraphs. We model SAT formulas as clause-literal hypergraphs augmented with a clause incidence graph to capture higher-order structural interactions. We then introduce a polarity-aware decomposition mechanism that separates variable representations into polarity invariant and equivariant components, explicitly modeling the relationship between positive and negative literals, with the resulting literal representations propagated along the hypergraph structure. We further incorporate a polarity-inversion consistency regularization to reinforce polarity-consistent representations during training. Experimental results on multiple SAT datasets demonstrate the effectiveness of the proposed approach.

Poster
Colorful Pinball: Density-Weighted Quantile Regression for Conditional Guarantee of Conformal Prediction

Qianyi Chen, Bo Li

展开摘要

Although conformal prediction provides robust marginal coverage guarantees, achieving reliable conditional coverage for specific inputs remains challenging. While exact distribution-free conditional coverage is impossible with finite samples, recent work has focused on improving the conditional coverage of standard conformal procedures. Distinct from approaches that target relaxed notions of conditional coverage, we directly target the mean squared error of conditional coverage by refining the quantile regression components that underpin many conformal methods. Leveraging a Taylor expansion, we derive a sharp surrogate objective for quantile regression: a density-weighted pinball loss, where the weights are given by the conditional density of the nonconformity score evaluated at the true quantile. We propose a three-headed quantile network that estimates these weights via finite differences using auxiliary quantile levels at $1-\alpha \pm \delta$, subsequently fine-tuning the central quantile by optimizing the weighted loss. We provide a theoretical analysis with exact non-asymptotic guarantees characterizing the resulting excess risk. Extensive experiments on diverse high-dimensional real-world datasets demonstrate remarkable improvements in conditional coverage performance. We release the code at \url{https://github.com/Cqyiiii/Colorful-Pinball-Conformal-Prediction-CPCP}.

Poster
Multi-Distribution Robust Conformal Prediction

Yuqi Yang, Ying Jin

展开摘要

In many fairness and distribution robustness problems, one has access to labeled data from multiple source distributions yet the test data may come from an arbitrary member or a mixture of them. We study the problem of constructing a conformal prediction set that is uniformly valid across multiple, heterogeneous distributions, in the sense that no matter which distribution the test point is from, the coverage of the prediction set is guaranteed to exceed a pre-specified level. We first propose a max-p aggregation scheme that delivers finite-sample, multi-distribution coverage given any conformity scores associated with each distribution. Upon studying several efficiency optimization programs subject to uniform coverage, we prove the optimality and tightness of our aggregation scheme, and propose a general algorithm to learn conformity scores that lead to efficient prediction sets after the aggregation under standard conditions. We discuss how our framework relates to group-wise distributionally robust optimization, sub-population shift, fairness, and multi-source learning. In synthetic and real-data experiments, our method delivers valid worst-case coverage across multiple distributions while greatly reducing the set size compared with naively applying max-p aggregation to single-source conformity scores, and can be comparable in size to single-source prediction sets with popular, standard conformity scores.

Poster
Semi-Supervised Hypothesis Testing by Betting on Predictions

Yaniv Tenzer, Elad Tolochinsky, Yaniv Romano

展开摘要

We introduce a testing-by-betting framework that leverages predictions on unlabeled data to enhance the power of sequential hypothesis testing. Given limited samples from the joint distribution of $(X,Y)$, and additional unlabeled samples from the marginal of $X$, we ask how unlabeled data can be used to hypothesize about the distribution of $Y$, and the conditional distribution of $Y\mid X$. We introduce an e-statistic and use it to construct a sequential test. Under standard distributional assumptions---label shift or concept shift---we establish that the test is anytime valid. Furthermore, we show that for binary data, the e-statistic has non-trivial power. Crucially, our approach retains these properties even when the underlying predictions are inaccurate. Through simulations and applications to large language models evaluation, we demonstrate power gains over baseline approaches, including prediction-powered inference. These gains persist even with relatively limited unlabeled data and when predictions have low accuracy due to weak correlation between $X$ and $Y$.

Poster
Causal-JEPA: Learning World Models through Object-Level Latent Masking

Heejeong Nam, Quentin Le Lidec, Lucas Maes, Yann LeCun, Randall Balestriero

展开摘要

World models require robust relational understanding to support prediction, reasoning, and control. While object-centric representations provide a useful abstraction, they are not sufficient to capture interaction-dependent dynamics. We therefore propose C-JEPA, a simple and flexible object-centric world model that extends masked joint embedding prediction from image patches to object-centric representations. By masking object-level latents and requiring each masked object state to be inferred from the surrounding context, C-JEPA imposes structured partial observability during training, creating counterfactual-like prediction queries that discourage shortcut solutions and make interaction-dependent prediction necessary under the learning objective. Empirically, C-JEPA leads to consistent gains in visual question answering, with an absolute improvement of about 20\% in counterfactual reasoning over the same architecture without object-level masking. On agent control tasks, C-JEPA enables substantially more efficient planning by using only 1\% of the total latent input features required by patch-based world models, while achieving comparable performance. Finally, we provide a formal analysis demonstrating that object-level masking induces useful inductive bias by controlling observability. Our code is available at https://github.com/galilai-group/cjepa.

Poster
Optimal Decision-Making Based on Prediction Sets

Tao Wang, Edgar Dobriban

展开摘要

Prediction sets can wrap around any ML model to cover unknown test outcomes with a guaranteed probability. Yet, it remains unclear how to use them optimally for downstream decision-making. Here, we propose a decision-theoretic framework that seeks to minimize the expected loss (risk) against a worst-case distribution consistent with the prediction set's coverage guarantee. We first characterize the minimax optimal policy for a fixed prediction set, showing that it balances the worst-case loss inside the set with a penalty for potential losses outside the set. Building on this, we derive the optimal prediction set construction that minimizes the resulting robust risk subject to a coverage constraint. Finally, we introduce Risk-Optimal Conformal Prediction (ROCP), a practical algorithm that targets these risk-minimizing sets while maintaining finite-sample distribution-free marginal coverage. Empirical evaluations on medical diagnosis and a toy static hazard-decision benchmark demonstrate that ROCP reduces critical mistakes compared to baselines, particularly when out-of-set errors are costly. The source code to reproduce our experiments is available at https://github.com/TaoWangPenn/Risk-Optimal-Conformal-Prediction.

Spotlight
GeoReward: Mitigating Contextual Variable Overestimation in Vision-Language Models for Cross-Market Preference Prediction

Shuo Liu, Huixiang Cai, Weiru Zhang, Xiaoyi Zeng

展开摘要

Vision-language models (VLMs) excel in many multimodal tasks but remain prone to a subtle yet impactful failure mode: they tend to overestimate dominant visual-textual cues while underestimating sparse but decision-critical contextual variables. This issue, which we term Contextual Variable Overestimation (CVE), becomes particularly evident in real-world applications such as predicting advertisement image preferences across diverse geographic markets. For instance, when a VLM (e.g., Qwen2-VL) is asked to choose between two product images tailored for different countries (e.g., Korea vs. France), it often defaults to a consistent output (e.g., always selects “A”), ignoring ground-truth regional variations. This collapse occurs because pervasive high-volume signals, such as product attributes and dense image patches, overwhelm the few but critical tokens that encode market-specific context (e.g., country names). To address CVE, we first collect a new multimodal dataset of real advertising creatives and their click-through performance across multiple countries. We then introduce GeoReward, a reward model designed to predict ad image preferences across diverse geographic markets. GeoReward integrates three purpose-built mechanisms: (1) Market-Aware Retrieval Augmentation, which retrieves and injects region-aligned preference signals during training to sharpen localization awareness. (2) Context-Guided Visual Modulation, a lightweight adapter that dynamically adjusts visual representations using textual country embeddings, enabling fine-grained regional adaptation. (3) Selective Sensitivity Loss, an objective that applies heightened penalties for context-specific mispredictions, sharpening the model's focus on critical variables. Furthermore, we demonstrate how GeoReward can guide the fine-tuning of RL for a VLM to generate background designs for text-to-image models (e.g., SDXL), producing market-aware advertising creatives. Experiments validate that our framework mitigates CVE and outperforms existing baselines. This work not only diagnoses a systematic bias in VLMs toward dominant perceptual features but also delivers a targeted solution for applications where sparse contextual variables govern decision-making. Code is available at https://github.com/liushuo-hue/GeoReward.git.

Poster
HEXST: Hexagonal Shifted-Window Transformer for Spatial Transcriptomics Gene Expression Prediction

Keunho Byeon, Jin Tae Kwak

展开摘要

Spatial transcriptomics offers spatially resolved gene expression profiling within tissue sections, but its cost and limited throughput hinder large-scale deployment. To extend this capability to routine practice, recent computational methods aim to infer spatial gene expression directly from ubiquitous hematoxylin and eosin-stained histology slides. However, most existing models assume Cartesian or geometry-agnostic locality, despite the hexagonal sampling of widely used spot-array platforms, and point-wise regression objectives often yield over-smoothed gene expression profiles, obscuring gene-specific spatial heterogeneity. To address these, we propose HEXST, a geometry-aligned Transformer for spatial gene expression prediction from histology. HEXST operates directly on hexagonal spot coordinates to enable efficient local-to-global contextual modeling via a tailored shifted-window attention mechanism and hexagonal rotary positional encoding. To enhance gene-wise spatial contrast, HEXST complements point-wise regression with a contrast-sensitive differential objective and transcriptomic priors from a pretrained single-cell foundation model during training. Across seven spatial transcriptomics datasets, HEXST consistently outperforms state-of-the-art models, providing accurate and robust spatial gene expression predictions while preserving gene-wise contrast and spatial heterogeneity.

Poster
Reading Between the Tokens: Improving Preference Predictions through Mechanistic Forecasting

Sarah Ball, Simeon Allmendinger, Frauke Kreuter, Niklas Kühl

展开摘要

Large language models are increasingly used to predict human preferences in both scientific and business endeavors, yet current approaches rely exclusively on analyzing model outputs without considering the underlying mechanisms. Using election forecasting as a test case, we introduce *mechanistic forecasting*, a method that demonstrates that probing internal model representations offers a fundamentally different---and sometimes more effective--- approach to preference prediction. Examining over 24 million configurations across 7 models, 6 national elections, multiple persona attributes, and prompt variations, we systematically analyze how demographic and ideological information activates latent party-encoding components within the respective models. We find that leveraging this internal knowledge via mechanistic forecasting, opposed to solely relying on surface-level predictions, can improve prediction accuracy. The effects vary across demographic versus opinion-based attributes, political parties, national contexts, and models. Our findings demonstrate that the latent representational structure of LLMs contains systematic, exploitable information about human preferences, establishing a new paradigm for using language models in social science prediction tasks.

Poster