ICML 2026 Papers

Vision-Language Models (VLMs) perform well on commonsense reasoning tasks but struggle with visual spatial reasoning. Most existing solutions introduce extra 3D prior inputs or external spatial encoders, which increase complexity and degrade the underlying VLMs' general-purpose capabilities after spatial fine-tuning. To this end, we propose a parameter-efficient \textit{\textbf{Spatio}-vision \textbf{L}anguage \textbf{M}odels (SpatioLM)}, that enhances spatial intelligence without extra 3D prior inputs or third-party spatial encoders. Concretely, we design a plug-and-play and non-invasive spatio-vision module that elicits the spatial knowledge inherent in VLMs. Furthermore, we innovatively leverage pseudo depth and camera information as supervision to guide the model in learning physically coherent representations. Extensive experiments show that SpatioLM achieves significant improvements in diverse tasks, including spatial perception and understanding while effectively limiting the degradation of general capabilities. Notably, the model achieves an impressive score of 71.6 on the VSI-Bench (the first model to surpass 70). In addition, it attains competitive performance when transferred to embodied manipulation tasks.

Extensive-form games (EFGs) provide a powerful framework for modeling sequential decision making, capturing strategic interaction under imperfect information, chance events, and temporal structure. Most positive algorithmic and theoretical results for EFGs assume perfect recall, where players remember all past information and actions. We study the increasingly relevant setting of imperfect-recall EFGs (IREFGs), where players may forget parts of their history or previously acquired information, and where equilibrium computation is provably hard. We propose sum-of-squares (SOS) hierarchies for computing ex-ante optimal strategies in single-player IREFGs and Nash equilibria in multi-player IREFGs, working over behavioral strategies. Our theoretical results show that (i) these hierarchies converge asymptotically, (ii) under genericity assumptions, the convergence is finite, and (iii) in single-player non-absentminded IREFGs, convergence occurs at a finite level determined by the number of information sets. Finally, we introduce the new classes of (SOS)-concave and (SOS)-monotone IREFGs, and show that in the single-player setting the SOS hierarchy converges at the first level, enabling equilibrium computation with a single semidefinite program (SDP).

Multi-objective protein design is essential for meeting the complex demands of synthetic biology. To adapt to shifting multi-functional targets without the prohibitive cost of retraining, test-time scaling has emerged as a flexible, training-free alternative. However, current test-time diffusion methods face critical challenges: i) ineffective learning from interaction history leading to repetitive design errors, ii) over-reliance on successful cases as the reward signal, and iii) difficulties in balancing multi-objective functional trade-offs . To address these limitations, we propose MoMST, a framework for Multi-objective protein design via Memory-aware Self-contrastive learning with Test-time scaling in diffusion models. At test time, we develop a memory bank to extract generalizable reasoning experience from historical iterations. Building on this powerful experience learner, we derive rich residue-level relative preference signals from both successful and failed cases via self-contrastive learning for guiding protein generation. To ensure balance among competing multi-objective functions, we present an inference-time Pareto alignment strategy to resolve objective conflicts. Evaluations on both single-objective and complex multi-objective tasks demonstrate the remarkable performance of MoMST, with code available at https://github.com/MingYangi/MoMST.

New AI accelerators with novel instruction set architectures (ISAs) often require developers to manually craft low-level kernels — a time-consuming and error-prone process that does not scale across hardware targets. This delays emerging hardware platforms from reaching the market. While prior LLM-based code generation has shown promise in mature GPU ecosystems, it remains unclear whether agentic LLM systems can quickly produce valid and efficient kernels for emerging hardware with new ISAs. We present KernelCraft: the first benchmark for evaluating an LLM agent's ability to generate and optimize low-level kernels for customized accelerators through a function-calling, feedback-driven workflow. We evaluate agent performance across three emerging accelerators on more than 20 machine-learning tasks, each with five diverse task configurations. Across four leading reasoning models, the strongest agents generate functionally correct kernels for unseen ISAs within a few refinement steps, and produce optimized kernels that match or outperform compiler baselines. These results demonstrate KernelCraft's potential to accelerate the accelerator chip development cycle. KernelCraft is available at https://kernelcraft-cam.github.io/.

Neural scaling laws relate loss to model size in large language models (LLMs), yet depth and width may contribute to performance differently, requiring more detailed studies. Here, we quantify how depth affects loss via analysis of LLMs and toy residual networks. We find loss scales inversely proportional to depth in LLMs, probably due to functionally similar layers reducing error through ensemble averaging rather than compositional learning or discretizing smooth dynamics. This regime is inefficient yet robust and may arise from the architectural bias of residual networks and target functions incompatible with smooth dynamics. The findings suggest that improving LLM efficiency may require architectural innovations to encourage compositional use of depth.

Large language models (LLMs) inevitably encounter distribution shifts during real-world deployment, leading to performance degradation. Although test-time learning (TTL) adapts LLMs from unlabeled test streams, applying entropy minimization to autoregressive generation faces two challenges: (i) early decoding errors can steer later tokens off track, and updating on them can push the model further off course, and (ii) updates on unreliable tokens can amplify confident error predictions and trigger model collapse. To address these challenges, we propose Future-Gain Guided Test-Time Learning (FG-TTL) for LLMs, which learns selectively from the model's own generations. Our key idea is to update only on tokens that reduce uncertainty in subsequent generation rather than tokens that are merely uncertain at the current step. Specifically, we develop a Future-Gain Guided Token Selection (FTS) strategy to decide where to learn. We introduce Future-Gain as a token-level metric for this purpose and update the model only on high-gain tokens, concentrating learning on informative positions and mitigating temporal error propagation. In addition, we design a Risk-Aware Adaptation (RAA) mechanism that controls how strongly to update by combining gain-based weighting with adaptive temperature scaling based on intrinsic uncertainty, suppressing unreliable gradients while enabling stronger learning on high-gain tokens. Experiments on six benchmarks with three LLM backbones show that FG-TTL achieves the best average performance.

The rapid advancement of large language models (LLMs) has led to remarkable performance across diverse domains, making them indispensable assistants in daily life and work. Currently, LLM services are primarily accessed in two ways: (i) paid access to cloud-hosted LLMs, which are powerful but introduce nontrivial cost; and (ii) deployment of small language models (SLMs) on personal devices or small clusters, which, while less powerful, are sufficient for handling relatively simple tasks. To achieve a balanced trade-off between monetary cost and task performance, we propose Selective Deferred Routing, a paradigm that enables cost-efficient collaboration between local SLMs and remote LLMs. In this framework, a user request is first processed by the local SLM, which not only generates a preliminary response but also provides rich semantic representations of the request. A lightweight decision module then leverages this information to either adopt the initial response or route the request to the most suitable remote LLM for a higher-quality response. Extensive experiments across diverse model architectures and families, including both SLMs and LLMs, as well as datasets spanning multiple task scenarios, demonstrate that our approach consistently outperforms existing multi-LLM collaboration methods under a wide range of cost–performance trade-offs.

We propose LoRA-MCL, a training scheme that extends next-token prediction in language models with a method designed to decode diverse, plausible sentence continuations at inference time. Traditional language modeling is an intrinsically ill-posed problem: given a context, multiple ``futures'' may be equally plausible. Our approach leverages Multiple Choice Learning (MCL) and the winner-takes-all loss to efficiently handle ambiguity through Low-Rank Adaptation. We provide a theoretical interpretation of applying MCL to language modeling, assuming the data is generated from a mixture of distributions. We illustrate the proposed approach using mixtures of Markov chains. We then demonstrate with experiments on audio and visual captioning, as well as machine translation, that our method achieves high diversity and relevance in generated outputs. We release the code for applying LoRA-MCL to a wide range of language models.

Mechanistic interpretability aims to understand how neural networks generalize beyond their training data by reverse-engineering their internal structures. We introduce patterning as the dual problem: given a desired form of generalization, determine what training data produces it. Our approach is based on susceptibilities, which measure how posterior expectation values of observables respond to infinitesimal shifts in the data distribution. Inverting this linear response relationship yields the data intervention that steers the model toward a target internal configuration. We demonstrate patterning in a small language model, showing that re-weighting training data along principal susceptibility directions can accelerate or delay the formation of structure, such as the induction circuit. In a synthetic parentheses balancing task where multiple algorithms achieve perfect training accuracy, we show that patterning can select which algorithm the model learns by targeting the local learning coefficient of each solution. These results establish that the same mathematical framework used to read internal structure can be inverted to write it.

Features of the same sample generated by different pretrained models often exhibit inherently distinct feature distributions. Learning invariant representations from large-scale unlabeled visual data in a fully unsupervised transfer manner remains a significant challenge. In this paper, we propose a multiview self-representation learning (MSRL) method in which invariant representations are learned by exploiting the self-representation property of features across heterogeneous views. The features are derived from large-scale unlabeled visual data through transfer learning with various pretrained models and are referred to as heterogeneous multiview data. We introduce an information-passing mechanism that relies on self-representation learning to support feature aggregation over the outputs of the linear model. Moreover, an assignment probability distribution consistency scheme is presented to guide multiview self-representation learning by exploiting complementary information across different views. Consequently, representation invariance across different linear models is enforced through this scheme. Additionally, we provide a theoretical analysis of the assignment probability distribution consistency and the incremental views. Extensive experiments demonstrate that the proposed MSRL method consistently outperforms several state-of-the-art approaches.

In multi-target regression and multi-class classification, uncertainty is inherently multivariate: prediction regions must capture joint dependencies across correlated outputs. Conformal prediction provides distribution-free guarantees, yet extending it to vector-valued outputs remains challenging—scalar aggregation discards geometric structure, while optimal transport (OT) approaches are computationally demanding and sensitive to outliers. We introduce two conformal methods based on geometric quantiles and spatial ranks: Geometric Conformalized Quantile Regression (GCQR) constructs prediction regions from learned conditional geometric quantiles, while Geometric Rank Conformal Prediction (GRCP) uses the radial rank of vector-valued conformity scores as the nonconformity measure. We propose multiple estimators offering different tradeoffs between computational cost and adaptivity to feature-dependent heterogeneity, with scalable learning via partially input-convex neural networks. On multi-target regression and multi-class classification benchmarks, GCQR and GRCP attain near-nominal coverage with consistently tighter prediction regions than scalarized and multivariate baselines.

As large language models are increasingly deployed in high-stakes settings, there is a growing need for tools that audit not only model outputs but also the internal computations that produce them. Circuit analysis is a central approach in mechanistic interpretability, but it is typically target-conditioned, explaining a single prompt paired with a chosen completion. This target-conditioned setup can obscure heterogeneity across a model's continuation distribution. We introduce distribution-level unsupervised feature discovery, which clusters sampled continuations using both semantic content and sequence-level mechanistic attributions, without manually specifying target outputs. Our method represents each continuation with a semantic embedding and a prefix-to-continuation attribution signature, then optimizes a rate-distortion objective that trades off semantic coherence, mechanistic consistency, and cluster granularity. Across clustering and steering analyses, the discovered clusters expose continuation modes that single-view baselines miss and provide interventional evidence that cluster signatures correspond to actionable mechanistic factors. Overall, our approach complements circuit analysis and behavioral evaluation by providing a scalable audit of the mechanisms underlying a model’s continuation distribution.

Multiple-choice question (MCQ) benchmarks have been a standard evaluation practice for measuring LLMs' ability to reason and answer knowledge-based questions. Through a synthetic NonsenseQA benchmark, we observe that different LLMs exhibit varying degrees of label-position-few-shot-prompt bias, where the model either uses the answer position, the label in front of the answer, the distributions of correct answers present in the few-shot prompt, or a combination of all to answer each MCQ question. We propose a simple bias-reduced evaluation protocol that replaces the labels of each question with uniform, unordered labels and prompts the LLM to use the whole answer presented. With a simple sentence similarity model, we demonstrate improved robustness and lower standard deviation between different permutations of answers with a minimal drop in the LLM's performance, exposing the LLM's capabilities under reduced evaluation artifacts, without any help from the prompt examples or the option labels. Across multiple benchmarks and models, this protocol substantially improves the robustness to answer permutations, reducing mean accuracy variance $3\times$ with only a minimal decrease in the model's mean performance. Through ablation studies on various embedding models and similarity functions, we show that the method is more robust than the standard ones.

Visual Autoregressive (VAR) modeling departs from the next-token prediction paradigm of traditional Autoregressive (AR) models through next-scale prediction, enabling high-quality image generation. However, the VAR paradigm suffers from sharply increased computational complexity and running time at large-scale steps. Although existing acceleration methods reduce runtime for large-scale steps, but rely on manual step selection and overlook the varying importance of different stages in the generation process. To address this challenge, we present FasterVAR, a systematic study and plug-and-play acceleration framework for VAR models. Our analysis shows that early steps are critical for preserving semantic and structural consistency and should remain intact, while later steps mainly refine details and can be pruned or approximated for acceleration. Building on these insights, FasterVAR introduces a plug-and-play acceleration strategy that exploits semantic irrelevance and low-rank properties in late-stage computations, without requiring additional training. Our proposed FasterVAR achieves up to 3.4× speedup with almost no performance loss, consistently outperforming existing acceleration baselines. These results highlight stage-aware design as a powerful principle for efficient visual autoregressive image generation. Code: https://github.com/sen-mao/FasterVAR

Traditional comorbidity scores (e.g., Charlson and Elixhauser) are widely used for risk adjustment and patient stratification, but they have two key limitations: (i) they are largely mortality-centric and do not align well with other clinical outcomes, and (ii) their linear, rule-based structure cannot capture nonlinear, outcome-specific risk relationships. We propose a Machine-Learned Comorbidity Index (MLCI) that maps diagnosis codes to a single scalar by maximizing the normalized Hilbert–Schmidt Independence Criterion (nHSIC) between the learned score and multiple clinical outcomes. MLCI captures nonlinear risk–outcome dependence and is supported by a theory that characterizes when a unified, informative admission-level ordering can be achieved across outcomes. Empirical results on multiple benchmark electronic health record (EHR) datasets show that MLCI outperforms strong baselines across multiple evaluation metrics.

We propose a novel algorithm that accelerates optimal transport by exploiting intrinsic symmetries induced by finite group actions. The core of our approach is to recover the orbit decomposition and the associated algebraic structure directly from the cost matrix—without requiring prior knowledge of the group—and to reduce the original transport problem to a substantially smaller problem on the orbit space. This reduction preserves optimality while achieving a significant drop in computational complexity. We develop efficient solvers for two central classes of optimal transport: linear OT and entropy-regularized OT. Experiments on synthetic data, real-world image datasets, and molecular graph data confirm the efficiency and robustness of the method. To our knowledge, this work is the first to systematically incorporate symmetry groups into optimal transport, providing both a theoretical framework and a practical pathway to computational acceleration.

The Mamba model has gained significant attention for its computational advantages over Transformer-based models, while achieving comparable performance across a wide range of language tasks. Like Transformers, Mamba exhibits in-context learning (ICL) capabilities, i.e., making predictions for new tasks based on a prompt containing input-label pairs and a query, without requiring fine-tuning. Despite its empirical success, the theoretical understanding of Mamba remains limited, largely due to the nonlinearity introduced by its gating mechanism. To the best of our knowledge, this paper presents the first theoretical analysis of the training dynamics of a one-layer Mamba model, which consists of a linear attention component followed by a nonlinear gating layer, and its ICL generalization on unseen binary classification tasks, even when the prompt includes additive outliers. Our analysis shows that Mamba leverages the linear attention layer to select informative context examples and uses the nonlinear gating layer to suppress the influence of outliers. By establishing and comparing to the analysis of linear Transformers under the same setting, we show that although Mamba may require more training iterations to converge, it maintains accurate predictions even when the proportion of outliers exceeds the threshold that a linear Transformer can tolerate. These theoretical findings are supported by empirical experiments.

Conformal Prediction (CP) has emerged as a powerful statistical framework for reliable classification, which generates a prediction set, guaranteed to include the true label with a pre-specified probability. The performance of CP methods is typically assessed by their average prediction set size. In setups where the classes can be partitioned into semantic groups, e.g., based on shared downstream actions or more interpretable coarse labels, users can benefit from prediction sets that are not only small but also contain a limited number of groups. This paper begins by addressing this problem and ultimately offers a widely applicable tool for boosting any CP method on any dataset. First, given a class partition, we propose augmenting the CP score function with a term that penalizes predictions with "out-of-group" errors. We theoretically analyze this strategy and prove its advantages for group-related metrics. Surprisingly, we show mathematically that, for common class partitions, it can also reduce the average set size of *any* CP score function. Our analysis reveals the class-similarity factors behind this improvement and motivates a variant that can further reduce prediction set size by leveraging the model's embeddings, *without requiring any human semantic partition*. Finally, we present an extensive empirical study, encompassing prominent CP methods, multiple models, and several datasets, which demonstrates that our class-similarity-based approach consistently enhances CP methods.

Recommendation systems seek to accurately model user preferences from a large set of candidate items. Graph neural networks (GNNs) have emerged as a dominant approach in this domain due to their ability to capture high-order user–item interactions. Recent efforts have aimed to enhance GNN-based representation learning by incorporating the semantic reasoning capabilities of large language models (LLMs). However, existing methods often process graph structural information and LLM-derived semantic knowledge separately, creating a supervisory gap between structural proximity and semantic relevance. To bridge this gap, we propose CCLRec, a consensus-driven contrastive learning framework for recommendation. CCLRec deeply integrates structural and semantic information by identifying consistent signals. Specifically, we first use an LLM to extract semantic representations of items and to sample candidate positive/negative sets in the semantic space. We then introduce a structural–semantic consensus mining strategy that computes the intersection between a node’s structural neighbors in the graph and its semantically similar items. This allows us to identify high-confidence positive pairs endorsed by both collaborative filtering patterns and LLM-based reasoning. By centering contrastive learning on these consensus pairs and applying a weight-aware reinforcement mechanism during training, CCLRec significantly amplifies the contribution of high-quality consensus features during training. Experiments across multiple public benchmarks show that CCLRec consistently outperforms state-of-the-art methods on key metrics, demonstrating the effectiveness of our consensus-aware design.