ICML 2026 论文列表

Advancing towards artificial superintelligence requires rich and intelligent perceptual capabilities. A critical frontier in this pursuit is overcoming the limited spatial understanding of Multimodal Large Language Models (MLLMs), where geometry information is essential. Existing methods often address this by rigidly injecting geometric signals into every input, while ignoring their necessity and adding computation overhead. Contrary to this paradigm, our framework endows the model with an awareness of perceptual insufficiency, empowering it to autonomously engage geometric features in reasoning when 2D cues are deemed insufficient. To achieve this, we first introduce an independent geometry input channel to the model architecture and conduct alignment training, enabling the effective utilization of geometric features. Subsequently, to endow the model with perceptual awareness, we curate a dedicated spatial-aware supervised fine-tuning dataset. This serves to activate the model’s latent internal cues, empowering it to autonomously determine the necessity of geometric information. Experiments across multiple spatial reasoning benchmarks validate this approach, demonstrating significant spatial gains without compromising 2D visual reasoning capabilities, offering a path toward more robust, efficient and self-aware multi-modal intelligence.

Efficient prediction and planning in structured environments often relies on spectral decompositions of transition operators, yet existing grid-cell and successor-representation theories implicitly assume “flat” action geometry where translations commute and a single Fourier eigenbasis suffices. We show that this assumption breaks in the presence of path-dependent effects—e.g., circulation, rotational drift, or topological loops—whose defining signature is nontrivial holonomy. We introduce a theory of directed-action prediction on discrete tori based on twisted translation operators forming a projective representation of the underlying motion group, and prove that the resulting controlled Markov operators admit an exact block-diagonalisation under a twisted Fourier transform: actions share a universal harmonic basis while their effects appear as small matrix-valued spectra rather than scalar eigenvalues. This yields closed-form resolvent expressions for the successor representation, a gauge-invariant transfer principle characterising when two environments admit identical predictive structure, and a curvature-induced lower bound showing that nonzero holonomy provably necessitates internal representational dimension. Together, these results generalise Fourier/grid-based prediction from commutative to curved action geometries, providing a principled foundation for generalisation under directed actions without learning environment-specific eigenvectors.

Gradient-based optimization via backpropagation (BP) is inherently limited by the requirement of differentiability, rendering it inapplicable for piecewise-constant objectives with vanishing gradients (e.g., the hard 0-1 loss) or black-box feedback. While likelihood ratio (LR) methods offer a theoretical alternative, their high variance in high-dimensional spaces undermines training stability and scalability. We propose OVLR, a framework that makes direct optimization of gradient-agnostic objectives practical for modern deep networks by performing perturbations and antithetic sampling in the low-dimensional output space. OVLR achieves dramatic variance reduction while requiring only a single deterministic forward pass, with additional costs restricted to evaluating the loss function across multiple samples. On problems where BP provides gradients, OVLR remains competitive; on problems where BP fails to provide reliable learning signals, OVLR enables the direct optimization of objectives such as the 0-1 loss for noise-tolerant classification and truncated losses for outlier-resistant regression. Extensive empirical results across classification, generative modeling, language modeling, robot imitation learning, and black-box optimization confirm that OVLR is an effective tool for settings where standard gradient-based optimization is inapplicable. Code is available at https://github.com/MinhZou/OVLR.

The scalability of Large Language Models (LLMs) to long contexts is fundamentally constrained by the quadratic complexity of standard attention, motivating the adoption of linear attention mechanisms with sub-quadratic cost. To improve representation capacity under long contexts, recent approaches organize memory in a multi-state manner. However, existing multi-state linear attention methods rely on fixed state merging policies that cannot adapt to dynamically varying token importance, irreversibly obscuring critical tokens and causing severe error accumulation over long sequences. To address this limitation, we propose DLA, a dynamic memory modeling framework for multi-state linear attention. DLA introduces (i) Information-Aware Dynamic State Merging, which adaptively determines state boundaries based on token-level information variation, preserving high-resolution representations around semantic transitions while aggressively summarizing stable regions, and (ii) Capacity-Bounded Memory Modeling, which maintains a fixed-size, chronologically ordered state cache by selectively merging adjacent low-information states to control memory growth with minimal information loss. We pre-train DLA on two different linear attention models and evaluate on 10 datasets from three different aspects. Experimental results demonstrate the superiority of DLA over state-of-the-art.

The deployment of large language models (LLMs) in real-world applications is increasingly limited by their high inference cost. While recent advances in dynamic token-level computation allocation attempt to improve efficiency by selectively activating model components per token, existing methods rely on greedy routing—a myopic execute-or-skip mechanism that often leads to irreversible information loss and suboptimal token selection. This paper introduces informed routing, a new paradigm that proactively addresses these issues. The key insight is to assess not only a token’s immediate importance but also its recoverability, i.e., how well its transformation can be approximated. To this end, we propose the Lightweight Feature Forecaster (LFF), a small predictive module that estimates a unit’s output before routing decisions are made. This enables a flexible execute-or-approximate policy that preserves model fidelity while drastically reducing computation. Extensive experiments show that informed routing consistently achieves state-of-the-art performance across static and dynamic pruning approaches. We further present two practical inference pipelines: a pure-PyTorch implementation and a Triton-based custom operator, that translate these gains into real-world speedups, achieving practical acceleration and consistent improvement across various batch sizes.

Mean Field Variational Inference (MFVI) is widely understood to underestimate posterior variance. By analysing conjugate Bayesian linear regression, we show that this characterisation is incomplete: while MFVI underestimates the variance in parameter space, it can overestimate the predictive variance compared to the exact posterior. We show that if the MFVI posterior underestimates predictive variances in some directions, it necessarily overestimates them in others. Crucially, this overestimation occurs in directions where the training data concentrates. This leads to the surprising result that, for a test point drawn from the training distribution, MFVI's expected predictive variance exceeds that of the exact posterior. We demonstrate a pathological case of this effect, where the MFVI posterior fails to reduce predictive variance compared to the prior on i.i.d. data. We connect these results to the Cold Posterior Effect, arguing that varying the temperature can correct this overestimation, yielding predictions closer to those of the exact posterior. We validate our theory on synthetic and real-world regression tasks.

While spectral-based optimizers like Muon operate directly on the spectrum of updates, standard adaptive methods such as AdamW do not account for the spectral structure of weights and gradients, leaving them vulnerable to two empirical issues in large language model (LLM) training: (i) the optimizer updates can have large spectral norms, potentially destabilizing training and degrading generalization; (ii) stochastic gradient noise can exhibit sparse spectral spikes, with a few dominant singular values much larger than the rest. We propose SPECTRA, a general framework addressing these by (i) post-spectral clipping of updates to enforce spectral-norm constraints (ii) optional pre-spectral clipping of gradients to suppress spectral noise spikes. We prove that post-clipping constitutes a Composite Frank-Wolfe method with spectral-norm constraints and weight regularization. We further analyze how pre-clipping mitigates sparse spectral spikes. We propose efficient soft spectral clipping via Newton-Schulz iterations, avoiding expensive SVD. Experiments on LLM pretraining show SPECTRA uniformly improves validation loss for various optimizers, including AdamW, Signum, Mars, and AdEMAMix, with the best-performing variants achieving state-of-the-art results. Models trained with SPECTRA exhibit smaller weight norms, confirming the link between spectral clipping and regularization.

Stochastic gradient Langevin dynamics combined with Gibbs updates (SGLD-Gibbs) provides a highly scalable approach to approximate Bayesian inference in latent variable models. However, it remains unclear how to tune the algorithm's hyperparameters in a principled manner to ensure the uncertainty estimates are statistically meaningful. In this work, we address this gap in tuning guidance by developing a statistical scaling limit theory for SGLD-Gibbs. We derive a joint asymptotic limit for the global parameters and latent variables under appropriate space-time rescaling. We show that global parameters converge to a diffusion-type limit, while individual latent variables converge to a jump process reflecting their intermittent Gibbs updates. This joint jump-diffusion structure reveals how latent-variable randomness contributes to the stationary distribution of the global parameters. We leverage our results to provide explicit guidance on hyperparameter tuning for SGLD-Gibbs that ensures meaningful uncertainty quantification. Our empirical results show that SGLD-Gibbs with our tuning guidance leads to better parameter estimates and uncertainty quantification than stochastic variational inference.

Recent advances in zero-shot referring image segmentation (RIS), driven by foundation models such as SAM and CLIP, have improved cross-modal alignment between visual regions and natural language expressions. Nevertheless, selecting the correct segmentation proposal remains challenging, as existing methods typically score proposals independently and can be distracted by visually similar candidates that partially satisfy the expression. To address this limitation, we propose RefChess, a training-free contextual search framework for robust proposal selection. Instead of treating proposal selection as a single-step ranking problem, RefChess evaluates candidate masks under sampled distractor contexts and uses Monte-Carlo Tree Search as a budgeted mechanism to explore the combinatorial space of contextual perturbations. The search is guided by a stability-aware reward that integrates language decomposition, vision--language similarity, object-centric cues, and spatial guidance signals. Experiments on standard RIS benchmarks show that RefChess consistently improves robustness and referring segmentation performance without task-specific training. Code is available at \url{https://github.com/Tongshiyan/RefChess}.

Analog in-memory computing (AIMC) performs computation directly within resistive crossbar arrays, offering an energy-efficient platform to scale large vision and language models. However, non-ideal analog device properties make the training on AIMC devices challenging. In particular, its update asymmetry can induce a systematic drift of weight updates towards a device-specific symmetric point (SP), which typically does not align with the optimum of the training objective. To mitigate this bias, most existing works assume the SP is known and pre-calibrate it to zero before training by setting the reference point as the SP. Nevertheless, calibrating AIMC devices requires costly pulse updates, and residual calibration error can directly degrade training performance. In this work, we present the first theoretical characterization of the pulse complexity of SP calibration and the resulting estimation error. We further propose a dynamic SP estimation method that tracks the SP during model training, and establishes its convergence guarantees. In addition, we develop an enhanced variant based on chopping and filtering techniques from digital signal processing. Numerical experiments demonstrate both the efficiency and effectiveness of the proposed method.

While Multimodal Diffusion Transformers (MMDiTs) have achieved remarkable success in high-fidelity generation, maintaining semantic faithfulness and structural consistency during the image editing process remains a fundamental challenge. DiT-based editing is primarily limited by cumulative drift and semantic leakage induced by new textual conditions. To address these challenges, we propose T-Edit, a training-free framework that formalizes consistent editing as a trajectory anchoring process. T-Edit explicitly decouples the inversion, reconstruction, and editing trajectories, leveraging the reconstruction branch as a structural reference to achieve real-time compensation for deviations in the latent manifold. To further reveal the internal regulation mechanism of DiTs, we analyze the spatio-temporal heterogeneity of their layer-wise structural sensitivity and accordingly propose a Dynamic Vital Layer (DVL) localization mechanism based on information energy. Furthermore, addressing the asymmetry of textual perturbations in the frequency domain distribution, we introduce a frequency-aware strategy based on tensor Singular Value Decomposition (t-SVD) to anchor (TA) high-rank structural components. Experiments show that T-Edit achieves state-of-the-art performance in both semantic alignment and structural fidelity, and can be seamlessly extended to multi-step editing and video scenarios, providing a new perspective for understanding and controlling the internal stability of DiTs.

Evolutionary algorithms for adversarial attacks leverage population-based search to discover perturbations without gradient information, but suffer from inefficient crossover operations that destroy adversarial properties through discrete interpolation. We introduce Mode Connectivity Evolutionary Attack (MoCo-EA), which replaces traditional crossover with a novel Bézier crossover operator that optimizes perturbations along a continuous Bézier curve between parent perturbations. Our key insight is that adversarial examples lie on connected manifolds where intermediate points maintain and often enhance attack effectiveness. We demonstrate three findings: (1) Successful adversarial perturbations exhibit mode connectivity; (2) Intermediate points along optimized paths achieve higher transferability than endpoints; (3) Bézier crossover dramatically outperforms discrete genetic operations while reducing convergence time and query requirements. By exploiting the geometric structure of adversarial space through path optimization, MoCo-EA provides an efficient and reliable method. Our work challenges the traditional view of adversarial examples as isolated points and opens new directions for both attack generation and defense research.

We study multi-objective optimization over probability distributions in Wasserstein space. Recently, Nguyen et al. (2025) introduced Multiple Wasserstein Gradient Descent (MWGraD) algorithm, which exploits the geometric structure of Wasserstein space to jointly optimize multiple objectives. Building on this approach, we propose an accelerated variant, A-MWGraD, inspired by Nesterov's acceleration. We analyze the continuous-time dynamics and establish convergence to weakly Pareto optimal points in probability space. Our theoretical results show that A-MWGraD achieves a convergence rate of $\mathcal{O}(1/t^2)$ for geodesically convex objectives and $\mathcal{O}(e^{-\sqrt{\beta}t})$ for $\beta$-strongly geodesically convex objectives, improving upon the $\mathcal{O}(1/t)$ rate of MWGraD in the geodesically convex setting. We further introduce a practical kernel-based discretization for A-MWGraD and demonstrate through numerical experiments that it consistently outperforms MWGraD in convergence speed and sampling efficiency on multi-target sampling tasks.

Recent progress in text-to-image (T2I) diffusion models (DMs) has enabled high-quality visual synthesis from diverse textual prompts. Yet, most existing T2I DMs, even those equipped with large language model (LLM)-based text encoders, remain text-pixel mappers -- they employ LLMs merely as text encoders, without leveraging their inherent reasoning capabilities to infer what should be visually depicted given the textual prompt. To move beyond such literal generation, we propose the think-then-generate (T2G) paradigm, where the LLM-based text encoder is encouraged to reason about and rewrite raw user prompts; the states of the rewritten prompts then serve as diffusion conditioning. To achieve this, we first activate the think-then-rewrite pattern of the LLM encoder with a lightweight supervised fine-tuning process. Subsequently, the LLM encoder and diffusion backbone are co-optimized to ensure faithful reasoning about the context and accurate rendering of the semantics via Dual-GRPO. In particular, the text encoder is reinforced using image-grounded rewards to infer and recall world knowledge, while the diffusion backbone is pushed to produce semantically consistent and visually coherent images. Experiments show substantial improvements in factual consistency, semantic alignment, and visual realism across reasoning-based image generation and editing benchmarks, achieving 0.79 on WISE score, nearly on par with GPT-4. Our results constitute a promising step toward next-generation unified models with reasoning, expression, and demonstration capacities.

Visual Mamba models have recently emerged as alternatives to Vision Transformers (ViTs), which suffer from quadratic complexity. While the recurrent scanning mechanism of Mamba offers computational efficiency, it inherently limits non-causal interactions between image patches. Prior works have attempted to address this limitation through various multi-scan strategies; however, these approaches suffer from inefficiencies due to suboptimal scan designs and frequent data rearrangement. Moreover, Mamba exhibits relatively slow computational speed under short token lengths, commonly used in visual tasks. In pursuit of a truly efficient vision encoder, we rethink the scan operation for vision and the computational efficiency of Mamba. To this end, we propose SF-Mamba, a novel visual Mamba with two key proposals: auxiliary patch **swapping** for encoding bidirectional information flow under an unidirectional scan and batch **folding** with periodic state reset for advanced GPU parallelism. Extensive experiments on image classification, object detection, and instance and semantic segmentation consistently demonstrate that our proposed SF-Mamba significantly outperforms state-of-the-art baselines while improving throughput across different model sizes. The source code is available at: https://github.com/sony/SF-Mamba.

Machine Learning surrogates for Computational Fluid Dynamics (CFD), particularly Graph Neural Networks (GNNs) and Transformers, have become a new important approach for accelerating physics simulations. However, we identify a critical bottleneck in the field: while architectures have advanced significantly, the common underlying training paradigms remain bound to naive assumptions, such as node-wise supervision and explicit Euler time-stepping. These legacy choices ignore the stiff dynamics and local flux continuity inherent to numerous partial differential equations resolution methods, such as Finite Element, Difference, or Volume (FEM). In this work, we propose a unified framework to bridge the gap between geometric deep learning and rigorous numerical analysis. We introduce three key innovations: (1) Multi Node Prediction, a stencil-level objective that predicts field values for a node's full local topology, enforcing spatial derivative consistency; (2) Temporal Correction, replacing unstable explicit schemes with a predictor–corrector via temporal Cross-Attention; and (3) Geometric Inductive Biases, leveraging 3D Rotary Positional Embeddings (RoPE) to robustly capture rotational symmetries in unstructured meshes. We evaluate this framework across three architectures (MeshGraphNet, Transolver, and a Transformer) on diverse physics datasets. Our approach yields consistent improvements in accuracy and stability, particularly in long-horizon rollouts, while producing latent representations that generalize to unseen subtasks such as Wall Shear Stress or Pressure prediction. Code is available at \url{https://github.com/DonsetPG/graph-physics}.

Prompt optimization is a key way to steer large language models when fine-tuning is impractical. However, instruction optimization (IO) and in-context learning (ICL) demonstration selection are often optimized separately and combined post hoc, implicitly assuming that a "best'' instruction and a "best" demonstration set compose well. In practice, their interactions are strong, making such decoupled pipelines brittle. We propose SMILE, an efficient method that *jointly* selects instructions and demonstrations. Our key observation is that the ICL performance exhibits consistent diminishing returns across diverse instructions. Leveraging this structure, SMILE learns an instruction-conditioned surrogate aligned with LLM feedback and instantiates it as an Extended Deep Submodular Function that captures sample--sample coverage, sample--query relevance, and sample--instruction compatibility. SMILE then performs greedy, query-adaptive selection of the instruction--demonstration pair. Experiments on six datasets and multiple LLM backbones show that SMILE consistently outperforms IO-only, ICL-only, and existing joint baselines, supporting a context engineering view of prompting: jointly optimizing interacting components rather than tuning them in isolation.

Federated Learning (FL) often suffers from sacrificing global model accuracy when improving client-level fairness due to data heterogeneity, which often leads to inconsistent performance of the globally trained models, resulting in unfair outcomes among users. Existing fair FL algorithms face a bottleneck: they either sacrifice global model accuracy to promote fairness or fall short of achieving optimal fairness. In this paper, we propose a novel framework that effectively improves fairness while preserving global accuracy by integrating information-theoretic principles with model alignment. Specifically, we leverage the Maximum Entropy Principle to derive an analytic, closed-form solution for fair aggregation weights, ensuring significant fairness enhancements. We further employ a step-wise model alignment strategy that synchronizes gradient directions across heterogeneous clients, effectively mitigating the drift induced by local updates. Theoretical analysis proves that our method guarantees convergence even in non-convex settings. Importantly, we push the theoretical frontier of federated fairness by extending performance variance analysis to generalized regression, providing broader guarantees. Extensive experiments on five datasets demonstrate that our approach consistently outperforms state-of-the-art methods, achieving superior fairness without sacrificing global accuracy. Our code is available at \href{https://github.com/T-Lab-CUHKSZ/FedEBA-Plus}{https://github.com/T-Lab-CUHKSZ/FedEBA-Plus}.

Domain adaptation theory studies upper bounds on the target risk in order to mitigate performance loss of machine learning models due to distribution shift. In this paper, we take a closer look at the optimization of one such bound based on optimal transport (OT) and propose various strategies that improve the optimization in practice. We first introduce *gradual shift* and *probabilistic margin* assumptions to control the incomputable entanglement term that appears in the bounds. We prove that under these assumptions, better optimization of the computable part of the bound can translate to better target accuracies. Motivated by this fact, we tighten the bound, via importance weighting of the source (output) distribution, to obtain the *weighted* Wasserstein regularized risk ($\mathrm{W}^2\mathrm{R}^{2}$), that is often easier to minimize than the original bound. $\mathrm{W}^2\mathrm{R}^{2}$ is shown to be equivalent to an unbalanced OT problem, which in the limit converges to a nearest neighbor based alignment strategy. We highlight the tradeoffs faced with such an approach and show that a suitably regularized $\mathrm{W}^2\mathrm{R}^{2}$ improves over the state of the art and is robust to multiple distribution shifts under different models, confirming, moreover, the validity of our assumptions.