ICML 2026 Papers

This paper addresses the critical challenges of hyperparameter tuning and communication efficiency in federated learning (FL). Despite recent advancements in parameter-free FL algorithms such as PAdaMFed, significant communication overhead remains a major obstacle to their practical deployment. To tackle these challenges, we propose a novel communication-efficient parameter-free FL algorithm ParFreFL that halves the communication requirements of PAdaMFed while preserving its parameter-free property. Building on this foundation, we introduce a compressed variant, ComParFreFL, which unifies the momentum increment and error feedback into a single parameter, effectively handling biased compression while maintaining the minimal communication cost. Notably, ComParFreFL also operates independent of the compression ratio, representing the first instance of such robustness in the compressed FL literature to our knowledge. Theoretically, our methods are proven to handle arbitrary data heterogeneity, partial client participation, and achieve linear speedup with respect to both local updates and participating clients. Extensive empirical evaluations demonstrate that our approaches match or slightly surpass the performance of carefully tuned alternatives while significantly reducing communication overhead, making FL more accessible and deployable in dynamic, resource-constrained environments.

The performance of pre-trained masked diffusion models is often constrained by their sampling procedure, which makes decisions irreversible and struggles in low-step generation regimes. We introduce a novel sampling algorithm that works with pre-trained models and, after a lightweight fine-tuning of a single layer, significantly improves sample quality and efficiency. Our method reformulates the generation process using a star-shaped paradigm, which inherently allows for error correction. To make this process effective, we augment it with a learnable remasking module that intelligently identifies and revises likely errors. This approach yields a substantial quality boost, particularly when using a small number of sampling steps. We extensively ablate key components of our approach and show its usability in different scenarios. In experiments on text, and code generation, our sampling algorithm outperforms or matches existing methods. Code is available at https://github.com/EgorShibaev/G-Star.

High-fidelity vehicle aerodynamics analysis is bottlenecked by costly CFD simulations. Neural surrogates accelerate prediction but lack inverse design capabilities, while existing generative optimization methods suffer from unstable convergence and frequent engineering constraint violations. We present UniDrag, a unified framework bridging multi-field aerodynamic prediction with robust differentiable shape optimization. Given a vehicle geometry, UniDrag predicts surface pressure, volume flow fields, drag coefficient $C_d$, and a streamwise build-up profile localizing drag contributions. Our architecture combines enhanced Physics-Sliced Attention (ePSA), Gated Expert Routing, and Modality-Protected Learning to prevent negative transfer across output modalities. At deployment, the frozen surrogate enables gradient-based optimization via Free-Form Deformation with engineering constraints. We introduce Expectation-over-Transformation to prevent adversarial exploitation of surrogate fragility. We curate a large-scale dataset of 15,000 vehicle geometries spanning four body types with GPU-accelerated LBM simulations. On this benchmark, UniDrag achieves $C_d$ prediction $R^2$ of 0.937 (+7.6\% over baselines) and 13.7\% mean CFD-verified drag reduction with 100\% success rate and only 21.3~mm average displacement (0.46\% vehicle length).

The effectiveness of unlabeled data in Semi/Self-Supervised Learning (SSL) depends on appropriate assumptions for specific scenarios, thereby enabling the selection of beneficial unsupervised pretext tasks. However, existing research has paid limited attention to assumptions in SSL, resulting in practical situations where the compatibility between the unsupervised pretext tasks and the target scenarios can only be assessed after training and validation. This paper centers on the assumptions underlying unsupervised pretext tasks and explores the feasibility of preemptively estimating the impact of unsupervised pretext tasks at low cost. Through rigorous derivation, we show that the impact of unsupervised pretext tasks on target performance depends on three factors: assumption learnability with respect to the model, assumption reliability with respect to the data, and assumption completeness with respect to the target. Building on this theory, we propose a low-cost estimation method that can quantitatively estimate the actual target performance. We build a benchmark of over one hundred pretext tasks and demonstrate that our estimated performance strongly correlates with the actual performance obtained through large-scale training and validation.

Grounding Large Language Models (LLMs) in Knowledge Graphs (KGs) has shown significant promise for complex Question Answering (QA) tasks. Since LLMs' limited context window cannot accommodate the sheer volume of large-scale KGs, existing work usually utilizes agents to reason on real-world KGs, which follows reasoning paths derived from the queries step by step. However, the mismatch between query-derived paths and the KG's structure, stemming from users' lack of schema knowledge, usually leads the agents into dead ends. To address this problem, in this paper, we propose Backjump-on-Graph (BoG), a novel framework that empowers LLMs to retrospectively explore alternative reasoning paths at dead ends. We first propose to formalize each reasoning step with four atomic operations to create a structural scaffold that allows LLMs to revert to historical status. Next, we fine-tune the LLM with synthetic data containing the above atomic operations to instill basic backjump abilities. Finally, we leverage reinforcement learning and propose a hybrid reward function, which penalizes redundant transitions and promotes correct answers, to optimize the timing and landing nodes of backjumping. Extensive experiments on several KGQA benchmark datasets demonstrate the effectiveness of our BoG method.

Parameter-efficient continual learning aims to adapt pre-trained models to sequential tasks without forgetting previously acquired knowledge. Most existing approaches treat continual learning as avoiding interference with past updates, rather than considering what properties make the current task-specific update naturally preserve previously acquired knowledge. From a knowledge-decomposition perspective, we observe that low-rank adaptations exhibit highly imbalanced singular value spectra: a few dominant components absorb most of the adaptation energy, thereby (i) more likely to disrupt previously acquired knowledge and (ii) making the update more vulnerable to interference from subsequent tasks. To enable explicit balance among components, we decouple the *magnitude* of the task update from its *directional structure* and formulate it as a constrained optimization problem on a restricted Stiefel manifold. We address this problem using a projected first-order method compatible with standard deep-learning optimizers used in vision-language models. Our method mitigates both backward and forward forgetting, consistently outperforming continual learning baselines. Source code is available in supplementary material.

Oscillatory neural signals such as electroencephalography (EEG) and local field potentials (LFPs) show phase relationships that coordinate communication across brain regions. Modern recordings capture hundreds of channels across many frequency bins, yet standard phase analyses are restricted to only a few variables. The Torus Graph (TG) model, an exponential-family distribution over phases whose univariate and pairwise potentials generalize von Mises distributions, infers principled structure among oscillations but models only static, undirected dependencies and is limited to $\sim \! 100$ variables because its score matching inference scales as $\mathcal{O}(d^{6})$. We introduce a stochastic score matching procedure that reduces the per-iteration cost to $\mathcal{O}(d^{2})$, enabling inference on datasets with thousands of variables. This scalable foundation supports analyses of 1,860 frequency-phase features from multi-electrode LFPs and enables two extensions previously inaccessible to TGs or classical circular statistics: (i) a TG Hidden Markov Model capturing state-dependent phase-coupling changes (e.g., spindle-related states during sleep) and (ii) an autoregressive TG inferring directional interactions via transfer-entropy estimation. Applied to LFP recordings, these models reveal state-dependent phase-interaction patterns between wakefulness and NREM sleep. Together, they enable systematic, large-scale mapping of dynamic and directional phase relationships across brain and cognitive states.

LLM-based multi-agent simulations are increasingly adopted across application domains, but remain difficult to scale due to GPU memory pressure. Each agent maintains private GPU-resident states, including models, prefix caches, and adapters, which quickly exhaust device memory as the agent count grows. We identify two key properties of these workloads: sparse agent activation and an estimable agent invocation order. Based on an analysis of representative workload classes, we introduce invocation distance, a unified abstraction that estimates the relative order in which agents will issue future LLM requests. Leveraging this abstraction, we present ScaleSim, a memory-efficient LLM serving system for large-scale multi-agent simulations. ScaleSim enables proactive prefetching and priority-based eviction, supports diverse agent-specific memory through a modular interface, and achieves up to 1.74$\times$ speedup over SGLang on simulation benchmarks. ScaleSim's source code is available at https://github.com/PanZaifeng/KVFlow.

Data Assimilation (DA) aims to integrate observations with model forecasts to estimate the state of dynamical systems. Despite the widespread application of diffusion-based assimilation methods, they remain constrained by the high dimensionality of atmospheric states and the reliance on imperfect state-observation mappings. This leaves regions lacking observations spatially unconstrained, leading to severe error accumulation and physical inconsistency.. In this paper, we propose LoPhyDA, a diffusion assimilation algorithm dual-guided by low-rank tensor and physical gradients. By leveraging the low-rank property of meteorological field, we employ tensor completion to exploit spatial continuity and dynamic correlations, reconstructing a globally informative dense field from sparse observations to serve as a global prior. This approach mitigates the information deficit inherent in sparse settings. The framework further incorporates physical constraints into the iterative denoising process, utilizing Partial Differential Equation (PDE) residual gradients to rectify the generative trajectory in real-time. Experimental results demonstrate that LoPhyDA outperforms state-of-the-art generative assimilation models in global weather prediction. It achieves robust and physically consistent assimilation, significantly reducing error accumulation in regions lacking observations.

State abstraction plays a key role in scaling reinforcement learning to complex but structured systems. In studying such systems, a wide range of behavioral structures have been studied in reinforcement learning, including value functions, invariants, bisimulation relations, and behavioral metrics. However, a general principle for determining what structures are provably preserved under state abstraction is still lacking. In this paper, we present a unified framework for defining and analyzing behavioral structures in reinforcement learning. Our framework provides a compositional way to specify behavioral semantics based on local, one-step descriptions of system dynamics. Using this framework, we establish results showing how behavioral structures can be safely transferred between abstract and concrete systems. We further show how to construct quantitative metrics from logical behavioral semantics with soundness guarantees. Together, these results provide a principled foundation for reasoning about behaviors under state abstraction in reinforcement learning and offer reusable definition and proof principles for a broad class of behavioral structures in reinforcement learning.

Learning-based whole-body controllers have become a key driver for humanoid robots, yet most existing approaches require robot-specific training. In this paper, we study the problem of cross-embodiment humanoid control and show that a single policy can robustly generalize across a wide range of humanoid robot designs with one-time training. We introduce XHugWBC, a novel cross-embodiment training framework that enables generalist humanoid control through: (1) physics-consistent morphological randomization, (2) semantically aligned observation and action spaces across diverse humanoid robots, and (3) effective policy architectures modeling morphological and dynamical properties. XHugWBC is not tied to any specific robot. Instead, it internalizes a broad distribution of morphological and dynamical characteristics during training. By learning motion priors from diverse randomized embodiments, the policy acquires a strong structural bias that supports zero-shot transfer to previously unseen robots. Experiments on twelve simulated humanoids and seven real-world robots demonstrate the strong generalization and robustness of the resulting universal controller.

The quantum approximate optimization algorithm (QAOA) holds promise for combinatorial optimization but is constrained by limited qubits. While divide-and-conquer frameworks like QAOA$^2$ address scalability by partitioning graphs into subgraphs, existing methods suffer from two fundamental limitations: i) misalignment between heuristic partitioning metrics and quantum optimization goals, and ii) topology-blind parameter initialization that leads to optimization cold starts. To bridge these gaps, we propose **Neural QAOA$^2$**, an end-to-end differentiable framework that jointly generates graph partitions and initial parameters. By integrating a generative evaluative network (GEN), our method utilizes a differentiable quantum evaluator as a high-fidelity performance surrogate to provide direct gradient guidance, enabling the joint generator to learn the intrinsic mapping from graph topology to high-quality partition and parameter configurations. Extensive experiments on 183 QUBO, Ising, and MaxCut instances (21 to 1000 variables) demonstrate that our gradient-driven approach broadly outperforms heuristic baselines, ranking first on 101 instances. It exhibits zero-shot generalization across out-of-distribution graph topologies and scales.

Reinforcement Learning with Verifiable Rewards (RLVR) enhances reasoning of Large Language Models (LLMs) but usually exhibits limited generation diversity due to the over-incentivization of positive rewards. Although methods like Negative Sample Reinforcement (NSR) mitigate this issue by upweighting penalty from negative samples, they may suppress the semantic distributions shared between positive and negative responses. To boost reasoning ability without losing diversity, this paper proposes negative sample projection Residual Reinforcement Learning (ResRL) that decouples similar semantic distributions among positive and negative responses. We theoretically link Lazy Likelihood Displacement (LLD) to negative-positive head-gradient interference and derive a single-forward proxy that upper-bounds representation alignment to guide conservative advantage reweighting. ResRL then projects negative-token hidden representations onto an SVD-based low-rank positive subspace and uses projection residuals to modulate negative gradients, improving reasoning while preserving diversity and outperforming strong baselines on average across twelve benchmarks spanning Mathematics, Code, Agent Tasks, and Function Calling. Notably, ResRL surpasses NSR on mathematical reasoning by 9.4\% in Avg@16 and 7.0\% in Pass@128. Code is available at https://github.com/1229095296/ResRL.git.

Predictive coding networks are neural models that perform inference through an iterative energy minimization process, whose operations are local in space and time. While effective in shallow architectures, they suffer significant performance degradation beyond five to seven layers. In this work, we show that this degradation is caused by exponentially imbalanced errors between layers during weight updates, and by predictions from the previous layers not being effective in guiding updates in deeper layers. Furthermore, when training models with skip connections, the energy propagated by the residuals reaches higher layers faster than that propagated by the main pathway, affecting test accuracy. We address the first issue by introducing a novel precision-weighted optimization of latent variables that balances error distributions during the relaxation phase, the second issue by proposing a novel weight update mechanism that reduces error accumulation in deeper layers, and the third one by using auxiliary neurons that slow down the propagation of the energy in the residual connections. Empirically, our methods achieve performance comparable to backpropagation on deep models such as ResNets, opening new possibilities for predictive coding in complex tasks.

Tensor-valued prediction is fundamental to geometric deep learning, yet uncertainty quantification (UQ) for such outputs remains an open challenge. While E(3)-equivariant neural networks excel at point estimates, they lack rigorous confidence measures. We focus on symmetric rank-2 tensor prediction, where the target has six Kelvin-Mandel coordinates and full uncertainty is represented by a $6\times6$ covariance matrix. We introduce a framework for E(3)-equivariant UQ, modeling the full predictive distribution where both mean and covariance preserve rotational symmetry. Our approach decomposes the covariance into irreducible representations $\mathrm{Sym}^2(\rho_c) \cong 2\times(l=0) \oplus 2\times(l=2) \oplus 1\times(l=4)$. By mapping from the flat Lie algebra $\mathfrak{sym}(6)$ to the curved SPD manifold via matrix exponentiation, we strictly ensure positive-definite covariances while maintaining exact equivariance. Furthermore, we formulate a Log-Euclidean Equivariant Scoring Objective (LE-ESO)---a robust surrogate loss based on the Multivariate Laplace distribution---providing robustness to heavy-tailed errors and stable optimization. Validation on ModelNet40 inertia tensors and Materials Project dielectric tensors demonstrates that our method achieves competitive performance and provides physically consistent, symmetry-preserving uncertainty estimates with useful risk and OOD sensitivity.

Performative prediction captures the phenomenon where deploying a predictive model shifts the underlying data distribution. While simple retraining dynamics are known to converge linearly when the performative effects are weak ($\rho < 1$), the complexity in the regime $\rho > 1$ was hitherto open. In this paper, we establish a sharp phase transition: computing an $\epsilon$-performatively stable point is PPAD-complete---and thus polynomial-time equivalent to Nash equilibria in general-sum games---even when $\rho = 1 + O(\epsilon)$. This intractability persists even in the ostensibly simple setting with a quadratic loss function and linear distribution shifts. One of our key technical contributions is to extend this PPAD-hardness result to general convex domains, which is of broader interest in the complexity of variational inequalities. Finally, we address the special case of strategic classification, showing that computing a strategic local optimum is PLS-hard.

There have been numerous attempts to distill quadratic attention-based large language models (LLMs) into sub-quadratic linearized architectures. However, despite extensive research, such distilled models often fail to match the performance of their teacher LLMs on various downstream tasks. We set out the goal of *lossless distillation*, which we define in terms of tolerance-corrected *Win-and-Tie rates* between student and teacher on sets of tasks. To this end, we introduce an effective distillation pipeline for xLSTM-based students. We propose an additional merging stage, where individually linearized experts are combined into a single model. We show the effectiveness of this pipeline by distilling base and instruction-tuned models from the Llama, Qwen, and Olmo families. In many settings, our xLSTM-based students recover most of the teacher's performance, and even exceed it on some downstream tasks. Our contributions are an important step towards more energy-efficient and cost-effective replacements for transformer-based LLMs.

Relational Databases (RDBs) are the backbone of modern business, yet they lack foundation models comparable to those in text or vision. A key obstacle is that high-quality RDBs are private, scarce, and structurally heterogeneous, making internet-scale pre-training infeasible. To overcome this data scarcity, we introduce RDB-PFN, the first relational foundation model trained purely via synthetic data. Inspired by Prior-Data Fitted Networks (PFNs), where synthetic data generated from Structural Causal Models (SCMs) enables reasoning on single tables, we design a Relational Prior Generator to create an infinite stream of diverse RDBs from scratch. Pre-training on over 2 million synthetic single-table and relational tasks, RDB-PFN learns to adapt to any new database instantly via genuine in-context learning. Experiments show that RDB-PFN achieves strong few-shot performance on 19 real-world relational prediction tasks, outperforming state-of-the-art tabular foundation models evaluated on the same DFS-linearized inputs, while using a lightweight architecture and fast inference. The code is available at https://github.com/MuLabPKU/RDBPFN.

Asynchronous reinforcement learning has become increasingly central to scaling LLM post-training, delivering major throughput gains by decoupling rollout generation from policy updates. However, widely used policy-gradient objectives such as REINFORCE and GRPO suffer under high asynchrony: stale rollouts produce heavy-tailed importance weights, so a small number of trajectories dominate updates and the policy-gradient estimator becomes **markedly higher variance**. Through systematic analysis on math, reasoning, and tool-use benchmarks, we establish that this increasing variance is reliably predicted by collapsing effective sample size (ESS), which prior stabilization methods largely fail to address. Motivated by this diagnosis, we introduce **V**ariance **C**ontrolled **P**olicy **O**ptimization (VCPO), a method that (i) dynamically scales the learning rate with ESS to dampen unreliable updates and (ii) applies a closed-form minimum-variance baseline for off-policy settings, without a critic model and adding minimal overhead. Empirically, across math and general reasoning benchmarks, this enables robustly stable asynchronous training compared to previous stabilization and algorithmic methods, even in highly off-policy regimes (128 steps off-policy). In a long-horizon, tool-use task, VCPO matches synchronous performance while delivering a 2.5× speedup in training time. Code is available at: https://github.com/mit-han-lab/vcpo