ICML 2026 Papers

International Conference on Machine Learning

Decision breakdown

6,341papers

Counted from the official paper list; may differ slightly from the number the conference announced.

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    5368.5%
  • Poster
    5,80591.5%

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Optimal Rates for Feasible Payoff Set Estimation in Games

Annalisa Barbara, Riccardo Poiani, Martino Bernasconi, Andrea Celli

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We study a setting in which two players play a (possibly approximate) Nash equilibrium of a bimatrix game, while a learner observes only their actions and has no knowledge of the equilibrium or the underlying game. A natural question is whether the learner can rationalize the observed behavior by inferring the players' payoff functions. Rather than producing a single payoff estimate, inverse game theory aims to identify the entire set of payoffs consistent with observed behavior, enabling downstream use in, e.g., counterfactual analysis and mechanism design across applications like auctions, pricing, and security games. We focus on the problem of estimating the set of feasible payoffs with high probability and up to precision $\epsilon$ on the Hausdorff metric. We provide the first minimax-optimal rates for both exact and approximate equilibrium play, in zero-sum as well as general-sum games. Our results provide learning-theoretic foundations for set-valued payoff inference in multi-agent environments.

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FedARC: Anchor-Guided Residual Compensation for Data and Model Heterogeneous Federated Learning

Chentao Lu, Xuhao Ren, Dawei xu, Chuan Zhang, Liehuang Zhu

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Federated learning (FL) allows clients to collaboratively train models without exposing private data, but practical FL is simultaneously challenged by data heterogeneity and model heterogeneity. Prior heterogeneous FL (HtFL) approaches often fail to handle fine-grained feature shifts, leading to weak representation alignment and limited cross-client knowledge transfer, which degrades both personalization and generalization. We propose FedARC, an HtFL framework that couples a shared lightweight extractor with client-specific fusion: a trainable projector integrates local and global embeddings, while adaptive residual compensation dynamically corrects feature-level mismatches. To further stabilize aggregation, FedARC performs semantic anchor alignment across clients, and we theoretically prove FedARC converges with a non-convex convergence rate $\mathcal{O}(1/T)$. Experiments on five public benchmarks demonstrate that FedARC outperforms nine state-of-the-art HtFL baselines by up to 2.63\% in average accuracy, while maintaining efficient communication and computation.

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Joint-Space Empowerment as a Theory of Dexterous Motor Coordination

James Heald, Vittorio Caggiano, Vikash Kumar, Maneesh Sahani

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Searching for effective policies is notoriously challenging in high-dimensional musculoskeletal systems, where multiple muscles actuate individual joints. Although this redundancy complicates naive policy search, it also implies that effective control can be captured by a low-dimensional action manifold. To identify such a manifold, we introduce Joint-Space Empowerment (JoSE), a novel information-theoretic objective that quantifies how much control an agent has over its mechanical degrees-of-freedom. We frame manifold discovery as an optimal precoding problem—where a state-dependent precoder maps low-dimensional latent actions to high-dimensional muscle commands—and derive the optimal precoder in closed form under control-affine Gaussian dynamics. We show that manipulation policies learned on this manifold display significantly enhanced dexterity, sample efficiency, and improved generalization. These results present optimal precoding as a general information-theoretic paradigm for coordinating high-dimensional actuators to control low-dimensional features.

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Exact Functional ANOVA Decomposition for Categorical Inputs Models

Baptiste Ferrere, Nicolas Bousquet, Fabrice Gamboa, Jean-Michel Loubes, Joseph Muré

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Functional ANOVA offers a principled framework for interpretability by decomposing a model’s prediction into main effects and higher-order interactions. For independent features, this decomposition is well-defined, strongly linked with SHAP values, and serves as a cornerstone of additive explainability. However, the lack of an explicit closed-form expression for general dependent distributions has forced practitioners to rely on costly sampling-based approximations. We completely resolve this limitation for categorical inputs. By bridging functional analysis with the extension of discrete Fourier analysis, we derive a closed-form decomposition without any assumption. Our formulation is computationally very efficient. It seamlessly recovers the classical independent case and extends to arbitrary dependence structures, including distributions with non-rectangular support. Furthermore, leveraging the intrinsic link between SHAP and ANOVA under independence, our framework yields a natural generalization of SHAP values for the general categorical setting.

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Self-Distillation Enables Continual Learning

Idan Shenfeld, Mehul Damani, Jonas Hübotter, Pulkit Agrawal

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Continual learning, enabling models to acquire new skills and knowledge without degrading existing capabilities, remains a fundamental challenge for foundation models. While on-policy reinforcement learning can reduce forgetting, it requires explicit reward functions that are often unavailable. Learning from expert demonstrations, the primary alternative, is dominated by supervised fine-tuning (SFT), which is inherently off-policy. We introduce Self-Distillation Fine-Tuning (SDFT), a simple method that enables on-policy learning directly from demonstrations. SDFT leverages in-context learning by using a demonstration-conditioned model as its own teacher, generating on-policy training signals that preserve prior capabilities while acquiring new skills. Across skill learning and knowledge acquisition tasks, SDFT consistently outperforms SFT, achieving higher new-task accuracy while substantially reducing catastrophic forgetting. In sequential learning experiments, SDFT enables a single model to accumulate multiple skills over time without performance regression, establishing on-policy distillation as a practical path to continual learning from demonstrations.

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The Assistant Axis: Situating and Stabilizing the Default Persona of Language Models

Christina Lu, Jack Gallagher, Jonathan Michala, Kyle Fish, Jack Lindsey

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Large language models can represent a variety of personas but typically default to a helpful Assistant identity cultivated during post-training. Across several different models, we find an “Assistant Axis" in their activation space, which captures the extent to which a model is operating in its default Assistant mode. Steering towards the Assistant direction reinforces helpful and harmless behavior; steering away increases the model’s tendency to identify as other entities. Measuring deviations along the Assistant Axis predicts “persona drift,” a phenomenon where models slip into exhibiting harmful or bizarre behaviors that are uncharacteristic of their typical persona. We find that persona drift is often driven by conversations demanding meta-reflection on the model’s processes or featuring emotionally vulnerable users. We show that restricting activations to a fixed region along the Assistant Axis can stabilize model behavior in these scenarios—and also in the face of adversarial persona-based jailbreaks. Our results suggest that post-training steers models toward a particular region of persona space but only loosely tethers them to it, motivating work on training and steering strategies that more deeply anchor models to a coherent persona.

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MiniAppBench: Evaluating the Shift from Text to Interactive HTML Responses in LLM-Powered Assistants

Zuhao zhang, Chengyue Yu, Yuante Li, Chenyi Zhuang, Linjian Mo, Shuai Li

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With the rapid advancement of Large Language Models (LLMs) in code generation, human-AI interaction is evolving from static text responses to dynamic, interactive HTML-based applications, which we term **MiniApps**. These applications require models to not only render visual interfaces but also construct customized interaction logic that adheres to real-world principles. However, existing benchmarks primarily focus on algorithmic correctness or static layout reconstruction, failing to capture the capabilities required for this new paradigm. To address this gap, we introduce **MiniAppBench**, the first comprehensive benchmark designed to evaluate principle-driven, interactive application generation. Sourced from a real-world application with **10M+** generations, MiniAppBench distills 500 tasks across six domains (e.g., Games, Science, and Tools). Furthermore, to tackle the challenge of evaluating open-ended interactions where no single ground truth exists, we propose **MiniAppEval**, an agentic evaluation framework. Leveraging browser automation, it performs human-like exploratory testing to systematically assess applications across three dimensions: Intention, Static, and Dynamic. Our experiments reveal that current LLMs still face significant challenges in generating high-quality MiniApps, while MiniAppEval demonstrates high alignment with human judgment, establishing a reliable standard for future research. Our homepage is available in https://miniappbench.github.io.

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FIDIA: Function-Informed Sequence Design via Inference-Aligned Policy Optimization

Minghan Li, Fengji Li, Yilin Tao, Yue Deng

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Computational protein design typically employs a sequential workflow of structure generation followed by sequence (re)design. While structure generators can be explicitly conditioned on functional objectives, inverse folding models are constrained by their function-agnostic nature and sequence-structure degeneracy. More critically, the associated training objectives do not account for the *Best-of-N* (BoN) inference protocol, resulting in a fundamental training-inference misalignment. Here, we propose FIDIA, a reinforcement learning framework that enables **F**unction-**I**nformed sequence **D**esign via **I**nference-**A**ligned policy optimization. Specifically, FIDIA integrates functional constraints into composite rewards and explicitly optimize the induced policy under BoN toward high-fitness sequence regions. We achieve this via a grounded gradient estimator that directly maximizes the expected maximum reward. FIDIA consistently outperforms both standard and RL-optimized baselines in success rate and precision on a general motif scaffolding benchmark. Further experiments on realworld cases including vaccine and affinity-enhancing enzyme design validate FIDIA’s efficacy in complex therapeutic and biocatalytic contexts.

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Skip a Layer or Loop It? Learning Program-of-Layers in LLMs

Ziyue Li, Yang Li, Tianyi Zhou

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Large language models (LLMs) perform inference by following a fixed depth and order, non-recurrent execution of all layers. We reveal the wide existence of training-free, flexible, dynamic *program-of-layers (PoLar)*, where pretrained layers can be packed as modules and then skipped or looped to form a customized program for each input. For most inputs, substantially shorter program executions can achieve the same or better accuracy, while incorrect predictions of the original LLM can be corrected by alternative programs with fewer layers. These observations indicate that inference admits multiple valid latent computations beyond the standard forward pass. To efficiently achieve PoLar in practice, we propose a lightweight PoLar prediction network, which learns to generate execution programs that dynamically skip or repeat pretrained layers for each input. Experiments on mathematical reasoning benchmarks demonstrate that PoLar consistently improves accuracy over standard inference and prior dynamic-depth methods, often while executing fewer layers, and that these gains persist under out-of-distribution evaluation. Our results suggest that fixed-depth execution captures only a narrow subset of an LLM’s latent reasoning capacity.

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Non-Euclidean Gradient Descent Operates at the Edge of Stability

Rustem Islamov, Michael Crawshaw, Jeremy Cohen, Robert M. Gower

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The Edge of Stability (EoS) is a phenomenon where the sharpness (largest eigenvalue) of the Hessian approaches and then hovers near the stability threshold $2/\eta$ during gradient descent (GD) with step size $\eta$. Despite (apparently) violating classical smoothness assumptions, EoS has been widely observed in deep learning, but its theoretical foundations remain incomplete. We provide an interpretation of EoS through the lens of Directional Smoothness [Mishkin et al., 2024]. This interpretation naturally extends to non-Euclidean norms, which we use to define generalized sharpness under an arbitrary norm. Our generalized sharpness measure includes previously studied vanilla GD and preconditioned GD as special cases, as well as methods for which EoS has not been studied, such as $\ell_{\infty}$-descent, Block CD, Spectral GD, and their normalized versions. Through experiments on neural networks, we show that non-Euclidean GD with our generalized sharpness also exhibits progressive sharpening followed by oscillations around or above the threshold $2/\eta$. Practically, our framework provides a geometry-aware spectral diagnostic that can be applied across a broad class of non-Euclidean gradient methods.

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Large Language Models Develop Novel Social Biases Through Adaptive Exploration

Addison J. Wu, Ryan Liu, Xuechunzi Bai, Thomas L. Griffiths

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As large language models (LLMs) are adopted into frameworks that grant them the capacity to make real decisions, it is increasingly important to ensure that they are unbiased. In this paper, we argue that the predominant approach of simply removing existing biases from models is not enough. Using a paradigm from the psychology literature, we demonstrate that LLMs can spontaneously develop novel social biases about artificial demographic groups even when no inherent differences exist. These biases result in highly stratified task allocations, which are less fair than assignments by human participants and are exacerbated by newer and larger models. In humans, emergent biases like these have been shown to result from exploration-exploitation trade-offs, where the decision-maker explores too little, allowing early observations to strongly influence impressions about entire demographic groups. To alleviate this effect, we examine a series of interventions targeting model inputs, problem structure, and explicit steering. We find that explicitly incentivizing exploration most robustly reduces stratification, highlighting the need for better multifaceted objectives to mitigate bias. These results reveal that LLMs are not merely passive mirrors of human social biases, but can actively create new ones from experience, raising urgent questions about how these systems will shape societies over time.

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Balancing Understanding and Generation in Discrete Diffusion Models

Yue Liu, Yuzhong Zhao, Zheyong Xie, Qixiang Ye, Jianbin Jiao, Yao Hu, Shaosheng Cao, Yunfan Liu

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In discrete generative modeling, two dominant paradigms demonstrate divergent capabilities: Masked Diffusion Language Models (MDLM) excel at semantic understanding and zero-shot generalization, whereas Uniform-noise Diffusion Language Models (UDLM) achieve strong few-step generation quality, yet neither attains balanced performance across both dimensions. To address this, we propose XDLM, which bridges the two paradigms via a stationary noise kernel. XDLM offers two key contributions: it provides (1) a principled theoretical unification of MDLM and UDLM, recovering each paradigm as a special case; and (2) an alleviated memory bottleneck enabled by an algebraic simplification of the posterior probabilities. Experiments demonstrate that XDLM advances the Pareto frontier between understanding capability and generation quality. Quantitatively, XDLM surpasses UDLM by 5.4 points on zero-shot text benchmarks and outperforms MDLM in few-step image generation (FID 54.1 vs. 80.8). When scaled to tune an 8B-parameter large language model, XDLM achieves 15.0 MBPP in just 32 steps, effectively doubling the baseline performance. Finally, analysis of training dynamics reveals XDLM’s superior potential for long-term scaling. Code is available at [https://github.com/MzeroMiko/XDLM](https://github.com/MzeroMiko/XDLM).

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Just-In-Time Reinforcement Learning: Continual Learning in LLM Agents Without Gradient Updates

Yibo Li, Zijie Lin, Ailin Deng, Xuan Zhang, Yufei He, Shuo Ji, Tri Cao, Bryan Hooi

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While Large Language Model (LLM) agents excel at general tasks, they inherently struggle with continual adaptation due to the frozen weights after deployment. Conventional reinforcement learning (RL) offers a solution but incurs prohibitive computational costs and the risk of catastrophic forgetting. We introduce Just-In-Time Reinforcement Learning (JitRL), a training-free framework that enables test-time policy optimization without any gradient updates. JitRL maintains a dynamic, non-parametric memory of experiences and retrieves relevant trajectories to estimate action advantages on-the-fly. These estimates are then used to directly modulate the LLM's output logits. We theoretically prove that this additive update rule is the exact closed-form solution to the KL-constrained policy optimization objective. Extensive experiments on WebArena and Jericho demonstrate that JitRL establishes a new state-of-the-art among training-free methods. Crucially, JitRL outperforms the performance of computationally expensive fine-tuning methods (e.g., WebRL) while reducing monetary costs by over 30 times, offering a scalable path for continual learning agents. The code is available at https://github.com/liushiliushi/JitRL.

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CoEvol-NO: State and Coordinate Co-Evolution with an Error-Driven Predictor-Corrector Paradigm for Neural Operator Transformer

Jianqiao Zeng, Ruocheng Wang, Yanzhi Liu, Hao Xiong, Junchi Yan

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Despite the fast progress in neural operator learning, long-sequence modeling still is a standing challenge whereby latent states have been introduced with techniques well derived. Diverging from existing methods that treat latent states as transient variables or decoupled representations, CoEvol-NO introduces a persistent state to establish a co-evolutionary framework, where the latent state and mesh sequence are updated jointly and bidirectionally. Inspired by classical numerical methods, we model the layer-wise state evolution as a Predictor-Corrector (PC) process. Specifically, a "Predictor'' generates a tentative target, followed by a "Corrector'' that refines the persistent state via an {error-driven update mechanism}. Furthermore, our theoretical analysis reveals that the widely used \textit{direct substitution} and \textit{residual update} paradigms are essentially {first-order approximations} of this error-driven correction under different loss assumptions. We theoretically prove that CoEvol-NO achieves strict linear time complexity. Extensive experiments on five standard benchmarks and two large-scale industrial design tasks demonstrate that CoEvol-NO consistently achieves state-of-the-art (SOTA) performance.

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Scalable Option Learning in High-Throughput Environments

Mikael Henaff, Scott Fujimoto, Michael Matthews, Michael Rabbat

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Hierarchical reinforcement learning (RL) has the potential to enable effective decision-making over long timescales. Existing approaches, while promising, have yet to realize the benefits of large-scale training. In this work, we identify and solve several key challenges in scaling online hierarchical RL to high-throughput environments. We propose Scalable Option Learning (SOL), a highly scalable hierarchical policy gradient algorithm which achieves a ~35x higher throughput compared to existing hierarchical methods. To demonstrate SOL's performance and scalability, we train hierarchical agents using 30 billion frames of experience on the complex game of NetHack, significantly surpassing flat agents and demonstrating positive scaling trends. We also validate SOL on MiniHack and Mujoco environments, showcasing its general applicability.

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TabSwift: An Efficient Tabular Foundation Model with Row-Wise Attention

Si-Yang Liu, Han-Jia Ye

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Tabular foundation models, exemplified by TabPFN, perform prediction via in-context learning, inferring test labels directly from labeled training examples. They have demonstrated competitive performance, particularly on small-to-medium datasets. However, recent tabular foundation models often improve accuracy with increasingly complex architectures, incurring higher inference cost and limiting practical deployment. In this work, we revisit the original TabPFN design and show that a lightweight row-wise attention–only backbone can remain highly competitive with two simple enhancements: a gated attention stabilization mechanism and a small set of learnable register tokens that provide global context and improve pretraining quality. The resulting model, TabSwift, supports both classification and regression, and is competitive with stronger tabular foundation models (e.g., TabPFN v2 and TabICL) while being more efficient at inference. For latency-sensitive serving, we further introduce an adaptive layer-wise early-exit mechanism that dynamically adjusts inference depth per sample. Overall, TabSwift enables efficient and anytime tabular in-context learning for practical deployments.

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Attribution-Guided and Coverage-Maximized Pruning for Structural MoE Compression

Yifu Ding, Jiacheng Wang, Ge Yang, Yongcheng Jing, Jinyang Guo, Xianglong Liu, Dacheng Tao

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Mixture-of-Experts (MoE) models scale compute efficiently, yet they remain expensive to deploy due to substantial memory footprint and inference overhead. Prior methods mainly operate at the expert level, either removing whole experts or ranking experts by importance. However, such expert-wise decisions are too coarse to identify redundancy, and often misallocate pruning budgets and limits compression. This issue worsens in large MoEs with dynamic routing and heterogeneous experts. To alleviate this dilemma, we for the first time observe that information in MoE experts is highly concentrated in a few channels, leaving substantial redundancy even in "high importance" experts. Accordingly, we propose a structural pruning framework tailored for MoEs, reforming the prune-ratio objective to maximizing channel-score coverage via an efficient attribution-based approximation. Experiments on DeepSeek and Qwen MoEs retain accuracy under 50\% or 25\% pruning joinly with 4-bit quantization, reducing the memory footprint of Qwen3-30B-A3B by 5.27$\times$, and outperforming state-of-the-art baselines under diverse benchmarks.

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Clustering in Deep Stochastic Transformers

Lev Fedorov, Michael Eli Sander, Romuald Elie, Pierre Marion, Mathieu Lauriere

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Transformers have revolutionized deep learning across various domains but understanding the precise token dynamics remains a theoretical challenge. Existing theories of deep Transformers with layer normalization typically predict that tokens cluster to a single point; however, these results rely on deterministic weight assumptions, which fail to capture the standard initialization scheme in Transformers. In this work, we show that accounting for the intrinsic stochasticity of random initialization alters this picture. More precisely, we analyze deep Transformers where noise arises from the random initialization of value matrices. Under diffusion scaling and token-wise RMS normalization, we prove that, as the number of Transformer layers goes to infinity, the discrete token dynamics converge to an interacting-particle system on the sphere where tokens are driven by a *common* matrix-valued Brownian noise. In this limit, we show that initialization noise prevents the collapse to a single cluster predicted by deterministic models. For two tokens, we prove a phase transition governed by the interaction strength and the token dimension: unlike deterministic attention flows, antipodal configurations become attracting with positive probability. Numerical experiments confirm the predicted transition, reveal that antipodal formations persist for more than two tokens, and demonstrate that suppressing the intrinsic noise degrades accuracy.

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Wait, Wait, Wait... Why Do Reasoning Models Loop?

Charilaos Pipis, Shivam Garg, Vasilis Kontonis, Vaishnavi Shrivastava, Akshay Krishnamurthy, Dimitris Papailiopoulos

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Reasoning models (e.g., DeepSeek-R1) generate long chains of thought to solve harder problems, but they often loop, repeating the same text at low temperatures or with greedy decoding. We study why this happens and what role temperature plays. With open reasoning models, we find that looping is common at low temperature. Larger models tend to loop less, and distilled students loop significantly even when their teachers rarely do. This points to mismatches between the training distribution and the learned model, which we refer to as errors in learning, as a key cause. To understand how such errors cause loops, we introduce a synthetic graph reasoning task and demonstrate two mechanisms. First, risk aversion caused by hardness of learning: when the correct progress-making action is hard to learn but an easy cyclic action is available, the model puts relatively more probability on the cyclic action and gets stuck. Second, even when there is no hardness, Transformers show an inductive bias toward temporally correlated errors, so the same few actions keep being chosen and loops appear. Higher temperature reduces looping by promoting exploration, but it does not fix the errors in learning, so generations remain much longer than necessary at high temperature; in this sense, temperature is a stopgap rather than a holistic solution. We end with a discussion of training-time interventions aimed at directly reducing errors in learning.

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ScaleMoE: Mixture-of-Experts for Scalable Continuous Control in Actor-Critic Reinforcement Learning

Yi Ma, Chenjun Xiao, Hongyao Tang, Yaodong Yang, Jinyi Liu, Jing Liang, Jiye Liang

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Scaling network remains a bottleneck in deep reinforcement learning (RL): simply enlarging actor–critic networks destabilizes training and soon saturates performance. Although recent monolithic architectures such as SimBa and BRC have shown that carefully designed inductive biases can enable positive scaling up to a certain size, their improvements plateau soon as model parameters grow further. This work introduces ScaleMoE, a scalable RL architecture that integrates Mixture-of-Experts (MoE) modules into both the actor and critic of modern continuous control algorithms. Two complementary gating schemes are studied: output-level aggregation of per-expert policies and Q-functions, and feature-level fusion of expert representations before a shared head. We instantiate ScaleMoE on two representative monolithic RL baselines: the single-task method SimBa and the multi-task method BRC. Experiments across the DeepMind Control Suite, MetaWorld, and HumanoidBench show that progressively increasing the number of experts (up to 64) yields substantial improvements in returns, significantly outperforming monolithic networks of comparable or even greater parameter counts. Results demonstrate that ScaleMoE provides an efficient and effective scaling axis for deep RL in continuous control.

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