ICML 2026 Papers

Stochastic programming is often challenged by epistemic uncertainty, where critical probability distributions are poorly characterized or unknown due to a lack of data. To address this, we pioneer a novel framework for stochastic programming that minimizes an upper confidence bound (UCB) on the expected random cost, acting as a robustness-seeking strategy. Our central contribution is the Average Percentile Upper Bound (APUB), a new statistical construct that serves as both a statistically rigorous upper bound for population means and an approximate risk metric for sample means. We rigorously prove the asymptotic correctness and consistency of APUB, establishing a reliable foundation for data-driven decision-making. We also develop practical solution methods, including a bootstrap sampling approximation method and an L-shaped method, to solve APUB optimization problems, with a specific focus on two-stage linear stochastic optimization with random recourse. Empirical demonstrations on a two-stage product mix problem reveal the significant benefits of our APUB optimization framework, which fortifies the process against epistemic uncertainty while reinforcing key decision-making attributes like reliability and consistency. The implementation and source code are available at https://github.com/8Wings/APUB-Optimization.

Communication costs are a major bottleneck in distributed learning and first-order optimization. A common approach to alleviate this issue is to compress the gradient information exchanged between agents. However, such compression typically degrades the convergence guarantees of gradient-based methods. Error feedback mechanisms provide a simple and computationally cheap remedy for this issue, but numerous variants have been proposed, and their relative performance remains poorly understood. This paper provides tight convergence analyses for two of the main error-feedback algorithms from the literature, the classic Error Feedback method (EF) and Error Feedback 21 (EF21), by identifying optimal step-size choices and constructing optimal Lyapunov functions tailored to each method. The results hold independently of the number of agents and recover the known best guarantees possible in the single-agent regime.

Many real-world tasks are non-verifiable—there is no objective ground truth, and quality must be judged subjectively—making reward design for RL difficult. Existing approaches based on scalar rubric scores or single comparisons are often noisy, poorly calibrated, or provide sparse learning signals. We introduce Tournament Style RL (TSRL), which constructs rewards from rubric-guided pairwise judgments against a fixed set of anchor responses, using win-rate as the reward for policy optimization. This aggregation of comparisons against anchor responses yields a signal that is more robust to the judge noise by stabilizing the reference frame, reducing the variance in reward. We test across four non-verifiable tasks and two backbone LLMs, and find that TSRL improves average win-rate by $+43.8$ points over the base model and $+22.8$ points over the strongest baseline. TSRL scales with the number of anchors, remains robust under weak or partially corrupted judges, the results are supported by blinded human preference studies.

Modern large-scale LLM pretraining benefits from utilizing Pipeline Parallelism; however, synchronous implementations leave GPUs idle during pipeline bubbles, wasting computational resources. Asynchronous Pipeline Parallelism eliminates these bubbles, maximizing throughput at the cost of gradient staleness. Among asynchronous schedules, PipeDream-2BW is particularly appealing: unlike the original PipeDream schedule, it ensures a constant one-step gradient delay regardless of pipeline depth. However, its adoption remains limited due to the common belief that optimizing under staleness is fundamentally unstable. In this work, we challenge this assumption, demonstrating that degradation under one-step delay depends strongly on optimizer choice rather than being an intrinsic limitation. We provide the first comprehensive empirical analysis showing that while AdamW, the predominant optimizer at the time when PipeDream-2BW was introduced, indeed suffers from severe degradation, recent methods like Muon exhibit strong robustness under a one-step delay. We introduce an optimizer-agnostic Error Feedback-inspired correction to further mitigate delay effects. We provide supporting theoretical analysis demonstrating convergence for Muon with and without this correction. Extensive evaluation on models up to 10B parameters confirms that our strategies bridge the performance gap with synchronous training, highlighting the practical potential of asynchronous pipeline parallelism at scale.

Flow-based generative models have emerged as powerful priors for solving inverse problems. One option is to directly optimize the initial latent code (noise), such that the flow output solves the inverse problem. However, this requires backpropagating through the entire generative trajectory, incurring high memory costs and numerical instability. We propose MS-Flow, which represents the trajectory as a sequence of intermediate latent states rather than a single initial code. By enforcing the flow dynamics locally and coupling segments through trajectory-matching penalties, MS-Flow alternates between updating intermediate latent states and enforcing consistency with observed data. This reduces memory consumption while improving reconstruction quality. We demonstrate the effectiveness of MS-Flow over existing methods on image recovery and inverse problems, including inpainting, super-resolution, and computed tomography.

In Mixture-of-Experts (MoE) training, sparse routing, i.e., activating only the top-$K$ experts per token, is essential for balancing convergence speed and computational cost. However, existing works typically choose $K$ empirically, without theoretical guidance. To address this gap, we characterize the convergence behavior of MoE training using stochastic optimization theory. Specifically, we derive a convergence upper bound of $\mathcal{O}\left(\frac{1+M/K}{\sqrt{T}}\right)$, where $T$ is the number of training iterations and $M$ is the total number of experts per MoE layer. This result guarantees convergence and shows that increasing $K$ can accelerate training. By further fixing the total computational budget $R$ (in FLOPs), we obtain a refined bound of $\mathcal{O}\left(\sqrt{\frac{K}{R}} + \frac{M}{\sqrt{K R}}\right)$, which is convex in $K$ and implies the existence of an optimal $K^{*}\in[1,M]$ that achieves the best convergence performance. Extensive experiments validate our theoretical analysis under diverse settings.

The mean-field Langevin dynamics (MFLD) minimizes an entropy-regularized nonlinear convex functional on the Wasserstein space over $\mathbb{R}^d$, and has gained attention recently as a model for the gradient descent dynamics of interacting particle systems such as infinite-width two-layer neural networks. However, many problems of interest have constrained domains, which are not solved by existing mean-field algorithms due to the global diffusion term. We study the optimization of probability measures constrained to a convex subset of $\mathbb{R}^d$ by proposing the \emph{mirror mean-field Langevin dynamics} (MMFLD), an extension of MFLD to the mirror Langevin framework. We obtain linear convergence guarantees for the continuous MMFLD via a uniform log-Sobolev inequality, and uniform-in-time propagation of chaos results for its time- and particle-discretized counterpart.

Adaptive rounding techniques in Post-Training Quantization (PTQ) enable the efficient deployment of Large Language Models (LLMs) with low resource and data dependencies. While learning-based rounding methods are accurate yet costly, compensation-based approaches offer a highly efficient alternative. However, synergizing these two to realize their full potential is hindered by spatiotemporal misalignment in the decoupled paradigm. Key challenges include temporal parameter conflict, the invalidation of the initial Round-to-Nearest (RTN) assumption, and spatially-inconsistent optimization objectives. This paper introduces STLA, a novel rounding-optimized PTQ framework that achieves both fast and accurate LLM quantization. STLA resolves temporal inconsistency through cluster-wise integrated rounding optimization, which collocates the learning and compensation phases. STLA achieves spatial alignment through a unified global objective derived from the Schur Complement, enabling the solver to look ahead and align local rounding decisions with the optimal future compensation of remaining weights. Furthermore, we propose a Hessian-guided clustering strategy that exploits both diagonal and off-diagonal information to maximize intra-cluster error cancellation. Extensive experiments demonstrate that STLA establishes a new state-of-the-art for low-bit PTQ while maintaining high computational efficiency. The code is available at https://github.com/AI2C-Lab/STLA.

Distributed optimization over time-varying directed graphs has shown promising performance in addressing challenges posed by complex communication constraints in real-world scenarios. In many practical settings, however, the direct application of distributed optimization algorithms encounters additional difficulties, most notably hyperparameter tuning, which our empirical observations suggest can be effectively mitigated by integrating bilevel optimization. Motivated by these findings, we study distributed bilevel optimization over time-varying directed networks, a problem that remains largely unexplored due to the compounded challenges arising from consensus bias in dynamic unbalanced communication and the nested optimization structure. In this work, we propose a fully first-order distributed gradient-based algorithm that integrates the Push–Pull (also known as AB) communication strategy with a value function-based penalty method and establish its non-asymptotic convergence properties. Notably, a simplified variant of our analysis framework for nonconvex single-level distributed optimization establishes a convergence rate for the Push–Pull algorithm, thereby resolving an open question concerning its convergence over time-varying directed graphs. Experiments across hyperparameter tuning, data hyper-cleaning, and reinforcement learning validate FAB's effectiveness and efficiency.

Credal predictors are epistemic-uncertainty-aware models that produce a convex set of probabilistic predictions. They provide a principled framework for quantifying predictive epistemic uncertainty (EU) and have been shown to improve model robustness across a range of settings. However, most state-of-the-art (SOTA) methods primarily define EU as disagreement induced by random training initializations, which mainly reflects sensitivity to optimization randomness rather than uncertainty from more substantive sources. In response, we formulate EU as disagreement between models trained under different degrees of relaxation of the i.i.d. assumption between the training and test distributions. Building on this idea, we propose *CreDRO*, which learns an ensemble of plausible models via distributionally robust optimization. As a result, CreDRO captures EU arising not only from training randomness but also from informative disagreement due to potential train–test distribution shifts. Empirically, CreDRO consistently outperforms SOTA credal approaches on downstream tasks, including out-of-distribution detection on extensive benchmarks and selective classification in medical settings.

Modern optimizers combine gradients from the current mini-batch with historical optimization state, such as momentum or adaptive moments. While highly effective, aggregating across the batch and incorporating this history can produce parameter updates that increase the loss of individual samples. We term this effect *harm* and formalize the parameter update as an optimization problem that explicitly minimizes the conflicting impact of both batch averaging and past optimization state on current data. Because the exact formulation is intractable, we introduce a highly efficient proxy. We first reduce the problem's dimensionality to the batch size, and then drastically cut memory and speed bottlenecks by successfully restricting the optimization to the last linear layer. This hinges on the unexpected finding that *this layer alone reliably captures the second-order statistics of the per-sample gradients*. The resulting surrogate problem integrates readily into standard optimizers like SGD and AdamW, and can be solved using a small number of GPU-friendly iterations. Crucially, the method exhibits *favorable scaling properties*, as the relative computational overhead shrinks as the model size or input grows. Experiments on image classification benchmarks confirm *reduced per-sample interference* and *improved generalization*.

We study optimization over non-convex constraint sets that are homeomorphic to a ball, encompassing important problem classes such as star-shaped sets that frequently arise in machine learning and engineering applications. We propose **Hom-PGD$^+$**, a learning-based and projection-efficient first-order method that efficiently solves such problems without requiring expensive projection or optimization oracles. Our approach leverages an invertible neural network (INN) to learn the homeomorphism between the non-convex constraint set and a unit ball, transforming the original problem into an equivalent ball-constrained optimization where projections admit efficient solutions. We establish that Hom-PGD$^+$ achieves an $\mathcal{O}(\epsilon^{-2})$ convergence rate to an ($\epsilon + \mathcal{O}(\sqrt{\epsilon_{\text{inn}}})$)-approximate stationary solution, where $\epsilon_{\text{inn}}$ denotes the homeomorphism learning error. This rate significantly improves upon existing methods for optimization over non-convex sets, while maintaining a per-iteration complexity of only $\mathcal{O}(W)$ for $W$ INN parameters. Extensive experiments, including QCQP, chance-constrained power-system optimization, and non-uniform adversarial attacks, demonstrate that Hom-PGD$^+$ achieves competitive solution quality while delivering speedups of up to one order of magnitude.

We analyze algorithms for solving stochastic variational inequalities (VI) without the bounded variance or bounded domain assumptions, where our main focus is min-max optimization with possibly unbounded constraint sets. We focus on two classes of problems: monotone VIs; and structured nonmonotone VIs that admit a solution to the *weak Minty VI*. The latter assumption allows us to solve structured nonconvex-nonconcave min-max problems. For both classes of VIs, to make the expected residual norm less than $\varepsilon$, we show an oracle complexity of $\widetilde{O}(\varepsilon^{-4})$, which is the best-known for constrained VIs. In our setting, this complexity had been obtained with the bounded variance assumption in the literature, which is not even satisfied for bilinear min-max problems with an unbounded domain. We obtain this complexity for stochastic oracles whose variance can grow as fast as the squared norm of the optimization variable.

Many learning tasks in science and engineering are characterized by sparse datasets, which limits the effectiveness of purely data-driven approaches. At the same time, these problems are often accompanied by rich domain knowledge derived from physical laws, operational requirements, and expert heuristics. Such knowledge is frequently expressed as rules involving logical propositions and linear inequalities. Existing neuro-symbolic methods typically enforce these rules approximately through soft penalties, assume input-independent rules when designing specialized architectures, or rely on non-differentiable post-processing at inference time to achieve hard constraint satisfaction. While recent advances in differentiable optimization layers enable end-to-end feasibility enforcement within neural networks, extending these approaches to logical or mixed-integer rules remains challenging due to inherent nonconvexity. In this work, we propose a unified end-to-end framework for enforcing hard, input-dependent mixed integer linear constraints within neural networks. Our approach represents rules as disjunctive constraints and applies hierarchical convex relaxations to obtain convex hull formulations. These relaxations yield tractable linear constraints that can be embedded as differentiable optimization layers while enabling exact rule satisfaction. We demonstrate the effectiveness of the proposed framework on real-world datasets, achieving perfect rule satisfaction and strong predictive performance.

We introduce an order-invariant reinforcement learning framework for black-box combinatorial optimization. Classical estimation-of-distribution algorithms (EDAs) often rely on learning explicit variable dependency graphs, which can be costly and may fail to capture complex interactions efficiently. In contrast, we parameterize a multivariate autoregressive generative model trained without a fixed variable ordering. By sampling random generation orders during training, a form of information-preserving dropout, the model is encouraged to be invariant to variable order, promoting search-space diversity, and shaping the model to focus on the most relevant variable dependencies, improving sample efficiency. We adapt Group Relative Policy Optimization (GRPO) to this setting, providing stable policy-gradient updates from scale-invariant advantages. Across a wide range of benchmark problem instances of varying sizes, our method frequently achieves the best performance and consistently avoids catastrophic failures.

The key to building trustworthy large language models (LLMs) lies in endowing them with inherent uncertainty expression capabilities, thereby mitigating overconfident errors in high-stakes applications. However, existing RL paradigms such as GRPO often suffer from Advantage Bias due to binary decision spaces and static uncertainty rewards, inducing either excessive conservatism or overconfidence. To tackle this challenge, this paper unveils the root causes of reward hacking and overconfidence in current RL paradigms incorporating uncertainty-based rewards, based on which we propose the **U**n**C**ertainty-Aware **P**olicy **O**ptimization (**UCPO**) framework. UCPO employs Ternary Advantage Decoupling to separate and independently normalize deterministic and uncertain rollouts, thereby eliminating advantage bias. Furthermore, a Dynamic Uncertainty Reward Adjustment mechanism adapts uncertainty weights in real-time according to model evolution and instance difficulty. Experimental results in mathematical reasoning and general tasks demonstrate that UCPO effectively resolves the reward imbalance, significantly improving the reliability of the model beyond their knowledge boundaries. The code is available at https://github.com/xzhouzeng/ucpo.

In this work, we revisit Transformer optimization through the lens of second-order geometry and establish a direct connection between architectural design, activation scale, the Hessian matrix, and the maximum tolerable learning rate. We introduce a simple normalization strategy, termed SimpleNorm, which stabilizes intermediate activation scales by construction. Then, by analyzing the Hessian of the loss with respect to network activations, we theoretically show that SimpleNorm significantly reduces the spectral norm of the Hessian, thereby permitting larger stable learning rates. We validate our theoretical findings through extensive experiments on large GPT models at parameter scales 1B, 1.4B, 7B and 8B. Empirically, SimpleGPT, our SimpleNorm-based network, tolerates learning rates 3$\times$-10$\times$ larger than standard convention, consistently demonstrates strong optimization stability, and achieves substantially better performance than well-established baselines. Specifically, when training 7B-scale models for 60K steps, SimpleGPT reduces the training loss from 2.290 to 2.208 compared with Llama2 with QKNorm. Our code is available at \url{https://github.com/Ocram7/SimpleGPT}.

Standard Bayesian Optimization (BO) assumes uniform smoothness across the search space—an assumption violated in multi-regime problems such as molecular conformation search through distinct energy basins or drug discovery across heterogeneous molecular scaffolds. A single GP either oversmooths sharp transitions or hallucinates noise in smooth regions, yielding miscalibrated uncertainty. We propose RAMBO, a Dirichlet Process Mixture of Gaussian Processes that automatically discovers latent regimes during optimization, each modeled by an independent GP with locally-optimized hyperparameters. We derive collapsed Gibbs sampling that analytically marginalizes latent functions for efficient inference, and introduce adaptive concentration parameter scheduling for coarse-to-fine regime discovery. Our acquisition functions decompose uncertainty into intra-regime and inter-regime components. Experiments on synthetic benchmarks and real-world applications—including molecular conformer optimization, virtual screening for drug discovery, and fusion reactor design—demonstrate consistent improvements over state-of-the-art baselines on multi-regime objectives. Code is available at https://github.com/AnthonyZhangYan/RAMBO.

Adaptive methods like Adam have become the *de facto* standard for large-scale vector and Euclidean optimization due to their coordinate-wise adaptation with a second-order nature. More recently, matrix-based spectral optimizers like Muon (Jordan et al., 2024b) show the power of treating weight matrices as matrices rather than long vectors. Linking these is hard because many natural generalizations are not feasible to implement, and we also cannot simply move the Adam adaptation to the matrix spectrum. To address this, we reformulate the AdaGrad update and decompose it into a variance adaptation term and a scale-invariant term. This decoupling produces **DeVA** (**De**coupled **V**ariance **A**daptation), a framework that bridges between vector-based variance adaptation and matrix spectral optimization, enabling a seamless transition from Adam to adaptive spectral descent. Extensive experiments across language modeling and image classification demonstrate that DeVA consistently outperforms state-of-the-art methods such as Muon and SOAP (Vyas et al., 2024), reducing token usage by around 6.6\%. Theoretically, we show that the variance adaptation term effectively improves the blockwise smoothness, facilitating faster convergence.