Goto

Collaborating Authors

 Optimization


Semi-Supervised Regression with Heteroscedastic Pseudo-Labels

Neural Information Processing Systems

Pseudo-labeling is a commonly used paradigm in semi-supervised learning, yet its application to semi-supervised regression (SSR) remains relatively under-explored. Unlike classification, where pseudo-labels are discrete and confidence-based filtering is effective, SSR involves continuous outputs with heteroscedastic noise, making it challenging to assess pseudo-label reliability. As a result, naive pseudolabeling can lead to error accumulation and overfitting to incorrect labels. To address this, we propose an uncertainty-aware pseudo-labeling framework that dynamically adjusts pseudo-label influence from a bi-level optimization perspective. By jointly minimizing empirical risk over all data and optimizing uncertainty estimates to enhance generalization on labeled data, our method effectively mitigates the impact of unreliable pseudo-labels. We provide theoretical insights and extensive experiments to validate our approach across various benchmark SSR datasets, and the results demonstrate superior robustness and performance compared to existing methods. Our code is available at https://github.com/sxq/HeteroscedasticPseudo-Labels.


RoME Domain Robust Mixture of Experts for Solution Prediction across Domains

Neural Information Processing Systems

Mixed-Integer Linear Programming (MILP) is a fundamental and powerful framework for modeling complex optimization problems across diverse domains. Recently, learning-based methods have shown great promise in accelerating MILP solvers by predicting high-quality solutions. However, most existing approaches are developed and evaluated in single-domain settings, limiting their ability to generalize to unseen problem distributions. This limitation poses a major obstacle to building scalable and general-purpose learning-based solvers. To address this challenge, we introduce RoME, a domain-Robust Mixture-of-Experts framework for predicting MILP solutions across domains.


Thompson Sampling in Function Spaces via Neural Operators

Neural Information Processing Systems

We propose an extension of Thompson sampling to optimization problems over function spaces where the objective is a known functional of an unknown operator's output. We assume that queries to the operator (such as running a high-fidelity simulator or physical experiment) are costly, while functional evaluations on the operator's output are inexpensive. Our algorithm employs a sample-then-optimize approach using neural operator surrogates. This strategy avoids explicit uncertainty quantification by treating trained neural operators as approximate samples from a Gaussian process (GP) posterior. We derive regret bounds and theoretical results connecting neural operators with GPs in infinite-dimensional settings.


Precise Diffusion Inversion: Towards Novel Samples and Few-Step Models

Neural Information Processing Systems

The diffusion inversion problem seeks to recover the latent generative trajectory of a diffusion model given a real image. Faithful inversion is critical for ensuring consistency in diffusion-based image editing. Prior works formulate this task as a fixed-point problem and solve it using numerical methods. However, achieving both accuracy and efficiency remains challenging, especially for few-step models and novel samples. In this paper, we propose PreciseInv, a general-purpose testtime optimization framework that enables fast and faithful inversion in as few as two inference steps.


On the Complexity of Finding Stationary Points in Nonconvex Simple Bilevel Optimization

Neural Information Processing Systems

In this paper, we study the problem of solving a simple bilevel optimization problem, where the upper-level objective is minimized over the solution set of the lower-level problem. We focus on the general setting in which both the upper-and lower-level objectives are smooth but potentially nonconvex. Due to the absence of additional structural assumptions for the lower-level objective--such as convexity or the Polyak-Łojasiewicz (PL) condition--guaranteeing global optimality is generally intractable. Instead, we introduce a suitable notion of stationarity for this class of problems and aim to design a first-order algorithm that finds such stationary points in polynomial time. Intuitively, stationarity in this setting means the upper-level objective cannot be substantially improved locally without causing a larger deterioration in the lower-level objective. To this end, we show that a simple and implementable variant of the dynamic barrier gradient descent (DBGD) framework can effectively solve the considered nonconvex simple bilevel problems up to stationarity.


One-Step Generalization Ratio Guided Optimization for Domain Generalization

arXiv.org Machine Learning

Domain Generalization (DG) aims to train models that generalize to unseen target domains but often overfit to domain-specific features, known as undesired correlations. Gradient-based DG methods typically guide gradients in a dominant direction but often inadvertently reinforce spurious correlations. Recent work has employed dropout to regularize overconfident parameters, but has not explicitly adjusted gradient alignment or ensured balanced parameter updates. We propose GENIE (Generalization-ENhancing Iterative Equalizer), a novel optimizer that leverages the One-Step Generalization Ratio (OSGR) to quantify each parameter's contribution to loss reduction and assess gradient alignment. By dynamically equalizing OSGR via a preconditioning factor, GENIE prevents a small subset of parameters from dominating optimization, thereby promoting domain-invariant feature learning. Theoretically, GENIE balances convergence contribution and gradient alignment among parameters, achieving higher OSGR while retaining SGD's convergence rate. Empirically, it outperforms existing optimizers and enhances performance when integrated with various DG and single-DG methods.


Phase Transition in Convex Relaxations for Graph Alignment

arXiv.org Machine Learning

We study the graph alignment problem for correlated Gaussian Orthogonal Ensemble (GOE) matrices, where the goal is to recover a hidden vertex permutation given two correlated symmetric Gaussian matrices $(A, B)$ with correlation $1/\sqrt{1+σ^2}$. While the maximum likelihood estimator is information-theoretically optimal, its computation, which reduces to a quadratic assignment problem, is intractable. Motivated by this, we analyze convex relaxations based on minimizing $\|AX - XB\|_F$ over the set of doubly stochastic matrices and the unit hypercube. We show that when the correlation parameter satisfies $σ= o(n^{-1/2}/\log^4 n)$, the solution of either relaxation $(X^\star)$ concentrates around the ground-truth permutation matrix $(Π^\star)$, i.e., $\|X^\star-Π^\star\|_F^2 = o(n)$, implying recovery of all but a vanishing fraction of vertices after simple post-processing. Combined with existing lower bounds, our results precisely characterize that $\|X^\star-Π^\star\|_F^2$ transitions from $o(n)$ for $σ= \tilde{o}(n^{-1/2})$ to $Ω(n)$ for $σ= \tildeΩ(n^{-1/2})$. In doing so, our analysis significantly tightens prior results and extends them beyond doubly stochastic relaxations.


Lyapunov-Based Sample Complexity Analysis for Weakly-Coupled MDPs

arXiv.org Machine Learning

We study the sample complexity of learning in average-reward weakly-coupled Markov decision processes (WCMDPs) and Restless Bandits (RBs) under a generative model. Naive reduction to a tabular MDP leads to high complexity bounds as the state-action space is exponentially large in the number of arms $N$. By exploiting the weakly coupled structure, we show that near-optimal policies can be learned with sample and computational complexities that are polynomial in $N$. Specifically, we analyze the plug-in approach, which applies an efficient planning algorithm to an empirical model estimated from data. For fully heterogeneous WCMDPs, we establish the first finite-sample PAC guarantee with polynomial complexity and an $O(1/\sqrt{N})$ optimality gap. For homogeneous RBs, we further prove that a smaller optimality gap is achievable under mild structural assumptions. A primary technical contribution of our work is a novel Lyapunov-based analysis framework. Unlike classical approaches that rely on the difficult-to-control bias function, our framework uses an explicitly constructed Lyapunov function along with a drift transfer technique between the true and empirical models. A key step of independent interest in our framework is a fine-grained perturbation analysis for the underlying linear programming (LP) relaxation, which provides a general tool for analyzing LP-based policies and weakly-coupled systems.


Policy Gradient Methods Converge Globally in Imperfect-Information Extensive-Form Games

Neural Information Processing Systems

Multi-agent reinforcement learning (MARL) has long been seen as inseparable from Markov games (Littman, 1994). Yet, the most remarkable achievements of practical MARL have arguably been in extensive-form games (EFGs)--spanning games like Poker, Stratego, and Hanabi. At the same time, little is known about provable equilibrium convergence for MARL algorithms applied to EFGs as they stumble upon the inherent nonconvexity of the optimization landscape and the failure of the value-iteration subroutine in EFGs. To this goal, we utilize contemporary advances in nonconvex optimization theory to prove that regularized alternating policy gradient with (i) direct policy parametrization, (ii) softmax policy parametrization, and (iii) softmax policy parametrization with natural policy gradient updates converge to an approximate Nash equilibrium (NE) in the last-iterate in imperfectinformation perfect-recall zero-sum EFGs. Namely, we observe that since the individual utilities are concave with respect to the sequence-form strategy, they satisfy gradient dominance with respect to the behavioral strategy--or, policy, in reinforcement learning terms. We exploit this structure to further prove that the regularized utility satisfies the much stronger proximal Polyak-Łojasiewicz condition. In turn, we show that the different flavors of alternating policy gradient methods converge to an ϵ-approximate NE with a number of iterations and trajectory samples that are polynomial in 1/ϵand the natural parameters of the game. Our work is a preliminary--yet principled--attempt in bridging the conceptual gap between the theory of Markov and imperfect-information EFGs while it aspires to stimulate a deeper dialogue between them.


29f1595d10229ee89dcc8abbbd9c5d87-Paper-Conference.pdf

Neural Information Processing Systems

Adversarial learning is a widely used paradigm in machine learning, often formulated as a min-max optimization problem where the inner maximization imposes adversarial constraints to guide the outer learner toward more robust solutions.