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Stochastic gradient methods for minimizing nonconvex composite objective functions typically rely on the Lipschitz smoothness of the differentiable part, but this assumption fails in many important problem classes like quadratic inverse…

Optimization and Control · Mathematics 2025-01-22 Kuangyu Ding , Jingyang Li , Kim-Chuan Toh

Entropy regularization is an important idea in reinforcement learning, with great success in recent algorithms like Soft Q Network (SQN) and Soft Actor-Critic (SAC1). In this work, we extend this idea into the on-policy realm. We propose…

Machine Learning · Computer Science 2020-10-19 Jingbin Liu , Xinyang Gu , Shuai Liu

Predictive materials synthesis is the primary bottleneck in realizing new functional and quantum materials. Strategies for synthesis of promising materials are currently identified by time-consuming trial and error approaches and there are…

Computing atomic-scale properties of chemically disordered materials requires an efficient exploration of their vast configuration space. Traditional approaches such as Monte Carlo or Special Quasirandom Structures either entail sampling an…

Materials Science · Physics 2026-03-17 Maciej J. Karcz , Luca Messina , Eiji Kawasaki , Emeric Bourasseau

We propose a novel particle-based variational inference method designed to work with multimodal distributions. Our approach, referred to as Branched Stein Variational Gradient Descent (BSVGD), extends the classical Stein Variational…

Machine Learning · Computer Science 2025-07-18 Isaías Bañales , Arturo Jaramillo , Joshué Helí Ricalde-Guerrero

We propose in this work RBM-SVGD, a stochastic version of Stein Variational Gradient Descent (SVGD) method for efficiently sampling from a given probability measure and thus useful for Bayesian inference. The method is to apply the Random…

Machine Learning · Statistics 2020-06-24 Lei Li , Yingzhou Li , Jian-Guo Liu , Zibu Liu , Jianfeng Lu

Solving inverse problems, such as parameter estimation and optimal control, is a vital part of science. Many experiments repeatedly collect data and rely on machine learning algorithms to quickly infer solutions to the associated inverse…

Machine Learning · Computer Science 2022-10-14 Philipp Holl , Vladlen Koltun , Nils Thuerey

In this paper, we propose an infinite-dimensional version of the Stein variational gradient descent (iSVGD) method for solving Bayesian inverse problems. The method can generate approximate samples from posteriors efficiently. Based on the…

Numerical Analysis · Mathematics 2026-02-09 Junxiong Jia , Peijun Li , Deyu Meng

Atomic-scale manipulation in scanning tunneling microscopy has enabled the creation of quantum states of matter based on artificial structures and extreme miniaturization of computational circuitry based on individual atoms. The ability to…

Mesoscale and Nanoscale Physics · Physics 2024-12-18 I-Ju Chen , Markus Aapro , Abraham Kipnis , Alexander Ilin , Peter Liljeroth , Adam S. Foster

Model-free reinforcement learning has emerged as a powerful method for developing robust robot control policies capable of navigating through complex and unstructured terrains. The effectiveness of these methods hinges on two essential…

Robotics · Computer Science 2024-10-15 Youwei Yu , Junhong Xu , Lantao Liu

In this contribution, we present a numerical analysis of the continuous stochastic gradient (CSG) method, including applications from topology optimization and convergence rates. In contrast to standard stochastic gradient optimization…

Optimization and Control · Mathematics 2023-03-23 Max Grieshammer , Lukas Pflug , Michael Stingl , Andrian Uihlein

Distributed Stein Variational Gradient Descent (DSVGD) is a non-parametric distributed learning framework for federated Bayesian learning, where multiple clients jointly train a machine learning model by communicating a number of non-random…

Machine Learning · Computer Science 2023-03-14 Jiarong Yang , Yuan Liu , Rahif Kassab

Due to the wide range of timescales that are present in macromolecular systems, hierarchical multiscale strategies are necessary for their computational study. Coarse-graining (CG) allows to establish a link between different system…

Policy gradient (PG) methods are a class of effective reinforcement learning algorithms, particularly when dealing with continuous control problems. They rely on fresh on-policy data, making them sample-inefficient and requiring…

Machine Learning · Computer Science 2026-02-03 Alessandro Montenegro , Federico Mansutti , Marco Mussi , Matteo Papini , Alberto Maria Metelli

Changes in demand, various hydrological inputs, and environmental stressors are among the issues that water managers and policymakers face on a regular basis. These concerns have sparked interest in applying different techniques to…

Machine Learning · Computer Science 2024-03-08 Sadegh Sadeghi Tabas , Vidya Samadi

In this work, we consider policy-based methods for solving the reinforcement learning problem, and establish the sample complexity guarantees. A policy-based algorithm typically consists of an actor and a critic. We consider using various…

Machine Learning · Computer Science 2023-01-16 Zaiwei Chen , Siva Theja Maguluri

This paper introduces an information-theoretic constraint on learned policy complexity in the Multi-Agent Deep Deterministic Policy Gradient (MADDPG) reinforcement learning algorithm. Previous research with a related approach in continuous…

Artificial Intelligence · Computer Science 2025-05-16 Tailia Malloy , Tim Klinger , Miao Liu , Matthew Riemer , Gerald Tesauro , Chris R. Sims

Problem decomposition plays a vital role when applying cooperative coevolution (CC) to large scale global optimization problems. However, most learning-based decomposition algorithms either only apply to additively separable problems or…

Neural and Evolutionary Computing · Computer Science 2021-01-20 An Chen , Zhigang Ren , Muyi Wang , Yongsheng Liang , Hanqing Liu , Wenhao Du

Control design for robotic systems is complex and often requires solving an optimization to follow a trajectory accurately. Online optimization approaches like Model Predictive Control (MPC) have been shown to achieve great tracking…

Improving the sample efficiency in reinforcement learning has been a long-standing research problem. In this work, we aim to reduce the sample complexity of existing policy gradient methods. We propose a novel policy gradient algorithm…

Machine Learning · Computer Science 2021-08-03 Pan Xu , Felicia Gao , Quanquan Gu