中文
相关论文

相关论文: Reinforcement Learning for Molecular Dynamics Opti…

200 篇论文

In this paper we study optimal advertising problems that models the introduction of a new product into the market in the presence of carryover effects of the advertisement and with memory effects in the level of goodwill. In particular, we…

最优化与控制 · 数学 2024-06-13 Giuseppina Guatteri , Federica Masiero

Model-free deep-reinforcement-based learning algorithms have been applied to a range of COPs~\cite{bello2016neural}~\cite{kool2018attention}~\cite{nazari2018reinforcement}. However, these approaches suffer from two key challenges when…

机器学习 · 计算机科学 2022-06-01 Nasrin Sultana , Jeffrey Chan , Tabinda Sarwar , A. K. Qin

This article considers a discrete-time robust optimal control problem on matrix Lie groups. The underlying system is assumed to be perturbed by exogenous unmeasured bounded disturbances, and the control problem is posed as a min-max optimal…

最优化与控制 · 数学 2020-07-28 Anant A. Joshi , Debasish Chatterjee , Ravi N. Banavar

Robust control of complex engineered and biological systems hinges on the integration of feedforward and feedback mechanisms. This is exemplified in neural motor control, where feedforward muscle co-contraction complements sensory-driven…

最优化与控制 · 数学 2026-03-06 Bastien Berret , Frédéric Jean

Systems involving Partial Differential Equations (PDEs) have recently become more popular among the machine learning community. However prior methods usually treat infinite dimensional problems in finite dimensions with Reduced Order…

最优化与控制 · 数学 2020-06-08 Ethan N. Evans , Marcus A. Pereira , George I. Boutselis , Evangelos A. Theodorou

We propose a framework, called neural-progressive hedging (NP), that leverages stochastic programming during the online phase of executing a reinforcement learning (RL) policy. The goal is to ensure feasibility with respect to constraints…

机器学习 · 计算机科学 2022-03-01 Supriyo Ghosh , Laura Wynter , Shiau Hong Lim , Duc Thien Nguyen

We present a general framework for optimizing the Conditional Value-at-Risk for dynamical systems using stochastic search. The framework is capable of handling the uncertainty from the initial condition, stochastic dynamics, and uncertain…

最优化与控制 · 数学 2021-02-16 Ziyi Wang , Oswin So , Keuntaek Lee , Camilo A. Duarte , Evangelos A. Theodorou

In this paper, we use concepts from supervisory control theory of discrete event systems to propose a method to learn optimal control policies for a finite-state Markov Decision Process (MDP) in which (only) certain sequences of actions are…

机器学习 · 计算机科学 2022-01-04 Arun Raman , Keerthan Shagrithaya , Shalabh Bhatnagar

We study optimality for the safety-constrained Markov decision process which is the underlying framework for safe reinforcement learning. Specifically, we consider a constrained Markov decision process (with finite states and finite…

系统与控制 · 电气工程与系统科学 2023-07-13 Rahul Misra , Rafał Wisniewski , Carsten Skovmose Kallesøe

Accurate prediction of energy and forces for 3D molecular systems is one of fundamental challenges at the core of AI for Science applications. Many powerful and data-efficient neural networks predict molecular energies and forces from…

化学物理 · 物理学 2026-04-23 Ali Mollahosseini , Mohammed Haroon Dupty , Wee Sun Lee

This paper introduces a new formulation for stochastic optimal control and stochastic dynamic optimization that ensures safety with respect to state and control constraints. The proposed methodology brings together concepts such as…

系统与控制 · 电气工程与系统科学 2021-02-19 Marcus Aloysius Pereira , Ziyi Wang , Ioannis Exarchos , Evangelos A. Theodorou

Deep learning is formulated as a discrete-time optimal control problem. This allows one to characterize necessary conditions for optimality and develop training algorithms that do not rely on gradients with respect to the trainable…

机器学习 · 计算机科学 2018-06-05 Qianxiao Li , Shuji Hao

We consider large-scale Markov decision processes with an unknown cost function and address the problem of learning a policy from a finite set of expert demonstrations. We assume that the learner is not allowed to interact with the expert…

机器学习 · 计算机科学 2021-12-30 Angeliki Kamoutsi , Goran Banjac , John Lygeros

In this review/tutorial article, we present recent progress on optimal control of partially observed Markov Decision Processes (POMDPs). We first present regularity and continuity conditions for POMDPs and their belief-MDP reductions, where…

最优化与控制 · 数学 2025-01-03 Ali Devran Kara , Serdar Yuksel

In this paper, we study the learning of safe policies in the setting of reinforcement learning problems. This is, we aim to control a Markov Decision Process (MDP) of which we do not know the transition probabilities, but we have access to…

系统与控制 · 电气工程与系统科学 2022-01-14 Santiago Paternain , Miguel Calvo-Fullana , Luiz F. O. Chamon , Alejandro Ribeiro

This work develops a control-centric framework for a custom 4-DOF rigid-body manipulator by coupling a reduced-order Pontryagin's Maximum Principle (PMP) controller with a physics-informed Gradient Descent stage. The reduced PMP model…

机器人学 · 计算机科学 2025-12-15 Brock Marcinczyk , Logan E. Beaver

The convergence of cross-modal adversarial learning and physics-driven methods represents a cutting-edge direction for tackling challenges in complex multi-modal tasks and scientific computing. This review focuses on systematically…

计算机视觉与模式识别 · 计算机科学 2024-12-03 Hana Satou , Alan Mitkiy

This paper studies the adaptive optimal stationary control of continuous-time linear stochastic systems with both additive and multiplicative noises, using reinforcement learning techniques. Based on policy iteration, a novel off-policy…

系统与控制 · 电气工程与系统科学 2021-12-07 Bo Pang , Zhong-Ping Jiang

Learning to Optimize is a recently proposed framework for learning optimization algorithms using reinforcement learning. In this paper, we explore learning an optimization algorithm for training shallow neural nets. Such high-dimensional…

机器学习 · 计算机科学 2017-12-01 Ke Li , Jitendra Malik

Linear dynamical systems that obey stochastic differential equations are canonical models. While optimal control of known systems has a rich literature, the problem is technically hard under model uncertainty and there are hardly any…

系统与控制 · 电气工程与系统科学 2023-06-09 Mohamad Kazem Shirani Faradonbeh , Mohamad Sadegh Shirani Faradonbeh