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Here we propose the Reweighted Autoencoded Variational Bayes for Enhanced Sampling (RAVE) method, a new iterative scheme that uses the deep learning framework of variational autoencoders to enhance sampling in molecular simulations. RAVE…

Chemical Physics · Physics 2018-02-13 Joao Marcelo Lamim Ribeiro , Pablo Bravo Collado , Yihang Wang , Pratyush Tiwary

We propose a novel framework for analyzing the dynamics of distribution shift in real-world systems that captures the feedback loop between learning algorithms and the distributions on which they are deployed. Prior work largely models…

Machine Learning · Computer Science 2023-10-31 Lauren Conger , Franca Hoffmann , Eric Mazumdar , Lillian Ratliff

Reinforcement learning (RL) enables robots to learn skills from interactions with the real world. In practice, the unstructured step-based exploration used in Deep RL -- often very successful in simulation -- leads to jerky motion patterns…

Machine Learning · Computer Science 2022-09-16 Antonin Raffin , Jens Kober , Freek Stulp

Adversarial attacks against language models(LMs) are a significant concern. In particular, adversarial samples exploit the model's sensitivity to small input changes. While these changes appear insignificant on the semantics of the input…

Computation and Language · Computer Science 2024-02-06 Aly M. Kassem , Sherif Saad

Reinforcement learning (RL) has emerged as a potent paradigm for autonomous decision-making in complex environments. However, the integration of event-driven decision processes within RL remains a challenge. This paper presents a novel…

Systems and Control · Electrical Eng. & Systems 2025-05-22 Md Nur-A-Adam Dony

Deep Reinforcement Learning (DRL) has been successfully applied in several research domains such as robot navigation and automated video game playing. However, these methods require excessive computation and interaction with the…

Machine Learning · Computer Science 2020-04-07 Ayberk Aydın , Elif Surer

Constrained Markov decision processes (CMDPs) model scenarios of sequential decision making with multiple objectives that are increasingly important in many applications. However, the model is often unknown and must be learned online while…

Machine Learning · Computer Science 2023-01-30 Krishna C Kalagarla , Rahul Jain , Pierluigi Nuzzo

We propose a metalearning approach for learning gradient-based reinforcement learning (RL) algorithms. The idea is to evolve a differentiable loss function, such that an agent, which optimizes its policy to minimize this loss, will achieve…

Machine Learning · Computer Science 2018-05-01 Rein Houthooft , Richard Y. Chen , Phillip Isola , Bradly C. Stadie , Filip Wolski , Jonathan Ho , Pieter Abbeel

Offline reinforcement learning (RL) shows promise of applying RL to real-world problems by effectively utilizing previously collected data. Most existing offline RL algorithms use regularization or constraints to suppress extrapolation…

Machine Learning · Computer Science 2021-10-20 Xiaoteng Ma , Yiqin Yang , Hao Hu , Qihan Liu , Jun Yang , Chongjie Zhang , Qianchuan Zhao , Bin Liang

Solving jigsaw puzzles has been extensively studied. While most existing models focus on solving either small-scale puzzles or puzzles with no gap between fragments, solving large-scale puzzles with gaps presents distinctive challenges in…

Computer Vision and Pattern Recognition · Computer Science 2025-04-15 Xingke Song , Xiaoying Yang , Chenglin Yao , Jianfeng Ren , Ruibin Bai , Xin Chen , Xudong Jiang

We consider un-discounted reinforcement learning (RL) in Markov decision processes (MDPs) under drifting non-stationarity, i.e., both the reward and state transition distributions are allowed to evolve over time, as long as their respective…

Machine Learning · Computer Science 2020-06-26 Wang Chi Cheung , David Simchi-Levi , Ruihao Zhu

This work advances randomized exploration in reinforcement learning (RL) with function approximation modeled by linear mixture MDPs. We establish the first prior-dependent Bayesian regret bound for RL with function approximation; and refine…

Machine Learning · Statistics 2024-03-19 Yingru Li , Zhi-Quan Luo

Sequential Bayesian optimal experimental design (SBOED) for PDE-governed inverse problems is computationally challenging, especially for infinite-dimensional random field parameters. High-fidelity approaches require repeated forward and…

Optimization and Control · Mathematics 2026-01-12 Kaichen Shen , Peng Chen

Preference-based Reinforcement Learning (PbRL) is a paradigm in which an RL agent learns to optimize a task using pair-wise preference-based feedback over trajectories, rather than explicit reward signals. While PbRL has demonstrated…

Machine Learning · Computer Science 2024-04-18 Wenhao Zhan , Masatoshi Uehara , Wen Sun , Jason D. Lee

The use of Potential-Based Reward Shaping (PBRS) has shown great promise in the ongoing research effort to tackle sample inefficiency in Reinforcement Learning (RL). However, choosing the right potential function remains an open challenge.…

Machine Learning · Computer Science 2025-08-12 Giuseppe Canonaco , Leo Ardon , Alberto Pozanco , Daniel Borrajo

Visual model-based reinforcement learning (MBRL) agents can perform well on the training distribution, but often break down once the test environment shifts. In visual MBRL, recognizing that a shift has occurred is often the easier part;…

Machine Learning · Computer Science 2026-05-01 Haiyang Zhao

With the widespread adoption of electric vehicles (EVs), navigating for EV drivers to select a cost-effective charging station has become an important yet challenging issue due to dynamic traffic conditions, fluctuating electricity prices,…

Machine Learning · Computer Science 2025-02-28 Tianyang Qi , Shibo Chen , Jun Zhang

In response to the limitations of reinforcement learning and evolutionary algorithms (EAs) in complex problem-solving, Evolutionary Reinforcement Learning (EvoRL) has emerged as a synergistic solution. EvoRL integrates EAs and reinforcement…

Neural and Evolutionary Computing · Computer Science 2024-02-22 Yuanguo Lin , Fan Lin , Guorong Cai , Hong Chen , Lixin Zou , Pengcheng Wu

Distribution system state estimation (DSSE) is paramount for effective state monitoring and control. However, stochastic outputs of renewables and asynchronous streaming of multi-rate measurements in practical systems largely degrade the…

Systems and Control · Electrical Eng. & Systems 2023-10-23 Ying Zhang , Junbo Zhao , Di Shi , Sungjoo Chung

In recent studies on model-based reinforcement learning (MBRL), incorporating uncertainty in forward dynamics is a state-of-the-art strategy to enhance learning performance, making MBRLs competitive to cutting-edge model free methods,…

Machine Learning · Computer Science 2019-10-08 Masashi Okada , Tadahiro Taniguchi