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Biased enhanced sampling methods utilizing collective variables (CVs) are powerful tools for sampling conformational ensembles. Due to high intrinsic dimensions, efficiently generating conformational ensembles for complex systems requires…

Machine Learning · Computer Science 2023-12-19 Yikai Liu , Tushar K. Ghosh , Guang Lin , Ming Chen

Model-based reinforcement learning methods learn a dynamics model with real data sampled from the environment and leverage it to generate simulated data to derive an agent. However, due to the potential distribution mismatch between…

Machine Learning · Computer Science 2020-10-29 Jian Shen , Han Zhao , Weinan Zhang , Yong Yu

Conventionally, model-based reinforcement learning (MBRL) aims to learn a global model for the dynamics of the environment. A good model can potentially enable planning algorithms to generate a large variety of behaviors and solve diverse…

Machine Learning · Computer Science 2020-02-18 Archit Sharma , Shixiang Gu , Sergey Levine , Vikash Kumar , Karol Hausman

We focus on an unloading problem, typical of the logistics sector, modeled as a sequential pick-and-place task. In this type of task, modern machine learning techniques have shown to work better than classic systems since they are more…

Robotics · Computer Science 2023-05-30 Vittorio Giammarino , Andrew J Meyer , Kai Biegun

Current reinforcement learning (RL) in robotics often experiences difficulty in generalizing to new downstream tasks due to the innate task-specific training paradigm. To alleviate it, unsupervised RL, a framework that pre-trains the agent…

Robotics · Computer Science 2022-10-13 Daesol Cho , Jigang Kim , H. Jin Kim

For over a decade, model-based reinforcement learning has been seen as a way to leverage control-based domain knowledge to improve the sample-efficiency of reinforcement learning agents. While model-based agents are conceptually appealing,…

Machine Learning · Computer Science 2021-05-28 Brandon Amos , Samuel Stanton , Denis Yarats , Andrew Gordon Wilson

One's ability to learn a generative model of the world without supervision depends on the extent to which one can construct abstract knowledge representations that generalize across experiences. To this end, capturing an accurate…

Machine Learning · Computer Science 2021-10-28 Zahra Sheikhbahaee , Dongshu Luo , Blake VanBerlo , S. Alex Yun , Adam Safron , Jesse Hoey

The application of learning-based control methods in robotics presents significant challenges. One is that model-free reinforcement learning algorithms use observation data with low sample efficiency. To address this challenge, a prevalent…

Machine Learning · Computer Science 2024-07-19 Andrey Gorodetskiy , Konstantin Mironov , Aleksandr Panov

We introduce a distributed, cooperative framework and method for Bayesian estimation and control in decentralized agent networks. Our framework combines joint estimation of time-varying global and local states with information-seeking…

Systems and Control · Computer Science 2015-09-24 Florian Meyer , Henk Wymeersch , Markus Fröhle , Franz Hlawatsch

Exemplar-based methods rely on informative data points or prototypes to guide the optimization of learning algorithms. Such data facilitate interpretable model design and prediction. Of particular interest is the utility of exemplars in…

Machine Learning · Computer Science 2022-11-22 Priya Mani , Carlotta Domeniconi

Learning-based methods have improved locomotion skills of quadruped robots through deep reinforcement learning. However, the sim-to-real gap and low sample efficiency still limit the skill transfer. To address this issue, we propose an…

Robotics · Computer Science 2024-03-19 Haojie Shi , Tingguang Li , Qingxu Zhu , Jiapeng Sheng , Lei Han , Max Q. -H. Meng

We consider the problem of learning by demonstration from agents acting in unknown stochastic Markov environments or games. Our aim is to estimate agent preferences in order to construct improved policies for the same task that the agents…

Machine Learning · Computer Science 2014-08-12 Aristide Tossou , Christos Dimitrakakis

We consider the problem of learning by demonstration from agents acting in unknown stochastic Markov environments or games. Our aim is to estimate agent preferences in order to construct improved policies for the same task that the agents…

Machine Learning · Statistics 2013-07-16 Aristide C. Y. Tossou , Christos Dimitrakakis

We propose a principled method for projecting an arbitrary square matrix to the non-convex set of asymptotically stable matrices. Leveraging ideas from large deviations theory, we show that this projection is optimal in an…

Optimization and Control · Mathematics 2023-06-21 Wouter Jongeneel , Tobias Sutter , Daniel Kuhn

Dynamic state estimation (DSE) is becoming increasingly important for monitoring inverter-dominated power systems. Due to their cascading control structures, inverter-based resources (IBRs) exhibit multi-timescale dynamics, leading to stiff…

Systems and Control · Electrical Eng. & Systems 2026-04-22 Xingyu Zhao , Marcos Netto , Junbo Zhao

We present a numerical method for learning unknown nonautonomous stochastic dynamical system, i.e., stochastic system subject to time dependent excitation or control signals. Our basic assumption is that the governing equations for the…

Machine Learning · Computer Science 2025-03-04 Yuan Chen , Dongbin Xiu

Atomistic modelling of phase transitions, chemical reactions, or other rare events that involve overcoming high free energy barriers usually entails prohibitively long simulation times. Introducing a bias potential as a function of an…

Computational Physics · Physics 2019-11-06 Federico Giberti , Bingqing Cheng , Gareth Aneurin Tribello , Michele Ceriotti

This paper investigates how to incorporate expert observations (without explicit information on expert actions) into a deep reinforcement learning setting to improve sample efficiency. First, we formulate an augmented policy loss combining…

Machine Learning · Computer Science 2025-02-28 Erhan Can Ozcan , Vittorio Giammarino , James Queeney , Ioannis Ch. Paschalidis

Reinforcement learning is commonly associated with training of reward-maximizing (or cost-minimizing) agents, in other words, controllers. It can be applied in model-free or model-based fashion, using a priori or online collected system…

Systems and Control · Electrical Eng. & Systems 2022-09-01 Lukas Beckenbach , Pavel Osinenko , Stefan Streif

In complex real-world tasks such as robotic manipulation and autonomous driving, collecting expert demonstrations is often more straightforward than specifying precise learning objectives and task descriptions. Learning from expert data can…

Robotics · Computer Science 2025-05-05 Daulet Baimukashev , Gokhan Alcan , Kevin Sebastian Luck , Ville Kyrki