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A new approach for efficiently exploring the configuration space and computing the free energy of large atomic and molecular systems is proposed, motivated by an analogy with reinforcement learning. There are two major components in this…

Chemical Physics · Physics 2018-04-18 Linfeng Zhang , Han Wang , Weinan E

Computational design optimization in fluid dynamics usually requires to solve non-linear partial differential equations numerically. In this work, we explore a Bayesian optimization approach to minimize an object's drag coefficient in…

Computational Engineering, Finance, and Science · Computer Science 2017-12-12 Stephan Eismann , Stefan Bartzsch , Stefano Ermon

Active multi-fidelity surrogate modeling is developed for multi-condition airfoil shape optimization to reduce high-fidelity CFD cost while retaining RANS-level accuracy. The framework couples a low-fidelity-informed Gaussian process…

We present a data-driven optimization framework that aims to address online adaptation of the flight path shape for an airborne wind energy system (AWE) that follows a repetitive path to generate power. Specifically, Bayesian optimization,…

Systems and Control · Electrical Eng. & Systems 2020-11-18 Ali Baheri , Chris Vermillion

This research delves into optimizing mechanism design, with an emphasis on the energy efficiency and the expansive design possibilities of reciprocating mechanisms. It investigates how to efficiently integrate Computer-Aided Design (CAD)…

Systems and Control · Electrical Eng. & Systems 2024-03-14 Abdelmajid Ben Yahya , Santiago Ramos Garces , Nick Van Oosterwyck , Annie Cuyt , Stijn Derammelaere

In continuing tasks, average-reward reinforcement learning may be a more appropriate problem formulation than the more common discounted reward formulation. As usual, learning an optimal policy in this setting typically requires a large…

Artificial Intelligence · Computer Science 2023-01-18 Yuqian Jiang , Sudarshanan Bharadwaj , Bo Wu , Rishi Shah , Ufuk Topcu , Peter Stone

Manifold learning is a central task in modern statistics and data science. Many datasets (cells, documents, images, molecules) can be represented as point clouds embedded in a high dimensional ambient space, however the degrees of freedom…

Machine Learning · Statistics 2025-02-18 Stephen Zhang , Gilles Mordant , Tetsuya Matsumoto , Geoffrey Schiebinger

The problem of identifying geometric structure in data is a cornerstone of (unsupervised) learning. As a result, Geometric Representation Learning has been widely applied across scientific and engineering domains. In this work, we…

Machine Learning · Computer Science 2025-06-03 Imran Nasim , Melanie Weber

The problem of inverse reinforcement learning (IRL) is relevant to a variety of tasks including value alignment and robot learning from demonstration. Despite significant algorithmic contributions in recent years, IRL remains an ill-posed…

Machine Learning · Computer Science 2020-11-18 Sreejith Balakrishnan , Quoc Phong Nguyen , Bryan Kian Hsiang Low , Harold Soh

Retargeting human kinematic reference motion onto a robot's morphology remains a formidable challenge. Existing methods often produce physical inconsistencies, such as foot sliding, self-collisions, or dynamically infeasible motions, which…

Robotics · Computer Science 2026-05-08 David Müller , Agon Serifi , Sammy Christen , Ruben Grandia , Espen Knoop , Moritz Bächer

Deep reinforcement learning excels in continuous control but often requires extensive exploration, while physics-based models demand complete equations and suffer cubic complexity. This study proposes Hybrid Energy-Aware Reward Shaping…

Machine Learning · Computer Science 2026-03-17 Qijun Liao , Jue Yang , Yiting Kang , Xinxin Zhao , Yong Zhang , Mingan Zhao

A major goal of materials design is to find material structures with desired properties and in a second step to find a processing path to reach one of these structures. In this paper, we propose and investigate a deep reinforcement learning…

Machine Learning · Computer Science 2021-07-09 Johannes Dornheim , Lukas Morand , Samuel Zeitvogel , Tarek Iraki , Norbert Link , Dirk Helm

One of the prevailing trends in the machine- and deep-learning community is to gravitate towards the use of increasingly larger models in order to keep pushing the state-of-the-art performance envelope. This tendency makes access to the…

Machine Learning · Computer Science 2023-05-29 Shadi Sartipi , Edgar A. Bernal

By planning through a learned dynamics model, model-based reinforcement learning (MBRL) offers the prospect of good performance with little environment interaction. However, it is common in practice for the learned model to be inaccurate,…

Machine Learning · Computer Science 2021-03-31 Behzad Haghgoo , Allan Zhou , Archit Sharma , Chelsea Finn

The design of aerodynamic shapes, such as airfoils, has traditionally required significant computational resources and relied on predefined design parameters, which limit the potential for novel shape synthesis. In this work, we introduce a…

Machine Learning · Computer Science 2024-12-19 Reid Graves , Amir Barati Farimani

Potential-based reward shaping is commonly used to incorporate prior knowledge of how to solve the task into reinforcement learning because it can formally guarantee policy invariance. As such, the optimal policy and the ordering of…

Machine Learning · Computer Science 2025-02-04 Henrik Müller , Daniel Kudenko

In this paper, we present a robotic model-based reinforcement learning method that combines ideas from model identification and model predictive control. We use a feature-based representation of the dynamics that allows the dynamics model…

Machine Learning · Computer Science 2016-03-16 Christopher Xie , Sachin Patil , Teodor Moldovan , Sergey Levine , Pieter Abbeel

Methodologies for reducing the design-space dimensionality in shape optimization have been recently developed based on unsupervised machine learning methods. These methods provide reduced dimensionality representations of the design space,…

Optimization and Control · Mathematics 2022-12-21 Andrea Serani , Matteo Diez

Aircraft manufacturing is the jewel in the crown of industry, in which generating high-fidelity airfoil geometries with controllable and editable representations remains a fundamental challenge. Existing deep learning methods, which…

Machine Learning · Computer Science 2025-12-15 Jinouwen Zhang , Junjie Ren , Qianhong Ma , Jianyu Wu , Aobo Yang , Yan Lu , Lu Chen , Hairun Xie , Jing Wang , Miao Zhang , Wanli Ouyang , Shixiang Tang

Robots are increasingly expected to manipulate objects in ever more unstructured environments where the object properties have high perceptual uncertainty from any single sensory modality. This directly impacts successful object…

Robotics · Computer Science 2022-07-15 Wenyu Liang , Fen Fang , Cihan Acar , Wei Qi Toh , Ying Sun , Qianli Xu , Yan Wu
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