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Machine learning force fields have emerged as promising tools for molecular dynamics (MD) simulations, potentially offering quantum-mechanical accuracy with the efficiency of classical MD. Inspired by foundational large language models,…

Computational Physics · Physics 2025-11-14 Denan Li , Jiyuan Yang , Xiangkai Chen , Lintao Yu , Shi Liu

Traversing intersections is a challenging problem for autonomous vehicles, especially when the intersections do not have traffic control. Recently deep reinforcement learning has received massive attention due to its success in dealing with…

Robotics · Computer Science 2022-07-12 Shivesh Khaitan , John M. Dolan

Several applications in the scientific simulation of physical systems can be formulated as control/optimization problems. The computational models for such systems generally contain hyperparameters, which control solution fidelity and…

Computational Physics · Physics 2020-12-09 Suraj Pawar , Romit Maulik

Reinforcement Learning (RL) remains a central optimisation framework in machine learning. Although RL agents can converge to optimal solutions, the definition of ``optimality'' depends on the environment's statistical properties. The…

Machine Learning · Computer Science 2026-01-14 Bert Verbruggen , Arne Vanhoyweghen , Vincent Ginis

Many relevant tasks require an agent to reach a certain state, or to manipulate objects into a desired configuration. For example, we might want a robot to align and assemble a gear onto an axle or insert and turn a key in a lock. These…

Artificial Intelligence · Computer Science 2018-07-24 Carlos Florensa , David Held , Markus Wulfmeier , Michael Zhang , Pieter Abbeel

In recent years, quantum-enhanced machine learning has emerged as a particularly fruitful application of quantum algorithms, covering aspects of supervised, unsupervised and reinforcement learning. Reinforcement learning offers numerous…

Quantum Physics · Physics 2022-08-03 A. Hamann , V. Dunjko , S. Wölk

Solving control tasks in complex environments automatically through learning offers great potential. While contemporary techniques from deep reinforcement learning (DRL) provide effective solutions, their decision-making is not transparent.…

Machine Learning · Computer Science 2023-07-03 Martin Tappler , Edi Muškardin , Bernhard K. Aichernig , Bettina Könighofer

We investigate the applicability of deep reinforcement learning algorithms to the adaptive initial access beam alignment problem for mmWave communications using the state-of-the-art proximal policy optimization algorithm as an example. In…

Information Theory · Computer Science 2023-02-20 Daniel Tandler , Sebastian Dörner , Marc Gauger , Stephan ten Brink

Mathematical and computational tools have proven to be reliable in decision-making processes. In recent times, in particular, machine learning-based methods are becoming increasingly popular as advanced support tools. When dealing with…

Optimization and Control · Mathematics 2024-02-23 Christina Schenk , Aditya Vasudevan , Maciej Haranczyk , Ignacio Romero

Modern machine learning pipelines leverage large amounts of public data, making it infeasible to guarantee data quality and leaving models open to poisoning and backdoor attacks. Provably bounding model behavior under such attacks remains…

Machine Learning · Computer Science 2024-10-31 Philip Sosnin , Mark N. Müller , Maximilian Baader , Calvin Tsay , Matthew Wicker

In this paper, we propose a reinforcement learning-based algorithm for trajectory optimization for constrained dynamical systems. This problem is motivated by the fact that for most robotic systems, the dynamics may not always be known.…

Machine Learning · Statistics 2020-03-05 Kei Ota , Devesh K. Jha , Tomoaki Oiki , Mamoru Miura , Takashi Nammoto , Daniel Nikovski , Toshisada Mariyama

A scalable and resource-efficient quantum reinforcement learning framework is presented that eliminates the linear qubit-scaling barrier in multi-step quantum Markov decision processes (QMDPs). The proposed framework integrates a QMDP…

Quantum Physics · Physics 2026-04-23 Thet Htar Su , Shaswot Shresthamali , Masaaki Kondo

Ensuring that reinforcement learning (RL) controllers satisfy safety and reliability constraints in real-world settings remains challenging: state-avoidance and constrained Markov decision processes often fail to capture trajectory-level…

Machine Learning · Computer Science 2026-04-06 Alper Kamil Bozkurt , Calin Belta , Ming C. Lin

Obstacle avoidance for small unmanned aircraft is vital for the safety of future urban air mobility (UAM) and Unmanned Aircraft System (UAS) Traffic Management (UTM). There are many techniques for real-time robust drone guidance, but many…

Robotics · Computer Science 2021-11-16 Jueming Hu , Xuxi Yang , Weichang Wang , Peng Wei , Lei Ying , Yongming Liu

The increasing adoption of Reinforcement Learning in safety-critical systems domains such as autonomous vehicles, health, and aviation raises the need for ensuring their safety. Existing safety mechanisms such as adversarial training,…

Machine Learning · Computer Science 2021-11-11 Paulina Stevia Nouwou Mindom , Amin Nikanjam , Foutse Khomh , John Mullins

Deep reinforcement learning has recently seen huge success across multiple areas in the robotics domain. Owing to the limitations of gathering real-world data, i.e., sample inefficiency and the cost of collecting it, simulation environments…

Machine Learning · Computer Science 2021-07-09 Wenshuai Zhao , Jorge Peña Queralta , Tomi Westerlund

Equipping agents with memory is essential for solving real-world long-horizon problems. However, most existing agent memory mechanisms rely on static and hand-crafted workflows. This limits the performance and generalization ability of…

Artificial Intelligence · Computer Science 2026-03-30 Yupeng Huo , Yaxi Lu , Zhong Zhang , Haotian Chen , Yankai Lin

Reaching tasks with random targets and obstacles is a challenging task for robotic manipulators. In this study, we propose a novel model-free reinforcement learning approach based on proximal policy optimization (PPO) for training a deep…

Robotics · Computer Science 2023-02-10 Yongliang Wang , Hamidreza Kasaei

Optimizing the injection process in particle accelerators is crucial for enhancing beam quality and operational efficiency. This paper presents a framework for utilizing Reinforcement Learning (RL) to optimize the injection process at…

Accelerator Physics · Physics 2025-03-19 Awal Awal , Jan Hetzel , Ralf Gebel , Jörg Pretz

As humans, our goals and our environment are persistently changing throughout our lifetime based on our experiences, actions, and internal and external drives. In contrast, typical reinforcement learning problem set-ups consider decision…

Machine Learning · Computer Science 2020-06-19 Annie Xie , James Harrison , Chelsea Finn