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Atomic-scale modeling has advanced rapidly through integration of machine learning, yet a key bottleneck remains. Even with an accurate potential energy surface and a clear target material, we still lack a practical atomistic dynamics…

Materials Science · Physics 2026-05-18 Wonseok Jeong , Francesca Tavazza , Brian DeCost

Multi-Agent Path Finding (MAPF) is essential to large-scale robotic systems. Recent methods have applied reinforcement learning (RL) to learn decentralized polices in partially observable environments. A fundamental challenge of obtaining…

Robotics · Computer Science 2021-06-23 Ziyuan Ma , Yudong Luo , Hang Ma

Nearly all state-of-the-art deep learning algorithms rely on error backpropagation, which is generally regarded as biologically implausible. An alternative way of training an artificial neural network is through treating each unit in the…

Machine Learning · Computer Science 2021-10-06 Stephen Chung

In this paper a deep reinforcement based multi-agent path planning approach is introduced. The experiments are realized in a simulation environment and in this environment different multi-agent path planning problems are produced. The…

Machine Learning · Computer Science 2021-10-05 Mert Çetinkaya

Molecular self-organization driven by concerted many-body interactions produces the ordered structures that define both inanimate and living matter. Understanding the physical mechanisms that govern the formation of molecular complexes and…

Chemical Physics · Physics 2023-07-21 Hendrik Jung , Roberto Covino , A Arjun , Peter G. Bolhuis , Gerhard Hummer

Multi-Agent Path Finding (MAPF) poses a significant and challenging problem critical for applications in robotics and logistics, particularly due to its combinatorial complexity and the partial observability inherent in realistic…

Multiagent Systems · Computer Science 2025-09-29 Merve Atasever , Matthew Hong , Mihir Nitin Kulkarni , Qingpei Li , Jyotirmoy V. Deshmukh

Computer-assisted synthesis planning aims to help chemists find better reaction pathways faster. Finding viable and short pathways from sugar molecules to value-added chemicals can be modeled as a retrosynthesis planning problem with a…

Other Computer Science · Computer Science 2019-11-19 Peihong Jiang , Hieu Doan , Sandeep Madireddy , Rajeev Surendran Assary , Prasanna Balaprakash

Safe and efficient autonomous driving maneuvers in an interactive and complex environment can be considerably challenging due to the unpredictable actions of other surrounding agents that may be cooperative or adversarial in their…

Robotics · Computer Science 2019-01-28 Pin Wang , Ching-Yao Chan , Hanhan Li

Autonomous Vehicles (AVs) rely on artificial intelligence (AI) to accurately detect objects and interpret their surroundings. However, even when trained using millions of miles of real-world data, AVs are often unable to detect rare failure…

Artificial Intelligence · Computer Science 2025-04-25 Mohammad Zarei , Melanie A Jutras , Eliana Evans , Mike Tan , Omid Aaramoon

Model-based reinforcement learning methods often use learning only for the purpose of estimating an approximate dynamics model, offloading the rest of the decision-making work to classical trajectory optimizers. While conceptually simple,…

Machine Learning · Computer Science 2022-12-22 Michael Janner , Yilun Du , Joshua B. Tenenbaum , Sergey Levine

The last decade has witnessed growth in the computational requirements for training deep neural networks. Current approaches (e.g., data/model parallelism, pipeline parallelism) parallelize training tasks onto multiple devices. However,…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-07-09 Siyu Wang , Yi Rong , Shiqing Fan , Zhen Zheng , LanSong Diao , Guoping Long , Jun Yang , Xiaoyong Liu , Wei Lin

Path planning in dynamic environments is a fundamental challenge in intelligent transportation and robotics, where obstacles and conditions change over time, introducing uncertainty and requiring continuous adaptation. While existing…

Robotics · Computer Science 2025-11-20 Jonas De Maeyer , Hossein Yarahmadi , Moharram Challenger

We propose an approach to learning agents for active robotic mapping, where the goal is to map the environment as quickly as possible. The agent learns to map efficiently in simulated environments by receiving rewards corresponding to how…

Robotics · Computer Science 2018-01-01 Shane Barratt

Automation underpins progress across scientific and industrial disciplines. Yet, automating tasks requiring interpretation of abstract visual information remain challenging. For example, crystal alignment strongly relies on humans with the…

Machine Learning · Computer Science 2026-04-14 J. Oppliger , M. Stifter , A. Rüegg , I. Biało , L. Martinelli , P. G. Freeman , D. Prabhakaran , J. Zhao , Q. Wang , J. Chang

Deep reinforcement learning is a technique for solving problems in a variety of environments, ranging from Atari video games to stock trading. This method leverages deep neural network models to make decisions based on observations of a…

Machine Learning · Computer Science 2022-09-13 Anthony Dowling

Atomic diffusion in solids is an important process in various phenomena. However, atomistic simulations of diffusion processes are confronted with the timescale problem: the accessible simulation time is usually far shorter than that of…

Materials Science · Physics 2023-07-12 Hao Tang , Boning Li , Yixuan Song , Mengren Liu , Haowei Xu , Guoqing Wang , Heejung Chung , Ju Li

Autonomous navigation is challenging for mobile robots, especially in an unknown environment. Commonly, the robot requires multiple sensors to map the environment, locate itself, and make a plan to reach the target. However, reinforcement…

Robotics · Computer Science 2023-03-08 Miguel Quinones-Ramirez , Jorge Rios-Martinez , Victor Uc-Cetina

Atomic-scale manipulation in scanning tunneling microscopy has enabled the creation of quantum states of matter based on artificial structures and extreme miniaturization of computational circuitry based on individual atoms. The ability to…

Mesoscale and Nanoscale Physics · Physics 2024-12-18 I-Ju Chen , Markus Aapro , Abraham Kipnis , Alexander Ilin , Peter Liljeroth , Adam S. Foster

The development of self-propelled particles at the micro- and the nanoscale has sparked a huge potential for future applications in active matter physics, microsurgery, and targeted drug delivery. However, while the latter applications…

Soft Condensed Matter · Physics 2022-08-24 Mahdi Nasiri , Benno Liebchen

Dynamic portfolio optimization is the process of sequentially allocating wealth to a collection of assets in some consecutive trading periods, based on investors' return-risk profile. Automating this process with machine learning remains a…

Machine Learning · Computer Science 2019-01-28 Pengqian Yu , Joon Sern Lee , Ilya Kulyatin , Zekun Shi , Sakyasingha Dasgupta
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