Nature Communications (Jan 2022)

Learning in continuous action space for developing high dimensional potential energy models

  • Sukriti Manna,
  • Troy D. Loeffler,
  • Rohit Batra,
  • Suvo Banik,
  • Henry Chan,
  • Bilvin Varughese,
  • Kiran Sasikumar,
  • Michael Sternberg,
  • Tom Peterka,
  • Mathew J. Cherukara,
  • Stephen K. Gray,
  • Bobby G. Sumpter,
  • Subramanian K. R. S. Sankaranarayanan

DOI
https://doi.org/10.1038/s41467-021-27849-6
Journal volume & issue
Vol. 13, no. 1
pp. 1 – 10

Abstract

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Reinforcement learning algorithms are emerging as powerful machine learning approaches. This paper introduces a novel machine-learning approach for learning in continuous action space and applies this strategy to the generation of high dimensional potential models for a wide variety of materials.