StriderNet: A Graph Reinforcement Learning Approach to Optimize Atomic Structures on Rough Energy Landscapes

Vaibhav Bihani, Sahil Manchanda, Srikanth Sastry, Sayan Ranu, N. M. Anoop Krishnan. StriderNet: A Graph Reinforcement Learning Approach to Optimize Atomic Structures on Rough Energy Landscapes. In Andreas Krause 0001, Emma Brunskill, KyungHyun Cho, Barbara Engelhardt, Sivan Sabato, Jonathan Scarlett, editors, International Conference on Machine Learning, ICML 2023, 23-29 July 2023, Honolulu, Hawaii, USA. Volume 202 of Proceedings of Machine Learning Research, pages 2431-2451, PMLR, 2023. [doi]

Abstract

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