no code implementations • ICLR 2021 • Xiufeng Yang, Tanuj Kr Aasawat, Kazuki Yoshizoe
In this paper, we propose a novel massively parallel Monte-Carlo Tree Search (MP-MCTS) algorithm that works efficiently for 1, 000 worker scale, and apply it to molecular design.
2 code implementations • 29 Sep 2017 • Xiufeng Yang, Jinzhe Zhang, Kazuki Yoshizoe, Kei Terayama, Koji Tsuda
Automatic design of organic materials requires black-box optimization in a vast chemical space.
Chemical Physics Computational Engineering, Finance, and Science