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Refined Gradient-Based Temperature Optimization for the Replica-Exchange Monte-Carlo Method

Miyata, Tatsuya et al.
arXiv (All) · Papers
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computational-physicsmachine-learning
The replica-exchange Monte-Carlo (RXMC) method is a powerful Markov-chain Monte-Carlo algorithm for sampling from multi-modal distributions, which are challenging for conventional methods. The sampling efficiency of the RXMC method depends highly on the selection of the temperatures, and finding opt
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