Author

Shan Wang

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#machine learning Preprint Oct 2026

Transition Path Sampling Using Koopman Operators and Exit-Time Optimal Control

Sampling transitions between metastable states is a central problem in dynamical systems theory and molecular dynamics in particular. A key challenge is the existence of high free-energy barriers that separate the states, making transitions extremely rare. Recent machine learning-based methods cast transition path samp...

Bo-Ya Hou, Shan Wang, Siddharth Ambekar et al. · 0 citations