Computing Transition Pathways for the Study of Rare Events Using Deep Reinforcement Learning

arXiv:2404.05905v1 Announce Type: cross
Abstract: Understanding the transition events between metastable states in complex systems is an important subject in the fields of computational physics, chemistry and biology. The transition pathway plays an important role in characterizing the mechanism underlying the transition, for example, in the study of conformational changes of bio-molecules. In fact, computing the transition pathway is a challenging task for complex and high-dimensional systems. In this work, we formulate the path-finding task as a cost minimization problem …

abstract arxiv biology chemistry complex systems computational computing cs.lg cs.na events example fields math.na physics physics.comp-ph reinforcement reinforcement learning role stat.ml study systems transition type understanding