Computing Committor Functions for the Study of Rare Events Using Deep Learning
This provides an alternative practical method for studying rare events in high-dimensional systems, which is incremental as it builds on existing techniques.
The paper tackled the challenge of computing committor functions for rare transitions in complex systems by introducing a deep learning-based approach, achieving good performance on benchmark problems with rough energy landscapes.
The committor function is a central object of study in understanding transitions between metastable states in complex systems. However, computing the committor function for realistic systems at low temperatures is a challenging task, due to the curse of dimensionality and the scarcity of transition data. In this paper, we introduce a computational approach that overcomes these issues and achieves good performance on complex benchmark problems with rough energy landscapes. The new approach combines deep learning, data sampling and feature engineering techniques. This establishes an alternative practical method for studying rare transition events between metastable states in complex, high dimensional systems.