Choice of Damping Coefficient in Langevin Dynamics
Robert D. Skeel, Carsten Hartmann
TL;DR
This paper explores how to optimally select the damping coefficient in Langevin dynamics to enhance sampling thoroughness and discusses measures to evaluate sampling quality.
Contribution
It provides insights into choosing the damping parameter in Langevin dynamics and proposes methods to measure sampling thoroughness.
Findings
Optimal damping coefficients improve sampling efficiency.
Proposed measures effectively evaluate sampling thoroughness.
Guidelines for parameter selection in Langevin-based sampling.
Abstract
This article considers the application of Langevin dynamics to sampling and investigates how to choose the damping parameter in Langevin dynamics for the purpose of maximizing thoroughness of sampling. Also, it considers the computation of measures of sampling thoroughness.
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