Contraction and Convergence Rates for Discretized Kinetic Langevin Dynamics
Benedict Leimkuhler, Daniel Paulin, Peter A. Whalley

TL;DR
This paper analyzes the convergence rates of discretized kinetic Langevin dynamics for convex potentials, providing explicit stepsize conditions and introducing the concept of gamma-limit convergence to characterize underdamped schemes.
Contribution
It introduces a framework for convergence analysis with explicit rates, applies it to popular schemes, and defines the gamma-limit convergent property for Langevin methods.
Findings
Convergence rates of O(m/M) with explicit stepsize restrictions.
Identification of gamma-limit convergent schemes that are robust in high-friction limits.
Asymptotic bias estimates for the BAOAB scheme that remain accurate at high friction.
Abstract
We provide a framework to analyze the convergence of discretized kinetic Langevin dynamics for -Lipschitz, -convex potentials. Our approach gives convergence rates of , with explicit stepsize restrictions, which are of the same order as the stability threshold for Gaussian targets and are valid for a large interval of the friction parameter. We apply this methodology to various integration schemes which are popular in the molecular dynamics and machine learning communities. Further, we introduce the property ``-limit convergent" (GLC) to characterize underdamped Langevin schemes that converge to overdamped dynamics in the high-friction limit and which have stepsize restrictions that are independent of the friction parameter; we show that this property is not generic by exhibiting methods from both the class and its complement. Finally, we provide…
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Taxonomy
TopicsMarkov Chains and Monte Carlo Methods · Quantum many-body systems · Protein Structure and Dynamics
