LONG-RUN ACCURACY OF VARIATIONAL INTEGRATORS IN THE STOCHASTIC CONTEXT

被引:91
作者
Bou-Rabee, Nawaf [1 ]
Owhadi, Houman [2 ]
机构
[1] NYU, Courant Inst Math Sci, New York, NY 10012 USA
[2] CALTECH, Pasadena, CA 91125 USA
基金
美国国家科学基金会;
关键词
Lie-Trotter splitting; variational integrators; Ornstein-Uhlenbeck equations; Langevin equations; Boltzmann-Gibbs measure; geometric ergodicty; ERGODICITY;
D O I
10.1137/090758842
中图分类号
O29 [应用数学];
学科分类号
070104 ;
摘要
This paper presents a Lie-Trotter splitting for inertial Langevin equations (geometric Langevin algorithm) and analyzes its long-time statistical properties. The splitting is defined as a composition of a variational integrator with an Ornstein-Uhlenbeck flow. Assuming that the exact solution and the splitting are geometrically ergodic, the paper proves the discrete invariant measure of the splitting approximates the invariant measure of inertial Langevin equations to within the accuracy of the variational integrator in representing the Hamiltonian. In particular, if the variational integrator admits no energy error, then the method samples the invariant measure of inertial Langevin equations without error. Numerical validation is provided using explicit variational integrators with first-, second-, and fourth-order accuracy.
引用
收藏
页码:278 / 297
页数:20
相关论文
共 27 条
  • [1] A comparison of generalized hybrid Monte Carlo methods with and without momentum flip
    Akhmatskaya, Elena
    Bou-Rabee, Nawaf
    Reich, Sebastian
    [J]. JOURNAL OF COMPUTATIONAL PHYSICS, 2009, 228 (06) : 2256 - 2265
  • [2] [Anonymous], 2002, MARKOV PROCESS RELAT
  • [3] [Anonymous], 2009, MARKOV CHAINS STOCHA
  • [4] Bou-Rabee N, 2010, COMMUN PUR APPL MATH, V63, P655
  • [5] Stochastic variational integrators
    Bou-Rabee, Nawaf
    Owhadi, Houman
    [J]. IMA JOURNAL OF NUMERICAL ANALYSIS, 2009, 29 (02) : 421 - 443
  • [6] BOURABEE N, 2009, ARXIV07124123V3
  • [7] STOCHASTIC BOUNDARY-CONDITIONS FOR MOLECULAR-DYNAMICS SIMULATIONS OF ST2 WATER
    BRUNGER, A
    BROOKS, CL
    KARPLUS, M
    [J]. CHEMICAL PHYSICS LETTERS, 1984, 105 (05) : 495 - 500
  • [8] Numerical methods for second-order stochastic differential equations
    Burrage, Kevin
    Lenane, Ian
    Lythe, Grant
    [J]. SIAM JOURNAL ON SCIENTIFIC COMPUTING, 2007, 29 (01) : 245 - 264
  • [9] Accurate sampling using Langevin dynamics
    Bussi, Giovanni
    Parrinello, Michele
    [J]. PHYSICAL REVIEW E, 2007, 75 (05)
  • [10] Asynchronous variational integrators
    Lew, A
    Marsden, JE
    Ortiz, M
    West, M
    [J]. ARCHIVE FOR RATIONAL MECHANICS AND ANALYSIS, 2003, 167 (02) : 85 - 146