Importance sampling of rare transition events in Markov processes

被引:17
作者
Cai, W [1 ]
Kalos, MH [1 ]
de Koning, M [1 ]
Bulatov, VV [1 ]
机构
[1] Lawrence Livermore Natl Lab, Livermore, CA 94550 USA
来源
PHYSICAL REVIEW E | 2002年 / 66卷 / 04期
关键词
D O I
10.1103/PhysRevE.66.046703
中图分类号
O35 [流体力学]; O53 [等离子体物理学];
学科分类号
070204 ; 080103 ; 080704 ;
摘要
We present an importance sampling technique for enhancing the efficiency of sampling rare transition events in Markov processes. Our approach is based on the design of an importance function by which the absolute probability of sampling a successful transition event is significantly enhanced, while preserving the relative probabilities among different successful transition paths. The method features an iterative stochastic algorithm for determining the optimal importance function. Given that the probability of sampling a successful transition event is enhanced by a known amount, transition rates can be readily computed. The method is illustrated in one- and two-dimensional systems.
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页数:10
相关论文
共 10 条
[1]  
[Anonymous], 1992, Markov Processes: An Introduction to Physical Scientists
[2]  
[Anonymous], CLASSICAL QUANTUM DY
[3]   Intrinsic mobility of a dissociated Dislocation in silicon [J].
Cai, W ;
Bulatov, VV ;
Justo, JF ;
Argon, AS ;
Yip, S .
PHYSICAL REVIEW LETTERS, 2000, 84 (15) :3346-3349
[4]   Kinetic Monte Carlo method for dislocation glide in silicon [J].
Cai, W ;
Bulatov, VV ;
Yip, S .
JOURNAL OF COMPUTER-AIDED MATERIALS DESIGN, 1999, 6 (2-3) :175-183
[5]  
Chandler D., 1987, INTRO MODERN STAT ME
[6]   Efficient transition path sampling: Application to Lennard-Jones cluster rearrangements [J].
Dellago, C ;
Bolhuis, PG ;
Chandler, D .
JOURNAL OF CHEMICAL PHYSICS, 1998, 108 (22) :9236-9245
[7]   First passage time Markov chain analysis of rare events for kinetic Monte Carlo: double kink nucleation during dislocation glide [J].
Deo, CS ;
Srolovitz, DJ .
MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING, 2002, 10 (05) :581-596
[8]  
Kalos M. H., 1986, MONTE CARLO METHODS
[9]  
Nightingale M., 1999, QUANTUM MONTE CARLO
[10]   MONTE-CARLO ALGORITHMS WITH ABSORBING MARKOV-CHAINS - FAST LOCAL ALGORITHMS FOR SLOW DYNAMICS [J].
NOVOTNY, MA .
PHYSICAL REVIEW LETTERS, 1995, 74 (01) :1-5