Non-stationary forward flux sampling
Non-stationary forward flux sampling
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DOI：
10.1063/1.4704810
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发表时间：
2012-05-07
影响因子：
4.4
通讯作者：
ten Wolde, Pieter Rein
中科院分区：
文献类型：
--
作者：
Becker, Nils B.;Allen, Rosalind J.;ten Wolde, Pieter Rein
我们提出了一种方法，非平稳正向通量采样，它允许在平稳和非平稳随机系统中有效地模拟罕见事件。该方法使用随机分支和剪枝来实现相空间和时间轨迹的均匀采样，从而准确估计时变开关倾向和时变相空间概率密度。它适用于平衡或非平衡系统，处于或非稳态，包括非马尔可夫系统或外部驱动系统。我们通过将该技术应用于一个可以精确解决的一维障碍穿越问题来证明它的有效性，并通过将其应用于遗传拨动开关的时变开关来证明它的实用性。(C) 2012年美国物理研究所。[http://dx.doi.org/10.1063/1.4704810]
We present a method, Non-Stationary Forward Flux Sampling, that allows efficient simulation of rare events in both stationary and non-stationary stochastic systems. The method uses stochastic branching and pruning to achieve uniform sampling of trajectories in phase space and time, leading to accurate estimates for time-dependent switching propensities and time-dependent phase space probability densities. It is suitable for equilibrium or non-equilibrium systems, in or out of stationary state, including non-Markovian or externally driven systems. We demonstrate the validity of the technique by applying it to a one-dimensional barrier crossing problem that can be solved exactly, and show its usefulness by applying it to the time-dependent switching of a genetic toggle switch. (C) 2012 American Institute of Physics. [http://dx.doi.org/10.1063/1.4704810]