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Umbrella sampling for nonequilibrium processes

机译:非平衡过程的伞采样

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The authors introduce an algorithm for determining the steady-state probability distribution of an ergodic system arbitrarily far from equilibrium.By enforcing equal sampling of different regions of phase space,as in umbrella sampling simulations of systems at equilibrium,low probability regions are explored to a much greater extent than in physically weighted simulations.The algorithm can be used to accumulate joint statistics for an arbitrary number of order parameters for a system governed by any stochastic dynamics.They demonstrate the efficiency of the algorithm by applying it to a model of a genetic toggle switch which evolves irreversibly according to a continuous time Monte Carlo procedure.
机译:作者介绍了一种确定离平衡远的遍历系统稳态概率分布的算法。通过对相空间不同区域进行相等采样,如平衡状态下系统的伞状采样模拟,探索了低概率区域。与物理加权模拟相比,该算法的范围要大得多。该算法可用于为任意随机动力学控制的系统累积任意数量的有序参数的联合统计量。它们通过将其应用于遗传模型来证明算法的效率拨动开关根据连续时间蒙特卡洛程序不可逆地发展。

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