论文标题

在山丘关系和亚稳态过程的平均反应时间

On the Hill relation and the mean reaction time for metastable processes

论文作者

Baudel, Manon, Guyader, Arnaud, Lelièvre, Tony

论文摘要

我们说明了如何使用山丘关系和准平台分布的概念来分析文献中许多数值程序所引入的偏见误差,尤其是分子动力学,以计算马尔可夫过程中稳态状态之间的平均反应时间。理论发现在各种示例中进行了说明,这些例子证明了偏见误差分析的清晰度以及我们的研究对椭圆扩散的适用性。

We illustrate how the Hill relation and the notion of quasi-stationary distribution can be used to analyse the biasing error introduced by many numerical procedures that have been proposed in the literature, in particular in molecular dynamics, to compute mean reaction times between metastable states for Markov processes. The theoretical findings are illustrated on various examples demonstrating the sharpness of the biasing error analysis as well as the applicability of our study to elliptic diffusions.

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