马尔可夫跳跃过程的稳态概率,以转换率矩阵的幂表示。

IF 3.1 2区 化学 Q3 CHEMISTRY, PHYSICAL
Diego Frezzato
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引用次数: 0

摘要

静止状态下的几种动态都可以用有限数量的 N 个代表性点之间的马尔可夫跳跃过程来描述。在处理动力学方面的问题之前,一个基本问题是如何表达各站点的先验稳态占用概率。特别是,我们希望超越单纯的黑箱计算工具,找到明确显示跳跃率常数的表达式,从而对网络进行潜在的设计/控制。对于强连接网络,如果所有位点都处于唯一的静止状态,我们将用一个公式来表达占据概率,该公式涉及阶数为 N - 1 的过渡率矩阵的幂。尽管我们提到的是热平衡或非平衡稳态条件下的(生物)化学网络动力学,但在相同的假设条件下,这些结果对任何马尔可夫跃迁过程都是有效的。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Steady-state probabilities for Markov jump processes in terms of powers of the transition rate matrix.

Several types of dynamics at stationarity can be described in terms of a Markov jump process among a finite number N of representative sites. Before dealing with the dynamical aspects, one basic problem consists in expressing the a priori steady-state occupation probabilities of the sites. In particular, one wishes to go beyond the mere black-box computational tools and find expressions in which the jump rate constants appear explicitly, therefore allowing for a potential design/control of the network. For strongly connected networks admitting a unique stationary state with all sites populated, here we express the occupation probabilities in terms of a formula that involves powers of the transition rate matrix up to order N - 1. We also provide an expression of the derivatives with respect to the jump rate constants, possibly useful in sensitivity analysis frameworks. Although we refer to dynamics in (bio)chemical networks at thermal equilibrium or under nonequilibrium steady-state conditions, the results are valid for any Markov jump process under the same assumptions.

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来源期刊
Journal of Chemical Physics
Journal of Chemical Physics 物理-物理:原子、分子和化学物理
CiteScore
7.40
自引率
15.90%
发文量
1615
审稿时长
2 months
期刊介绍: The Journal of Chemical Physics publishes quantitative and rigorous science of long-lasting value in methods and applications of chemical physics. The Journal also publishes brief Communications of significant new findings, Perspectives on the latest advances in the field, and Special Topic issues. The Journal focuses on innovative research in experimental and theoretical areas of chemical physics, including spectroscopy, dynamics, kinetics, statistical mechanics, and quantum mechanics. In addition, topical areas such as polymers, soft matter, materials, surfaces/interfaces, and systems of biological relevance are of increasing importance. Topical coverage includes: Theoretical Methods and Algorithms Advanced Experimental Techniques Atoms, Molecules, and Clusters Liquids, Glasses, and Crystals Surfaces, Interfaces, and Materials Polymers and Soft Matter Biological Molecules and Networks.
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