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首页> 外文期刊>The Journal of Chemical Physics >Approximate method for stochastic chemical kinetics with two-time scales by chemical Langevin equations
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Approximate method for stochastic chemical kinetics with two-time scales by chemical Langevin equations

机译:化学朗格文方程的二次标度随机化学动力学近似方法

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The frequently used reduction technique is based on the chemical master equation for stochastic chemical kinetics with two-time scales, which yields the modified stochastic simulation algorithm (SSA). For the chemical reaction processes involving a large number of molecular species and reactions, the collection of slow reactions may still include a large number of molecular species and reactions. Consequently, the SSA is still computationally expensive. Because the chemical Langevin equations (CLEs) can effectively work for a large number of molecular species and reactions, this paper develops a reduction method based on the CLE by the stochastic averaging principle developed in the work of Khasminskii and Yin [SIAM J. Appl. Math. 56, 1766-1793 (1996); ibid. 56, 1794-1819 (1996)] to average out the fast-reacting variables. This reduction method leads to a limit averaging system, which is an approximation of the slow reactions. Because in the stochastic chemical kinetics, the CLE is seen as the approximation of the SSA, the limit averaging system can be treated as the approximation of the slow reactions. As an application, we examine the reduction of computation complexity for the gene regulatory networks with two-time scales driven by intrinsic noise. For linear and nonlinear protein production functions, the simulations show that the sample average (expectation) of the limit averaging system is close to that of the slow-reaction process based on the SSA. It demonstrates that the limit averaging system is an efficient approximation of the slow-reaction process in the sense of the weak convergence. Published by AIP Publishing.
机译:常用的还原技术基于具有两次标度的随机化学动力学的化学主方程,产生了改进的随机模拟算法(SSA)。对于涉及大量分子种类和反应的化学反应过程,缓慢反应的收集仍可能包括大量分子种类和反应。因此,SSA在计算上仍然很昂贵。由于化学朗格文方程(CLE)可以有效地处理大量的分子种类和反应,因此本文根据Khasminskii和Yin [SIAM J. Appl。数学。 56,1766-1793(1996);同上56,1794-1819(1996)]来平均快速反应变量。这种还原方法导致极限平均系统,它是慢反应的近似值。因为在随机化学动力学中,CLE被视为SSA的近似值,所以可以将极限平均系统视为慢反应的近似值。作为一种应用,我们研究了由固有噪声驱动的具有两次标度的基因调节网络的计算复杂度的降低。对于线性和非线性蛋白质生产函数,仿真显示极限平均系统的样本平均值(期望值)接近于基于SSA的慢反应过程的平均值。它表明,在弱收敛的意义上,极限平均系统是慢反应过程的有效近似。由AIP Publishing发布。

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