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Chemical master versus chemical langevin for first-order reaction networks

机译:用于一级反应网络的化学母料与化学兰格温

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摘要

Markov jump processes are widely used to model interacting species in circumstances where discreteness and stochasticity are relevant. Such models have been particularly successful in computational cell biology, and in this case, the interactions are typically rst-order. The Chemical Langevin Equation is a stochastic dierential equation that can be regarded as an approximation to the underlying jump process. In particular, the Chemical Langevin Equation allows simulations to be performed more eectively. In this work, we obtain expressions for the rst and second moments of the Chemical Langevin Equation for a generic rst-order reaction network. Moreover, we show that these moments exactly match those of the under-lying jump process. Hence, in terms of means, variances and correlations, the Chemical Langevin Equation is an excellent proxy for the Chemical Master Equation. Our work assumes that a unique solution exists for the Chemical Langevin Equation. We also show that the moment matching re- sult extends to the case where a gene regulation model of Raser and O'Shea (Science, 2004) is replaced by a hybrid model that mixes elements of the Master and Langevin equations. We nish with numerical experiments on a dimerization model that involves second order reactions, showing that the two regimes continue to give similar results.
机译:在离散性和随机性相关的情况下,马尔可夫跳跃过程被广泛用于建模相互作用的物种。这样的模型在计算细胞生物学中特别成功,在这种情况下,相互作用通常是一阶的。化学Langevin方程是一个随机的微分方程,可以看作是基础跳跃过程的近似值。特别地,化学兰文芬方程式允许更有效地执行模拟。在这项工作中,我们获得了针对通用一阶反应网络的化学朗格文方程的第一和第二矩的表达式。而且,我们表明这些时刻与底层跳跃过程的时刻完全匹配。因此,就均值,方差和相关性而言,化学兰格文方程式是化学主方程式的出色替代。我们的工作假设存在化学兰文芬方程的唯一解。我们还表明,矩匹配结果扩展到了Raser和O'Shea的基因调控模型(科学,2004年)被混合了Master和Langevin方程元素的混合模型替代的情况。我们在涉及二阶反应的二聚化模型上进行了数值实验,表明这两种方案继续给出相似的结果。

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  • 年度 2008
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