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arXiv 2009.12841q-bio.MN
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大型基因调控网络混合随机模拟算法的精确推导及实际应用

Exact derivation and practical application of a hybrid stochastic simulation algorithm for large gene regulatory networks

Jaroslav Albert

摘要:

提出了一种高效、精确的混合随机模拟算法(HSSA),用于模拟大型基因调控网络(GRN)的生化反应子集.该算法依赖于GRN分为两组反应A和B的可分离性,使得A中的反应可以通过随机模拟算法(SSA)进行模拟,而B组中的反应可以通过常微分方程进行确定性描述。首先,我们推导出下一个反应时间和反应类型的采样所需的精确表达式,然后给出两个例子,如何GRN可以被分割。虽然这里提出的方法可以应用于各种不同的随机系统内GRN,我们专注于模拟mRNA。为了证明该算法的准确性和效率,我们将其应用到一个三基因振荡器,首先在一个细胞,然后在一个阵列的细胞(多达64个细胞)通过分子扩散相互作用,并比较其性能的Gillespie算法(GA)。根据系统参数的特定数值,和分区本身,我们表明,我们的算法是11和445倍之间的速度比GA。

英文摘要:

We present a highly efficient and accurate hybrid stochastic simulation algorithm (HSSA) for the purpose of simulating a subset of biochemical reactions of large gene regulatory networks (GRN). The algorithm relies on the separability of a GRN into two groups of reactions, A and B, such that the reactions in A can be simulated via a stochastic simulation algorithm (SSA), while those in group B can yield to a deterministic description via ordinary differential equations. First, we derive exact expressions needed to sample the next reaction time and reaction type, and then give two examples of how a GRN can be partitioned. Although the methods presented here can be applied to a variety of different stochastic systems within GRN, we focus on simulating mRNAs in particular. To demonstrate the accuracy and efficiency of this algorithm, we apply it to a three-gene oscillator, first in one cell, and then in an array of cells (up to 64 cells) interacting via molecular diffusion, and compare its performance to the Gillespie algorithm (GA). Depending on the particular numerical values of the system parameters, and the partitioning itself, we show that our algorithm is between 11 and 445 times faster than the GA.

机构、总结、中文摘要均由AI分析而来,可能存在错误,请以论文正文为准。

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