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The subtle business of model reduction for stochastic chemical kinetics

机译:随机化学动力学模型还原的微妙业务

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This paper addresses the problem of simplifying chemical reaction networks by adroitly reducing the number of reaction channels and chemical species. The analysis adopts a discrete-stochasticpoint of view and focuses on the model reaction set S1,---= S2 S3, whose simplicity allows all themathematics to be done exactly. The advantages and disadvantages of replacing this reaction set with a single S3-producing reaction are analyzed quantitatively using novel criteria for measuring simulation accuracy and simulation efficiency. It is shown that in all cases in which such a modelreduction can be accomplished accurately and with a significant gain in simulation efficiency, a procedure called the slow-scale stochastic simulation algorithm provides a robust and theoreticallytransparent way of implementing the reduction.
机译:本文旨在通过大量减少反应通道和化学物质的数量来简化化学反应网络的问题。该分析采用离散随机的观点,并着重于模型反应集S1,-== S2 S3,其简单性使得所有数学运算都能精确完成。使用测量模拟精度和模拟效率的新标准,定量分析了用单个产生S3的反应代替该反应组的优缺点。结果表明,在所有可以精确地完成模型简化并显着提高仿真效率的情况下,称为慢尺度随机仿真算法的过程为实现简化提供了鲁棒且理论上透明的方法。

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