随机模拟化学反应系统的加速L-leap算法

L-leaping:Accelerating the Stochastic Simulation of Chemically Reacting Systems

提出了随机模拟化学反应系统的加速L-leap算法,该算法根据leap条件确定具有最大倾向函数的反应通道的反应次数,并利用二项分布随机数生成其它反应通道在当前leap时间区间内的反应次数.L-leap算法可更好地满足leap条件.数值模拟实验表明该算法能取得更好的模拟性能.

Presented here is an L-leap method for accelerating stocastic simulation of well stirred chemically reacting systems, in which the number of reactions occuurring of a reaction channel with the largest propensity function is calculated from the leap condition and the numbers of reasons occurring of the other reaction channels are generated by using binomial random variables during a leap. The L-leap method can better satisfy the leap condition. Numerical simulation results indicate that the L-Leap method can obtain better performance than established methods.