生化反应系统的加速τ-Leap模拟算法

The Acceleratedτ-Leap Simulation Method for Biochemical Reaction Systems

该文重新定义了临界反应,以更合理地界定可能出现负分子组分的反应.在此基础上提出了加速τ-leap算法,使系统中某些反应物数目较少时也可以采用τ-leap方法进行模拟,同时提高了模拟速度.以两个生化反应系统模型为例,分别用精确的随机模拟算法、修正τ-leap算法和加速τ-leap算法进行模拟运算,结果表明加速τ-leap算法在保证精度的同时能有效提高模拟速度.

This paper redefines critical reaction. It is more reasonable to demarcate reactions which may have negative reactants. Based on the definition, the accelerated T-leap algorithm is proposed. Even if the number of some species in biochemical systems is small, the T-leap algorithm is adaptive. This algorithm also increases the speed of simulation. The accurate stochastic simulation algorithm （SSA） algorithm, an improved T-leap algorithm and the present accelerated algorithm are compared in two biochemical reaction models. Numerical results demonstrate that the proposed method is faster under the same simulation precision.