0


复杂反应网络的有效模拟

Efficient Simulation of Complex Reaction Networks
课程网址: http://videolectures.net/eccs07_barzel_esc/  
主讲教师: Baruch Barzel
开课单位: 耶路撒冷希伯来大学
开课时间: 2007-11-27
课程语种: 英语
中文简介:
复杂反应网络通常出现在自然系统中。一些例子是化学,生态,代谢和基因表达网络。这些网络可以通过图表来描述,其中节点代表活性物种,边缘代表反应。这些网络的计算机模拟通常使用速率方程来完成,速率方程提供时间依赖性。反应物种的浓度以及反应速率。这些方程易于构建,有效地进行数值整合。然而,它们只适用于活性物种种群较多且波动可忽略不计的情况。如果活性物种出现在低拷贝数中,则需要基于主方程的随机方法。但是,主方程式不可行。复杂网络,因为方程的数量随着活性物种的数量而呈指数增长。在这里,我们提出了一种基于矩方程的新计算方法,它大大减少了方程的数量。它能够有效地模拟任何复杂程度的波动反应网络。该方法每个反应物种只需要一个方程,每个反应只需要一个方程式,因此随机模拟的平均数减少到绝对最小值。在不损害结果准确性的情况下实现减少。
课程简介: Complex reaction networks commonly appear in natural systems. Some examples are chemical, ecological, metabolic and gene-expression networks.These networks can be described by graphs, in which the nodesrepresent reactive species and the edges represent reactions.Computer simulations of these networks are commonly done using rate equations,which provide the time dependent concentrations of thereactive species as well as the reaction rates.These equations are easy to construct and efficient to integrate numerically. However, they are applicable only whenthe populations of reactive species are large andfluctuations are negligible.In case that the reactive species appear in low copy numbers,stochastic methods, based on the master equation, are needed.However, the master equation is not feasible for complex networks,because the number of equations proliferatesexponentially with the number of reactive species.Here we present a new computational method, based on moment equations, which dramatically reduces the number of equations.It enables to efficiently simulate fluctuating reactionnetworks of any level of complexity.The method requires only one equation for each reactive speciesand one equation for each reaction,thus reducing the number of equtaions to the absolute minimum for a stochastic simulation. The reduction is achieved with no compromise in the accuracy of the results.
关 键 词: 复杂反应网络; 速率方程; 活性物种
课程来源: 视频讲座网
最后编审: 2020-07-31:yumf
阅读次数: 71