论文标题
基于KRON的模型订单减少开放式质量动力学化学反应网络
Kron-based Model-order Reduction of Open Mass-action Kinetics Chemical Reaction Networks
论文作者
论文摘要
我们提出了一种基于KRON的模型级还原方法，用于具有恒定流入和成比例流出的质量动力学化学反应网络（CRN）。还原阶的模型保留了CRN结构，我们确定所得的还原模型的DC获得或零时的模型与全阶的模型相同。随后，我们介绍了KRON还原开放式CRN的频谱交织特性，并提出将基于Gramians的方法用于单物种单物质化学网络，以使近似误差的上限并确定它在确定良好的节点时使用它的上限。最后，我们在两个众所周知的生化动力学模型中评估了结果的适用性和功效：激活的污泥模型（ASM）1和McKeithan的T细胞受体模型。
We propose a Kron-based model-order reduction method for mass-action kinetics chemical reaction networks (CRN) with constant inflow and proportional outflow. The reduced-order models preserve the CRN structure and we establish that the resulting reduced-order models have the same DC-gain or zero-moment as that of the full-order ones. Subsequently, we present the spectrum interlacing property of the Kron-reduced open CRN and propose the use of Gramians-based approach for single-species single-substrate chemical network to get the upper-bound of approximation error and to use it in determining a good set of nodes to be removed systematically. Finally, we evaluate the applicability and efficacy of our results in two well-known biochemical kinetic models: the activated sludge model (ASM) 1 and McKeithan's T-cell receptor model.
