Integrated time sampling design and measurement set selection for biochemical systems

Hui Yu, Hening Yu, H. Yue, Jinglin Zhou
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Abstract

The optimal experimental design (OED) for observation strategy is investigated in this paper to collect the most informative experimental data for parameter estimation. The aim is to determine the best sampling time points and also select the most valuable measurement state variables through OED. The two design objectives are integrated together as a single-objective optimisation problem in which the variables and their sampling times are weighted in an expanded time sampling framework. Three optimisation methods, i.e., the Powell's method, the sequential selection method, and the sequential quadratic programming method, are employed to solve the optimisation problem. Their computation efficiencies are compared using a biodiesel case study system simulation. Simulation results demonstrate the effectiveness of the proposed method in reducing parameter estimation uncertainties as well as reducing parameter correlations. It can also be observed that the integrated OED doesn't cost extra computation efforts when variable selection is considered together with the time sampling task.
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生化系统集成时间采样设计与测量装置选择
为了收集最具信息量的实验数据进行参数估计,本文研究了观测策略的最优实验设计。目的是通过OED确定最佳采样时间点,并选择最有价值的测量状态变量。这两个设计目标作为一个单目标优化问题集成在一起,其中变量及其采样时间在扩展时间采样框架中加权。采用Powell法、顺序选择法和顺序二次规划法三种优化方法求解优化问题。使用生物柴油案例研究系统模拟比较了它们的计算效率。仿真结果证明了该方法在降低参数估计不确定性和降低参数相关性方面的有效性。还可以观察到,当将变量选择与时间采样任务一起考虑时,集成的OED不需要额外的计算工作。
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