Preprint Article Version 1 Preserved in Portico This version is not peer-reviewed

Multi-Objective Optimization of Experiments Using Curvature and Fisher Information Matrix

Version 1 : Received: 14 September 2017 / Approved: 15 September 2017 / Online: 15 September 2017 (11:07:52 CEST)

A peer-reviewed article of this Preprint also exists.

Manesso, E.; Sridharan, S.; Gunawan, R. Multi-Objective Optimization of Experiments Using Curvature and Fisher Information Matrix. Processes 2017, 5, 63. Manesso, E.; Sridharan, S.; Gunawan, R. Multi-Objective Optimization of Experiments Using Curvature and Fisher Information Matrix. Processes 2017, 5, 63.

Abstract

The bottleneck in creating dynamic models of biological networks and processes often lies in estimating unknown kinetic model parameters from experimental data. In this regard, experimental conditions have a strong influence on parameter identifiability and should therefore be optimized to give the maximum information for parameter estimation. Existing model-based design of experiment (MBDOE) methods commonly rely on the Fisher Information Matrix (FIM) for defining a metric of data informativeness. When the model behavior is highly nonlinear, FIM-based criteria may lead to suboptimal designs since the FIM only accounts for the linear variation of the model outputs with respect to the parameters. In this work, we developed a multi-objective optimization (MOO) MBDOE, where model nonlinearity was taken into consideration through the use of curvature. The proposed MOO MBDOE involved maximizing data informativeness using a FIM-based metric and at the same time minimizing the model curvature. We demonstrated the advantages of the MOO MBDOE over existing FIM-based and other curvature-based MBDOEs in an application to the kinetic modeling of fed-batch fermentation of Baker's yeast.

Keywords

design of experiments; multi-objective optimization; Fisher information matrix; curvature; biological processes; mathematical modeling

Subject

Computer Science and Mathematics, Applied Mathematics

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