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Parameter estimation in systems biology models using spline approximation.

ABSTRACT: BACKGROUND: Mathematical models for revealing the dynamics and interactions properties of biological systems play an important role in computational systems biology. The inference of model parameter values from time-course data can be considered as a "reverse engineering" process and is still one of the most challenging tasks. Many parameter estimation methods have been developed but none of these methods is effective for all cases and can overwhelm all other approaches. Instead, various methods have their advantages and disadvantages. It is worth to develop parameter estimation methods which are robust against noise, efficient in computation and flexible enough to meet different constraints. RESULTS: Two parameter estimation methods of combining spline theory with Linear Programming (LP) and Nonlinear Programming (NLP) are developed. These methods remove the need for ODE solvers during the identification process. Our analysis shows that the augmented cost function surfaces used in the two proposed methods are smoother; which can ease the optima searching process and hence enhance the robustness and speed of the search algorithm. Moreover, the cores of our algorithms are LP and NLP based, which are flexible and consequently additional constraints can be embedded/removed easily. Eight system biology models are used for testing the proposed approaches. Our results confirm that the proposed methods are both efficient and robust. CONCLUSIONS: The proposed approaches have general application to identify unknown parameter values of a wide range of systems biology models.

SUBMITTER: Zhan C

PROVIDER: S-EPMC3750107 | biostudies-literature | 2011

REPOSITORIES: biostudies-literature

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Parameter estimation in systems biology models using spline approximation.

Zhan Choujun C Yeung Lam F LF

BMC systems biology 20110124

<h4>Background</h4>Mathematical models for revealing the dynamics and interactions properties of biological systems play an important role in computational systems biology. The inference of model parameter values from time-course data can be considered as a "reverse engineering" process and is still one of the most challenging tasks. Many parameter estimation methods have been developed but none of these methods is effective for all cases and can overwhelm all other approaches. Instead, various ...[more]

PMID: 21255466

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Project description:BackgroundMathematical models play a key role in systems biology: they summarize the currently available knowledge in a way that allows to make experimentally verifiable predictions. Model calibration consists of finding the parameters that give the best fit to a set of experimental data, which entails minimizing a cost function that measures the goodness of this fit. Most mathematical models in systems biology present three characteristics which make this problem very difficult to solve: they are highly non-linear, they have a large number of parameters to be estimated, and the information content of the available experimental data is frequently scarce. Hence, there is a need for global optimization methods capable of solving this problem efficiently.ResultsA new approach for parameter estimation of large scale models, called Cooperative Enhanced Scatter Search (CeSS), is presented. Its key feature is the cooperation between different programs ("threads") that run in parallel in different processors. Each thread implements a state of the art metaheuristic, the enhanced Scatter Search algorithm (eSS). Cooperation, meaning information sharing between threads, modifies the systemic properties of the algorithm and allows to speed up performance. Two parameter estimation problems involving models related with the central carbon metabolism of E. coli which include different regulatory levels (metabolic and transcriptional) are used as case studies. The performance and capabilities of the method are also evaluated using benchmark problems of large-scale global optimization, with excellent results.ConclusionsThe cooperative CeSS strategy is a general purpose technique that can be applied to any model calibration problem. Its capability has been demonstrated by calibrating two large-scale models of different characteristics, improving the performance of previously existing methods in both cases. The cooperative metaheuristic presented here can be easily extended to incorporate other global and local search solvers and specific structural information for particular classes of problems.

Dataset Information

Parameter estimation in systems biology models using spline approximation.

Publications

Parameter estimation in systems biology models using spline approximation.

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