期刊论文详细信息
BMC Systems Biology
Identification of parameter correlations for parameter estimation in dynamic biological models
Quoc Dong Vu1  Pu Li1 
[1] Department of Simulation and Optimal Processes, Institute of Automation and Systems Engineering, Ilmenau University of Technology, P. O. Box 100565, 98684 Ilmenau, Germany
关键词: Experimental design;    Zero residual surfaces;    Data sets with different inputs;    Parameter correlation;    Identifiability;    Parameter estimation;   
Others  :  1142198
DOI  :  10.1186/1752-0509-7-91
 received in 2013-05-14, accepted in 2013-09-12,  发布年份 2013
PDF
【 摘 要 】

Background

One of the challenging tasks in systems biology is parameter estimation in nonlinear dynamic models. A biological model usually contains a large number of correlated parameters leading to non-identifiability problems. Although many approaches have been developed to address both structural and practical non-identifiability problems, very few studies have been made to systematically investigate parameter correlations.

Results

In this study we present an approach that is able to identify both pairwise parameter correlations and higher order interrelationships among parameters in nonlinear dynamic models. Correlations are interpreted as surfaces in the subspaces of correlated parameters. Based on the correlation information obtained in this way both structural and practical non-identifiability can be clarified. Moreover, it can be concluded from the correlation analysis that a minimum number of data sets with different inputs for experimental design are needed to relieve the parameter correlations, which corresponds to the maximum number of correlated parameters among the correlation groups.

Conclusions

The information of pairwise and higher order interrelationships among parameters in biological models gives a deeper insight into the cause of non-identifiability problems. The result of our correlation analysis provides a necessary condition for experimental design in order to acquire suitable measurement data for unique parameter estimation.

【 授权许可】

   
2013 Li and Vu; licensee BioMed Central Ltd.

【 预 览 】
附件列表
Files Size Format View
20150328003631438.pdf 1784KB PDF download
Figure 5. 99KB Image download
Figure 4. 49KB Image download
Figure 3. 66KB Image download
Figure 2. 68KB Image download
Figure 3. 143KB Image download
【 图 表 】

Figure 3.

Figure 2.

Figure 3.

Figure 4.

Figure 5.

【 参考文献 】
  • [1]Ashyraliyev M, Fomekong-Nanfack Y, Kaandorp JA, Blom JG: Systems biology: parameter estimation for biochemical models. FEBS J 2009, 276:886-902.
  • [2]Chou IC, Voit EO: Recent developments in parameter estimation and structure identification of biochemical and genomic systems. Math Biosci 2009, 219:57-83.
  • [3]Jacquez JA: Design of experiments. J Franklin Inst 1998, 335B:259-279.
  • [4]Kreutz C, Timmer J: Systems biology: experimental design. FEBS J 2009, 276:923-942.
  • [5]Bauer I, Bock HG, Körkel S, Schlöder JP: Numerical methods for optimum experimental design in DAE systems. J Comp Appl Math 2000, 120:1-25.
  • [6]Peifer M, Timmer J: Parameter estimation in ordinary differential equations for biological processes using the method of multiple shooting. IET Syst Biol 2007, 1:78-88.
  • [7]Zavala VM, Laird CD, Biegler LT: Interior-point decomposition approaches for parallel solution of large-scale nonlinear parameter estimation problems. Chem Eng Sci 2008, 63:4834-4845.
  • [8]Esposito WR, Floudas CA: Global optimization for the parameter estimation of differential-algebraic systems. Ind Eng Chem Res 2000, 39:1291-1310.
  • [9]Miró A, Pozo C, Guillén-Gosálbez G, Egea JA, Jiménez L: Deterministic global optimization algorithm based on outer approximation for the parameter estimation of nonlinear dynamic biological systems. BMC Bioinformatics 2012, 13:90. BioMed Central Full Text
  • [10]Gonzalez OR, Küper C, Jung K, Naval PC Jr, Mendoza E: Parameter estimation using simulated annealing for S-system models of biological networks. Bioinformatics 2007, 23:480-486.
  • [11]Kikuchi S, Tominaga D, Arita M, Takahashi K, Tomita M: Dynamic modelling of genetic networks using genetic algorithm and S-system. Bioinformatics 2003, 19:643-650.
  • [12]Rodriguez-Fernandez M, Egea JA, Banga JR: Novel metaheuristic for parameter estimation in nonlinear dynamic biological systems. BMC Bioinformatics 2006, 7:483. BioMed Central Full Text
  • [13]Gutenkunst RN, Waterfall JJ, Casey FP, Brown KS, Myers CR, Sethna JP: Universally sloppy parameter sensitivities in systems biology models. PLoS Comp Biol 2007, 3:1871-1878.
  • [14]Raue A, Kreutz C, Maiwald T, Klingmüller U, Timmer J: Addressing parameter identifiability by model-based experimentation. IET Syst Biol 2011, 5:120-130.
  • [15]Raue A, Kreutz C, Maiwald T, Bachmann J, Schilling M, Klingmüller U, Timmer J: Structural and practical identifiability analysis of partially observable dynamical models by exploiting the profile likelihood. Bioinformatics 2009, 25:1923-1929.
  • [16]McLean KAP, McAuley KB: Mathematical modelling of chemical processes-obtaining the best model predictions and parameter estimates using identifiability and estimability procedures. Can J Chem Eng 2012, 90:351-365.
  • [17]Chappel MJ, Godfrey KR, Vajda S: Global identifiability of the parameters of nonlinear systems with specified inputs: a comparison of methods. Math Biosci 1990, 102:41-73.
  • [18]Meshkat N, Eisenberg M, DiStefano JJ III: An algorithm for finding globally identifiable parameter combinations of nonlinear ODE models using Gröbner bases. Math Biosci 2009, 222:61-72.
  • [19]Chis OT, Banga JR, Balsa-Canto E: Structural identifiability of systems biology models: a critical comparison of methods. PLoS ONE 2011, 6:e27755.
  • [20]Vajda S, Rabitz H, Walter E, Lecourtier Y: Qualitative and quantitative identifiability analysis of nonlinear chemical kinetic models. Chem Eng Comm 1989, 83:191-219.
  • [21]Yao KZ, Shaw BM, Kou B, McAuley KB, Bacon DW: Modeling ethylene/butene copolymerization with multi-site catalysts: parameter estimability and experimental design. Polym React Eng 2003, 11:563-588.
  • [22]Chu Y, Jayaraman A, Hahn J: Parameter sensitivity analysis of IL-6 signalling pathways. IET Syst Biol 2007, 1:342-352.
  • [23]Cintrón-Arias A, Banks HT, Capaldi A, Lloyd AL: A sensitivity matrix based methodology for inverse problem formulation. J Inv Ill-Posed Problems 2009, 17:545-564.
  • [24]Dobre S, Bastogne T, Profeta C, Barberi-Heyob M, Richard A: Limits of variance-based sensitivity analysis for non-identifiability testing in high dimensional dynamic models. Automatica 2012, 48:2740-2749.
  • [25]Steiert B, Raue A, Timmer J, Kreutz C: Experimental design for parameter estimation of gene regulatory networks. PLoS ONE 2012, 7:e40052.
  • [26]Hengl S, Kreutz C, Timmer J, Maiwald T: Data-based identifiability analysis of nonlinear dynamical models. Bioinformatics 2007, 23:2612-2618.
  • [27]Bachmann J, Raue A, Schilling M, Böhm ME, Kreutz C, Kaschek D, Busch H, Gretz N, Lehmann WD, Timmer J, Klingmüller U: Division of labor by dual feedback regulators controls JAK2/STAT5 signaling over broad ligand range. Mol Sys Bio 2011, 7:516.
  • [28]Chu Y, Hahn J: Parameter set selection for estimation of nonlinear dynamic systems. AIChE J 2007, 53(11):2858-2870.
  • [29]Quaiser T, Mönnigmann M: Systematic identifiability testing for nambiguous mechanistic modeling – application to JAK-STAT, MAP kinase, and NF-κB signaling pathway models. BMC Syst Biol 2009, 3:50. BioMed Central Full Text
  • [30]Mendes P: Modeling large biological systems from functional genomic data: parameter estimation. In Foundations of Systems Biology. Cambridge MA: MIT Press; 2001:163-186.
  • [31]Moles CG, Mendes P, Banga JR: Parameter estimation in biochemical pathways: a comparison of global optimization methods. Genome Res 2003, 13:2467-2474.
  • [32]Rodriguez-Fernandez M, Mendes P, Banga JR: A hybrid approach for efficient and robust estimation in biochemical pathways. Biosystems 2006, 83:248-265.
  • [33]Faber R, Li P, Wozny G: Sequential parameter estimation for large-scale systems with multiple data sets. I: computational framework. Ind Eng Chem Res 2003, 42:5850-5860.
  • [34]Zhao C, Vu QD, Li P: A quasi-sequential parameter estimation for nonlinear dynamic systems based on multiple data profiles. Korean J Chem Eng 2013, 30:269-277.
  文献评价指标  
  下载次数:64次 浏览次数:13次