Abstract
Genetic algorithms are tools for searching in complex spaces and they have been used successfully in the system identification solution that is an inverse problem. Chromatography models are represented by systems of partial differential equations with non-linear parameters which are, in general, difficult to estimate many times. In this work a genetic algorithm is used to solve the inverse problem of parameters estimation in a model of protein adsorption by batch chromatography process. Each population individual represents a supposed condition to the direct solution of the partial differential equation system, so the computation of the fitness can be time consuming if the population is large. To avoid this difficulty, the implemented genetic algorithm divides the population into clusters, whose representatives are evaluated, while the fitness of the remaining individuals is calculated in function of their distances from the representatives. Simulation and practical studies illustrate the computational time saving of the proposed genetic algorithm and show that it is an effective solution method for this type of application.
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References
Altenhöner U, Meurer M, Strube J, Schmidt-Traub H (1997) Parameter estimation for the simulation of liquid chromatography. J Chromatogr 769:59–69
Andrés-Toro B, Besada-Portas E, Fernández-Blanco P, López-Orozco J, Girón-Sierra J (2002) Multiobjective optimization of dynamic processes by evolutionary methods. In: Proceedings of the 15th IFAC World Congress on Automatic Control, pp 342–348. Barcelona, Spain
Angelov P, Guthke R (1997) A ga-based approach to optimization of bioprocesses described by fuzzy rules. J Bioprocess Eng 16:299–301
Au W, Chan K, Yao X (2003) A novel evolutionary data mining algorithm with applications to churn prediction. IEEE Trans Evol Comput 7(6):532–545
Back T (1997) Handbook of evolutionary computation. Oxford University Press, Oxford
Benini E, Toffolo A (2002) Optimal design of horizontal-axis wind turbines using blade-element theory and evolutionary computation. J Solar Energy Eng 124(4):357–363
Davis L (1991) The handbook of genetic algorithms. Van Nostrand Reinholdm, New York
de Vasconcellos J, Silva Neto A, Santana C (2003) An inverse mass transfer problem in solid-liquid adsorption systems. Inverse Probl Eng 11(5):391–408
de Vasconcellos J, Silva Neto A, Santana C, Soeiro F (2002) Parameter estimation in adsorption columns with stochastic global optimization methods. In: 4th international conference on inverse problems in engineering, Rio de Janeiro, Brazil, pp 45–51
Deb K, Anand A, Joshi D (2002) A computationally efficient evolutionary algorithm for real-parameter optimization. Evol Comput 10:371–395
Dennis J, Schnabel R (1983) Numerical methods for unconstrained optimization and nonlinear equations. Prentice Hall, Englewood Cliffs
Eykhoff P (1974) System identification. Parameter and state estimation. Wiley, New York
Fletcher R (1987) Practical methods of optimization. Wiley, New York
Fu R, Xu T, Pan Z (2005) Modelling of the adsorption of bovine serum albumin on porous polyethylene membrane by back-propagation artificial neural network. J Membr Sci 251:137–144
Garcia S, Fernández A, Luengo J, Herrera F (2009) A study of statistical techniques and performance measures for genetics-based machine learning: accuracy and interpretability. Soft Computing 13:959–977. Published online 20th December 2008. Springer
Georgieva O, Hristozov I, Pencheva T, Tzonkov S, Hitzmann B (2003) Mathematical modelling and variable structure control systems for fed-batch fermentation of Escherichia coli. Biochem Eng Quart 17(4):293–299
Giro R, Cyrillo M, Galvâo D (2002) Designing conducting polymers using genetic algorithms. Chem Phys Lett 366(1–2):170–175
Goldberg D (1989) Genetic algorithms in search, optimization, and machine learning. Addison-Wesley, Reading
Gu T (1995) Mathematical modelling and scale-up of liquid chromatography. Springer, New York
Guiochon G, Shirazi D, Felinger A, Katti A (2006) Fundamentals of preparative and nonlinear chromatography, 2nd edn. Academic Press, London
Hee-Su K, Sung-Bae C (2001) An efficient genetic algorithm with less fitness evaluation by clustering. In: Proceedings of the 2001 IEEE congress on evolutionary computation. IEEE
Herrera F, Lozano M (2005) Editorial note: real coded genetic algorithms. special issue on real coded genetic algorithms: foundations, models and operators. Softcomputing 9(4):223–224
Herrera F, Lozano M, Sánchez AM (2003) A taxonomy for the crossover operator for real-coded genetic algorithms. an experimental study. Int J Intell Syst 18(3):309–338
Herrera F, Lozano M, Verdegay J (1998) Tackling real-coded genetic algorithms: operators and tools for the behavioral analysis. Artif Intell Rev 12(4):265–319
Horstmann BJ, Chase HA (1989) Modelling the affinity adsorption of immunoglobulin g to protein a immobilized to agarose matrices. Chem Eng Res Des 67
Jain AK, Dubes RC (1988) Algorithms for clustering data. Prentice Hall, Upper Saddle River
Jin Y (2002) Fitness approximation in evolutionary computation: A survey. In: Proceedings of the 2002 genetic and evolutionary computation conference, pp 1105–1112
Jin Y (2005) A comprehensive survey of fitness approximation in evolutionary computation. Soft Comput 9(1):3–9. Special Issue on “approximation and learning in evolutionary computation”
Karr C, Yakushin I, Nicolosi K (2000) Solving inverse initial-value, boundary-value problems via genetic algorithm. Eng Appl Artif Intell 13:625–633
Kewley R, Embrechts M (2002) Computational military tactical planning system. IEEE Trans Syst Man Cybernet Part C Appl Rev 32(2):161–171
Ljung L (1999) Model validation and model error modeling. Tech. Rep. LiTH-ISY-R-215, Lund University, Sweden
Ljung L (1999) System identification Theory for the user, 2nd edn. Prentice Hall, Upper Saddle River
Ljung L, Glad T (1994) Modeling of dynamic systems. Prentice Hall, Upper Saddle River
Manterea T, Alanderb J (2005) Evolutionary software engineering, a review. Appl Soft Comput 5(3):315–331
Michalewicz Z (1992) Genetic algorithms + data structures = evolution programs. Springer, Berlin
Montiel O, Castillo O, Melin P, Sepulveda R (2003) The evolutionary learning rule for system identification. Appl Soft Comput 3(4):343–352
Nagata Y, Chu K (2003) Optimization of a fermentation medium using neural networks and genetic algorithms. Biotechnol Lett 25(21):1837–1842
Nelder J, Mead R (1965) A simplex method for function minimization. Comput J 7(4):308–313
Oduguwa V, Tiwari A, Roy R (2005) Evolutionary computing in manufacturing industry: an overview of recent applications. Appl Soft Comput 5(3):281–299
ONeil P (1983) Advanced engineering mathematics. Wadsworth Publishing Company, Belmont
Persson P, Nilsson B (2001) Parameter estimation of protein chromatographic processes based on breakthrough curves. In: Dochain D, Perrier M (eds) Proceedings of the 8th international conference on computer applications in biotechnology. Quebec City, Canada
Roeva O, Pencheva T, et al (2004) A genetic algorithms based approach for identification of escherichia coli fed-batch fermentation. Bioautomation 1:30–41
Sheskin D (2006) Handbook of parametric and nonparametric statistical procedures, vol. 1736. Chapman & Hall//CRC, Londos/West Palm Beach
Söderstrom T, Stoica P (1994) System identification. Prentice Hall International, Hemel Hempstead, Paperback Edition
Tarantola A (2005) Inverse problem theory and model parameter estimation. SIAM
Zar J (1999) Biostatiscal analysis. Prentice Hall, Englewood Cliffs
Zhou Z, Ong Y, Nair P (2004) Hierarchical surrogate-assisted evolutionary optimization framework. In: Proceedings of IEEE congress evolutionary computation CEC’04, special session on learning and approximation in design optimization, Portland, USA, pp 1586–1593
Zhou Z, Ong Y, Nair P, Keane AJ, Lum K (2007) Combining global and local surrogate models to accelerate evolutionary optimization. IEEE Trans Syst Man Cybernet Part C Appl Rev 37(1):66–76
Acknowledgments
The authors acknowledge the financial support provided by CAPES/Brasil, Coordenação de Aperfeiçoamento de Pessoal de Nível Superior; MES/Cuba, Ministerio de Educación Superior; CNP/Brasil, Conselho Nacional de Desenvolvimento Científico e Tecnológico and FAPERJ/Brasil, Fundação Carlos Chagas Filho de Amparo à Pesquisa do estado do Rio de Janeiro. Also, the authors want to thank the suggestions of the colleagues and friends Dr. David Pelta and Dr. José L. Verdegay from Granada University in Spain.
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Irizar Mesa, M., Llanes-Santiago, O., Herrera Fernández, F. et al. An approach to parameters estimation of a chromatography model using a clustering genetic algorithm based inverse model. Soft Comput 15, 963–973 (2011). https://doi.org/10.1007/s00500-010-0638-3
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DOI: https://doi.org/10.1007/s00500-010-0638-3