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Tuning Evolutionary Multiobjective Optimization for Closed-Loop Estimation of Chromatographic Operating Conditions

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Parallel Problem Solving from Nature – PPSN XIII (PPSN 2014)

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Abstract

Purification is an essential step in the production of biopharmaceuticals. Resources are usually limited during development to make a full assessment of operating conditions for a given purification process commonly consisting of two or more chromatographic steps. This study proposes the optimization of all operating conditions simultaneously using an evolutionary multiobjective optimization algorithm (EMOA). After formulating the closed-loop optimization problem, which is subject to constraints and resourcing issues, four state-of-the-art EMOAs — NSGAII, MOEA/D, SMS-EMOA, and ParEGO — were tuned and evaluated on test problems created from real-world data available in the literature. The simulation results revealed that the performance of an EMOA depends on the setting of the population size, and constraint and resourcing issue-handling strategies adopted. Tuning these algorithm parameters revealed that the EMOAs, in particular SMS-EMOA and ParEGO, are able to discover reliably within 100 evaluations operating conditions that lead to high levels of yield and product purity.

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References

  1. Pollock, J., Bolton, G., Coffman, J., Ho, S.V., Bracewell, D.G., Farid, S.S.: Optimising the design and operation of semi-continuous affinity chromatography for clinical and commercial manufacture. Journal of Chromatography A 1284, 17–27 (2013)

    Article  Google Scholar 

  2. Susanto, A., Treier, K., Knieps-Grünhagen, E., von Lieres, E., Hubbuch, J.: High throughput screening for the design and optimization of chromatographic processes: automated optimization of chromatographic phase systems. Chemical Engineering & Technology 32(1), 140–154 (2009)

    Article  Google Scholar 

  3. Guiochon, G.: Preparative liquid chromatography. Journal of Chromatography A 965(1), 129–161 (2002)

    Article  Google Scholar 

  4. Irizar Mesa, M., Llanes-Santiago, O., Herrera Fernández, F., Curbelo Rodríguez, C., Da Silva Neto, A.J., Câmara, L.D.T.: An approach to parameters estimation of a chromatography model using a clustering genetic algorithm based inverse model. Soft Computing 15(5), 963–973 (2011)

    Article  Google Scholar 

  5. Ferreira, S.L.C., Bruns, R.E., Ferreira, H.S., Matos, G.D., David, J.M., Brandao, G.C., da Silva, E.G.P., Portugal, L.A., dos Reis, P.S., Souza, A.S., dos Santos, W.N.L.: Box-behnken design: An alternative for the optimization of analytical methods. Analytica Chimica Acta 597(2), 179–186 (2007)

    Article  Google Scholar 

  6. GE Healthcare Life Sciences. A platform approach for the purification of antibody fragments (fabs). Application note 29-0320-66 AA (2012)

    Google Scholar 

  7. Treier, K., Berg, A., Diederich, P., Lang, K., Osberghaus, A., Dismer, F., Hubbuch, J.: Examination of a genetic algorithm for the application in high-throughput downstream process development. Biotechnology Journal 7, 1203–1215 (2012)

    Article  Google Scholar 

  8. Nfor, B.K., Zuluaga, D.S., Verheijen, P.J.T., Verhaert, P.D.E.M., van der Wielen, L.A.M., Ottens, M.: Model-based rational strategy for chromatographic resin selection. Biotechnology Progress 27(6), 1629–1643 (2001)

    Article  Google Scholar 

  9. Allmendinger, R., Knowles, J.: On handling ephemeral resource constraints in evolutionary search. Evolutionary Computation 21(3), 497–531 (2013)

    Article  Google Scholar 

  10. Allmendinger, R., Knowles, J.: ‘Hang On a Minute’: Investigations on the Effects of Delayed Objective Functions in Multiobjective Optimization. In: Purshouse, R.C., Fleming, P.J., Fonseca, C.M., Greco, S., Shaw, J. (eds.) EMO 2013. LNCS, vol. 7811, pp. 6–20. Springer, Heidelberg (2013)

    Chapter  Google Scholar 

  11. Deb, K., Agrawal, S., Pratap, A., Meyarivan, T.: A fast and elitist multiobjective genetic algorithm: NSGA-II. IEEE Transactions on Evolutionary Computation 6(2), 182–197 (2002)

    Article  Google Scholar 

  12. Zhang, Q., Hui, L.: MOEA/D: a multiobjective evolutionary algorithm based on decomposition. IEEE Transactions on Evolutionary Computation 11(6), 712–731 (2007)

    Article  Google Scholar 

  13. Beume, N., Naujoks, B., Emmerich, M.: SMS-EMOA: multiobjective selection based on dominated hypervolume. European Journal of Operational Research 181(3), 1653–1669 (2007)

    Article  MATH  Google Scholar 

  14. Knowles, J.: ParEGO: A hybrid algorithm with on-line landscape approximation for expensive multiobjective optimization problems. IEEE Transactions on Evolutionary Computation 10(1), 50–66 (2006)

    Article  Google Scholar 

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Allmendinger, R., Gerontas, S., Titchener-Hooker, N.J., Farid, S.S. (2014). Tuning Evolutionary Multiobjective Optimization for Closed-Loop Estimation of Chromatographic Operating Conditions. In: Bartz-Beielstein, T., Branke, J., Filipič, B., Smith, J. (eds) Parallel Problem Solving from Nature – PPSN XIII. PPSN 2014. Lecture Notes in Computer Science, vol 8672. Springer, Cham. https://doi.org/10.1007/978-3-319-10762-2_73

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  • DOI: https://doi.org/10.1007/978-3-319-10762-2_73

  • Publisher Name: Springer, Cham

  • Print ISBN: 978-3-319-10761-5

  • Online ISBN: 978-3-319-10762-2

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