Abstract
Peptides play a key role in the development of drug candidates and diagnostic interventions, respectively. The design of peptides is cost-intensive and difficult in general for several well-known reasons. Multi-objective evolutionary algorithms (MOEAs) introduce adequate in silico methods for finding optimal peptides sequences which optimize several molecular properties. A mutation-specific fast non-dominated sorting GA (termed MSNSGA-II) was especially designed for this purpose.
In this work, an empirical study is presented about the performance of MSNSGA-II which is extended by optionally three different recombination operators. The main idea is to gain an insight into the significance of recombination for the performance of MSNSGA-II in general - and to improve the performance with these intuitive recombination methods for biochemical optimization. The benchmark test for this study is a three-dimensional optimization problem, using fitness functions provided by the BioJava library.
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References
Vainio, M.J., Johnson, M.S.: Generating conformer ensembles using a multiobjective genetic algorithm. J. Chem. Inf. Model. 47(6), 2462–2474 (2007)
Nicolaou, C.A., Brown, N., Pattichis, C.S.: Molecular optimization using computational multi-objective methods. Drug Discovery & Development 10(3), 316–324 (2007)
Knapp, B., Gicziv, V., Ribarics, R.: PeptX: Using genetic algorithms to optimize peptides for MHC binding. BMC Bioinformatics 12, 241 (2011)
Srinivas, N., Deb, K.: Multiobjective optimization using nondominated sorting in genetic algorithms. J. Evol. Comput. 2(3), 221–248 (1994)
Deb, K., Pratap, A., Agarwal, S., Meyarivan, T.: A fast and elitist multiobjective genetic algorithm: NSGA-II. IEEE Trans. Evol. Comput. 6(2), 182–197 (2002)
Zitzler, E., Thiele, L.: An evolutionary algorithm for multiobjective optimization: The strength Pareto approach. Technical report 43, Computer engineering and Networks Laboratory (TIK), Swiss Federal Institute of Technology, ETH (1999)
Zitzler, E., Laumann, M., Thiele, L.: Improving the strength pareto evolutionary algorithm. Technical report 103, Computer engineering and Networks Laboratory (TIK), Swiss Federal Institute of Technology (ETH), Zurich (2001)
Jansen, T., Wegener, I.: Real royal road functions - where crossover probably is essential. Discrete Applied Mathematics 149(1-3), 111–125 (2005)
Jansen, T., Wegener, I.: The analysis of evolutionary algorithms - a proof that crossover really can help. Algorithmica 34(1), 47–66 (2002)
Neumann, F., Theile, M.: How Crossover Speeds Up Evolutionary Algorithms for the Multi-criteria All-Pairs-Shortest-Path Problem. In: Schaefer, R., Cotta, C., Kołodziej, J., Rudolph, G. (eds.) PPSN XI, Part I. LNCS, vol. 6238, pp. 667–676. Springer, Heidelberg (2010)
Deb, K., Anand, A., Joshi, D.: A computationally Efficient Evolutionary Algorithm for Real Parameter Optimization, KanGAL report: 2002003
Ono, I., Kobayashi, S.: A real-coded genetic algorithm for functional optimization using unimodal normal distribution crossover. In: Proceedings of the 7th International Conference on Genetic Algorithms (ICGA-7), pp. 246–253 (1997)
Tsusui, S., Yamamura, M., Higuchi, T.: Multi-parent recombination with simplex crossover in real-coded genetic algorithms. In: Proceedings of the Genetic and Evolutionary Computing Conference (GECCO 1999), pp. 657–664 (1999)
Eshelman, L.J., Schaffer, J.D.: Real-coded genetic algorithms and interval schemata. In: Whitley, D. (ed.) Foundation of Genetic Algorithm II, pp. 187–202 (1993)
Deb, K., Agrawal, R.B.: Simulated binary crossover for continuous search space. Complex System 9, 115–148 (1995)
Rosenthal, S., El-Sourani, N., Borschbach, M.: Introduction of a Mutation Specific Fast Non-dominated Sorting GA Evolved for Biochemical Optimizations. In: Bui, L.T., Ong, Y.S., Hoai, N.X., Ishibuchi, H., Suganthan, P.N. (eds.) SEAL 2012. LNCS, vol. 7673, pp. 158–167. Springer, Heidelberg (2012)
Deb, K., Pratap, A., Agarwal, S., Meyarivan, T.: A fast and elitist multiobjective genetic algorithm: NSGA-II. IEEE Trans. Evol. Comput. 6(2), 182–197 (2002)
Borschbach, M.: Neural classification of biological properties and genetic operators configuration issues. Trans. on Information Science 12(2), 324–329 (2005) ISSN: 1790-0832
Bäck, T., Schütz, M.: Intelligent Mutation Rate Control in Canonical Genetic Algorithms. In: Michalewicz, M., Raś, Z.W. (eds.) ISMIS 1996. LNCS, vol. 1079, pp. 158–167. Springer, Heidelberg (1996)
BioJava: CookBook, release 3.0, http://www.biojava.org/wiki/BioJava
Needleman, S.B., Wunsch, C.D.: A general method applicable to the search for similarities in the amino acid sequence of two proteins. Journal of Molecular Biology 48(3), 443–453 (1970)
Zitzler, E., Thiele, L.: Multiobjective Optimization Using Evolutionary Algorithms - A Comparative Case Study. In: Eiben, A.E., Bäck, T., Schoenauer, M., Schwefel, H.-P. (eds.) PPSN 1998. LNCS, vol. 1498, pp. 292–301. Springer, Heidelberg (1998)
Deb, K., Joshi, D., Anand, A.: Real-coded evolutionary algorithms with parent-centric recombination. KanGAL Report No. 2001003 (2001)
Röckendorf, N., Borschbach, M., Frey, A.: Molecular evolution of peptide ligands with custom-tailored characteristics. PLOS Computational Biology (December 2012), open access journal
El-Sourani, N., Borschbach, M.: Design and Comparison of two Evolutionary Approaches for Solving the Rubik’s Cube. In: Schaefer, R., Cotta, C., Kołodziej, J., Rudolph, G. (eds.) PPSN XI, Part II. LNCS, vol. 6239, pp. 442–451. Springer, Heidelberg (2010)
Eiben, A.E., Bäck, T.: Empirical investigation of multiparent recombination operators in evolutionary strategies. Evolutionary Computation 5(3), 347–365 (1997)
Borschbach, M., Grelle, C., Hauke, S.: Divide and Evolve Driven by Human Strategies. In: Deb, K., Bhattacharya, A., Chakraborti, N., Chakroborty, P., Das, S., Dutta, J., Gupta, S.K., Jain, A., Aggarwal, V., Branke, J., Louis, S.J., Tan, K.C. (eds.) SEAL 2010. LNCS, vol. 6457, pp. 369–373. Springer, Heidelberg (2010)
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Rosenthal, S., El-Sourani, N., Borschbach, M. (2013). Impact of Different Recombination Methods in a Mutation-Specific MOEA for a Biochemical Application. In: Vanneschi, L., Bush, W.S., Giacobini, M. (eds) Evolutionary Computation, Machine Learning and Data Mining in Bioinformatics. EvoBIO 2013. Lecture Notes in Computer Science, vol 7833. Springer, Berlin, Heidelberg. https://doi.org/10.1007/978-3-642-37189-9_17
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DOI: https://doi.org/10.1007/978-3-642-37189-9_17
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