Introduction of a mutation specific fast non-dominated sorting GA evolved for biochemical optimizations

  • Authors:
  • Susanne Rosenthal;Nail El-Sourani;Markus Borschbach

  • Affiliations:
  • Faculty of Computer Science, Chair of Optimized Systems, University of Applied Sciences, FHDW, Bergisch Gladbach, Germany;Faculty of Computer Science, Chair of Optimized Systems, University of Applied Sciences, FHDW, Bergisch Gladbach, Germany;Faculty of Computer Science, Chair of Optimized Systems, University of Applied Sciences, FHDW, Bergisch Gladbach, Germany

  • Venue:
  • SEAL'12 Proceedings of the 9th international conference on Simulated Evolution and Learning
  • Year:
  • 2012

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Abstract

In many physiochemical and biological phenomena, molecules have to comply with multiple optimized biophysical feature constraints. Mathematical modeling of these biochemical problems consequently results in multi-objective optimization. This study presents a special fast non-dominated sorting genetic algorithm (GA) incorporating different types of mutation (referred to as MSNSGA-II) for resolving multiple diverse requirements for molecule bioactivity with an early convergence in a comparable low number of generations. Hence, MSNSGA-II is based on a character codification and its performance is benchmarked via a specific three-dimensional optimization problem. Three objective functions are provided by the BioJava library: Needleman Wunsch algorithm, hydrophilicity and molecular weight. The performance of our proposed algorithm is tested using several mutation operators: A deterministic dynamic, a self-adaptive, a dynamic adaptive and two further mutation schemes with mutation rates based on the Gaussian distribution. Furthermore, we expose the comparison of MSNSGA-II with the classic NSGA-II in performance.