Title :
A Hybrid Evolutionary Algorithm for Cluster Geometry Optimization: The Importance of Structural Elitism
Author :
Pereira, Francisco B. ; Marques, Jorge M C
Author_Institution :
Inst. Super. de Eng. de Coimbra, Coimbra
Abstract :
We report a detailed analysis on the effect of structural elitism in the global minimum search of atomic clusters by a hybrid evolutionary algorithm. Structural elitism allows to preserve a certain diversity in the population and is based on the classification of clusters as spheric, oblate, prolate or asymmetric according to their shape. The search algorithm has been applied to perform the global optimization of Morse clusters between 30 and 50 atoms. Results show that the structural elitism enhances the ability of the algorithm to discover the putative global minima.
Keywords :
Morse potential; atomic clusters; evolutionary computation; molecular configurations; optimisation; physics computing; atomic clusters; cluster geometry optimization; global minimum search; global optimization of Morse clusters; hybrid evolutionary algorithm; search algorithm; structural elitism; Algorithm design and analysis; Bonding; Clustering algorithms; Computational efficiency; Evolutionary computation; Geometry; Hybrid intelligent systems; Potential energy; Power system modeling; Shape; Diversity; Elitism; Evolutionary Computation;
Conference_Titel :
Hybrid Intelligent Systems, 2008. HIS '08. Eighth International Conference on
Conference_Location :
Barcelona
Print_ISBN :
978-0-7695-3326-1
Electronic_ISBN :
978-0-7695-3326-1
DOI :
10.1109/HIS.2008.98
