Soft Computing Techniques Applied to Combinatorial Catalysis: A New Approach for the Discovery and Optimization of Catalytic Materials
作者： Jose M. Serra , Avelino Corma , Soledad Valero , Estefania Argente , Vicente Botti
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摘要: A soft computing technique based on the combination of Artificial Neural Networks (ANNs) and a Genetic Algorithm (GA) has been developed for discovery optimization new materials when exploring high-dimensional space. This allows experimental design in search solid with high catalytic performance simultaneously large number variables such as elemental composition, manufacture procedure variables, etc. novel integrated architecture one to strongly increase convergence compared conventional GAs. It is described how both artificial intelligence techniques are built work together. Moreover, influence algorithm configuration different parameters final have evaluated. The proposed validated using two hypothetical functions, modeled behavior multi-component catalysts explored field combinatorial catalysis.
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