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An algorithm to determine sample sizes for optimization with artificial neural networks
Author(s) -
Nuchitprasittichai Aroonsri,
Cremaschi Selen
Publication year - 2013
Publication title -
aiche journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.958
H-Index - 167
eISSN - 1547-5905
pISSN - 0001-1541
DOI - 10.1002/aic.13871
Subject(s) - bootstrapping (finance) , artificial neural network , algorithm , surrogate model , computer science , sample (material) , process (computing) , sample size determination , optimization algorithm , mathematical optimization , artificial intelligence , mathematics , machine learning , statistics , chemistry , chromatography , econometrics , operating system
This article presents an algorithm developed to determine the appropriate sample size for constructing accurate artificial neural networks as surrogate models in optimization problems. In the algorithm, two model evaluation methods—cross‐validation and/or bootstrapping—are used to estimate the performance of various networks constructed with different sample sizes. The optimization of a CO 2 capture process with aqueous amines is used as the case study to illustrate the application of the algorithm. The output of the algorithm—the network constructed using the appropriate sample size—is used in a process synthesis optimization problem to test its accuracy. The results show that the model evaluation methods are successful in identifying the general trends of the underlying model and that objective function value of the optimum solution calculated using the surrogate model is within 1% of the actual value. © 2012 American Institute of Chemical Engineers AIChE J, 59: 805–812, 2013