Artificial Neural Networks Applied in the Analysis of Chemical Data(Ⅰ)──Approximation for Trend and Over-fitting

Chem. J. Chinese Universities ›› 1996, Vol. 17 ›› Issue (6): 861.

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Artificial Neural Networks Applied in the Analysis of Chemical Data(Ⅰ)──Approximation for Trend and Over-fitting

LIU Ping, LIANG Yi-Zeng, ZHANG Lin, YU Ru-Qin

Insititue of Chemometrics and Chemical Sensing Technology, Hunan University, Changsha 410082

Received:1995-05-11 Online:1996-06-24 Published:1996-06-24

Abstract

Abstract: Over-fitting in feedforward multilayer neural network was studied in this paper.Approximation error and the degree of approximation were introduced as the evaluation index for modelling in ANN.Numerical simulation and real pharmaceutical spectrophotometricdata were analyzed by the proposed method.Results showed that the index was simple,convenient and described properly the quantitative degree of approxirnation for trend by ANN.

Key words: Artificial neural network, Over-fitting, Approximation-error, Degree of approximation, Multicomponent nonlinear calibration

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LIU Ping, LIANG Yi-Zeng, ZHANG Lin, YU Ru-Qin. Artificial Neural Networks Applied in the Analysis of Chemical Data(Ⅰ)──Approximation for Trend and Over-fitting[J]. Chem. J. Chinese Universities, 1996, 17(6): 861.

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Artificial Neural Networks Applied in the Analysis of Chemical Data(Ⅰ)──Approximation for Trend and Over-fitting

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