Journal
ANALYTICA CHIMICA ACTA
Volume 461, Issue 2, Pages 189-200Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/S0003-2670(02)00272-6
Keywords
FT-IR spectroscopy; genetic algorithm; wavelength selection; variable selection; multivariate calibration; PLS
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Variable selection using a genetic algorithm is combined with partial least squares (PLS) for the prediction of additive concentrations in polymer films using Fourier transform-infrared (FT-IR) spectral data. An approach using an iterative application of the genetic algorithm is proposed. This approach allows for all variables to be considered and at the same time minimizes the risk of overfitting. We demonstrate that the variables selected by the genetic algorithm are consistent with expert knowledge. This very exciting result is a convincing application that the algorithm can select correct variables in an automated fashion. (C) 2002 Elsevier Science B.V. All rights reserved.
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