Abstract

AbstractRecent developments in curve fitting, multivariate calibration, and pattern recognition in chemometrics, and their application to x‐ray spectrometry, are reviewed. Relatively innovated algorithms, namely genetic algorithms, neural networks and support vector machines, are discussed. Together with the three algorithms, the performances of different algorithms are compared briefly, which mainly includes principal component analysis, partial least‐squares regression, factor analysis, cluster analysis, nearest neighbor methods, linear discriminant analysis, linear learning machine, and soft independent modeling of class analogy. In general, the chemometrics methods are superior to the conventional methods, such as Fourier transform and Marquardt–Levenberg algorithms, to a certain extent. Copyright © 2006 John Wiley & Sons, Ltd.

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