Analytical Sciences
Online ISSN : 1348-2246
Print ISSN : 0910-6340
ISSN-L : 0910-6340
Original Papers
Robust Curve Fitting Method for Optical Spectra by Least Median Squares (LMedS) Estimator with Particle Swarm Optimization (PSO)
Hideyuki SHINZAWAJian-Hui JIANGMakio IWAHASHIYukihiro OZAKI
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JOURNALS FREE ACCESS

2007 Volume 23 Issue 7 Pages 781-785

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Abstract

A curve fitting technique for optical spectra based on a robust estimator, least median squares (LMedS), is introduced in this study. For the effective calculation of LMedS, particle swarm optimization (PSO) is also introduced. Unlike a standard curve fitting method using least squares (LS) estimator, the method based on LMedS estimator is less influenced by outliers in experimental data. Two kinds of data sets, simulated data with outliers and temperature-dependent near-infrared (NIR) spectra of oleic acid (OA) are applied for the demonstration of the proposed method. The results clearly reveal that, compared with the LS estimator, the proposed method can effectively reduce undesirable effects of low SN ratio and can yield more accurate fitting results.

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© 2007 by The Japan Society for Analytical Chemistry
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