title: Robust curve fitting method for optical spectra by least median squares (LMedS) estimator with particle swarm optimization (PSO).
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.
authors.affiliation: Department of Chemistry, School of Science and Technology, Research Center for Near-Infrared Spectroscopy, Kwansei-Gakuin University, Hyogo, Japan.
authors.forename: Hideyuki
authors.initials: H
authors.lastname: Shinzawa
authors.forename: Jian-Hui
authors.initials: JH
authors.lastname: Jiang
authors.forename: Makio
authors.initials: M
authors.lastname: Iwahashi
authors.forename: Yukihiro
authors.initials: Y
authors.lastname: Ozaki