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Journal of Near Infrared Spectroscopy
Volume 15 Issue 5, Pages 291–298 (2007)
doi: 10.1255/jnirs.743

 
Moving window partial least-squares discriminant analysis for identification of different kinds of bezoar samples by near infrared spectroscopy and comparison of different pattern recognition methods
Hai-Yan Fu, Shuang-Yan Huan,* Lu Xu, Li-Juan Tang, Jian-Hui Jiang, Hai-Long Wu,* Guo-Li Shen and Ru-Qin Yu
State Key Laboratory of Chemo/Biosensing & Chemometrics, College of Chemistry and Chemical Engineering, Hunan University, Changsha 410082, China. E-mail: shuangyanhuan@yahoo.com.cn, hlwu@hnu.cn
ABSTRACT:
Moving window partial least-squares (MWPLS) regression was coupled with near infrared (NIR) spectra as an interval selection method to improve the performance of partial least squares discriminant analysis (PLSDA) models. This method was applied to the identification of artificial bezoar, natural bezoar and artificial bezoar in natural bezoar and compared with some traditional pattern recognition methods, such as principal component analysis (PCA), linear discriminant analysis (LDA) and PLSDA. The introduction of MWPLS enhanced the performance of PLSDA model. The results obtained showed that moving window partial least-squares discriminant analysis (MWPLSDA) can extract wavelength intervals with useful information and build simple yet effective classification models that can significantly improve the classification accuracy. Then MWPLSDA was used to identify natural bezoar by geographical origin; a promising result was achieved. The work showed that MWPLSDA could be a promising method for quality analysis and discrimination of chinese medical herbs according to geographical origin.

Keywords: near infrared spectra, artificial bezoar, natural bezoar, pattern recognition, MWPLS, discriminant analysis