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Journal of Analytical Methods in Chemistry
Volume 2016, Article ID 5416506, 8 pages
http://dx.doi.org/10.1155/2016/5416506
Research Article

A New Local Modelling Approach Based on Predicted Errors for Near-Infrared Spectral Analysis

1School of Instrumentation Science & Opto-Electronics Engineering, Beihang University, Beijing 100191, China
2Beijing Key Laboratory for Optoelectronic Measurement Technology, Beijing Information Science & Technology University, Beijing 100192, China

Received 10 March 2016; Accepted 7 June 2016

Academic Editor: Karoly Heberger

Copyright © 2016 Haitao Chang et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.

Abstract

Over the last decade, near-infrared spectroscopy, together with the use of chemometrics models, has been widely employed as an analytical tool in several industries. However, most chemical processes or analytes are multivariate and nonlinear in nature. To solve this problem, local errors regression method is presented in order to build an accurate calibration model in this paper, where a calibration subset is selected by a new similarity criterion which takes the full information of spectra, chemical property, and predicted errors. After the selection of calibration subset, the partial least squares regression is applied to build calibration model. The performance of the proposed method is demonstrated through a near-infrared spectroscopy dataset of pharmaceutical tablets. Compared with other local strategies with different similarity criterions, it has been shown that the proposed local errors regression can result in a significant improvement in terms of both prediction ability and calculation speed.