title: A New Local Modelling Approach Based on Predicted Errors for Near-Infrared Spectral Analysis.
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.
authors.affiliation: School of Instrumentation Science & Opto-Electronics Engineering, Beihang University, Beijing 100191, China.
authors.forename: Haitao
authors.initials: H
authors.lastname: Chang
authors.affiliation: Beijing Key Laboratory for Optoelectronic Measurement Technology, Beijing Information Science & Technology University, Beijing 100192, China.
authors.forename: Lianqing
authors.identifier: 0000-0003-0400-2567
authors.initials: L
authors.lastname: Zhu
authors.affiliation: Beijing Key Laboratory for Optoelectronic Measurement Technology, Beijing Information Science & Technology University, Beijing 100192, China.
authors.forename: Xiaoping
authors.initials: X
authors.lastname: Lou
authors.affiliation: Beijing Key Laboratory for Optoelectronic Measurement Technology, Beijing Information Science & Technology University, Beijing 100192, China.
authors.forename: Xiaochen
authors.initials: X
authors.lastname: Meng
authors.affiliation: Beijing Key Laboratory for Optoelectronic Measurement Technology, Beijing Information Science & Technology University, Beijing 100192, China.
authors.forename: Yangkuan
authors.initials: Y
authors.lastname: Guo
authors.affiliation: School of Instrumentation Science & Opto-Electronics Engineering, Beihang University, Beijing 100191, China.
authors.forename: Zhongyu
authors.initials: Z
authors.lastname: Wang