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Dual stacked partial least squares for analysis of near-infrared spectra
Bi, Yiming; Xie, Qiong; Peng, Silong; et al.; Qiong Xie
Source PublicationANALYTICA CHIMICA ACTA
2013-08-20
Volume792Issue:792Pages:19-27
SubtypeArticle
AbstractA new ensemble learning algorithm is presented for quantitative analysis of near-infrared spectra. The algorithm contains two steps of stacked regression and Partial Least Squares (PLS), termed Dual Stacked Partial Least Squares (DSPLS) algorithm. First, several sub-models were generated from the whole calibration set. The inner-stack step was implemented on sub-intervals of the spectrum. Then the outer-stack step was used to combine these sub-models. Several combination rules of the outer-stack step were analyzed for the proposed DSPLS algorithm. In addition, a novel selective weighting rule was also involved to select a subset of all available sub-models. Experiments on two public near-infrared datasets demonstrate that the proposed DSPLS with selective weighting rule provided superior prediction performance and outperformed the conventional PLS algorithm. Compared with the single model, the new ensemble model can provide more robust prediction result and can be considered an alternative choice for quantitative analytical applications.
KeywordPartial Least Squares ensemble Learning selective Weighting Rule multivariate Calibration near-infrared Spectra
WOS HeadingsScience & Technology ; Physical Sciences
WOS KeywordMULTIVARIATE CALIBRATION ; ENSEMBLE METHODS ; NIR SPECTRA ; REGRESSION ; SPECTROSCOPY ; SELECTION ; MODEL
Indexed BySCI
Language英语
WOS Research AreaChemistry
WOS SubjectChemistry, Analytical
WOS IDWOS:000323468300003
Citation statistics
Cited Times:8[WOS]   [WOS Record]     [Related Records in WOS]
Document Type期刊论文
Identifierhttp://ir.ia.ac.cn/handle/173211/2901
Collection智能制造技术与系统研究中心_多维数据分析
Corresponding AuthorQiong Xie
Recommended Citation
GB/T 7714
Bi, Yiming,Xie, Qiong,Peng, Silong,et al. Dual stacked partial least squares for analysis of near-infrared spectra[J]. ANALYTICA CHIMICA ACTA,2013,792(792):19-27.
APA Bi, Yiming,Xie, Qiong,Peng, Silong,et al.,&Qiong Xie.(2013).Dual stacked partial least squares for analysis of near-infrared spectra.ANALYTICA CHIMICA ACTA,792(792),19-27.
MLA Bi, Yiming,et al."Dual stacked partial least squares for analysis of near-infrared spectra".ANALYTICA CHIMICA ACTA 792.792(2013):19-27.
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