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Dual stacked partial least squares for analysis of near-infrared spectra

文献类型：期刊论文

作者Bi, Yiming1; Xie, Qiong1; Peng, Silong1; Tang, Liang1; Hu, Yong1; Tan, Jie1; Zhao, Yuhui2; Li, Changwen3; Qiong Xie
刊名ANALYTICA CHIMICA ACTA
出版日期2013-08-20
卷号792页码:19-27
关键词Partial least squares Ensemble learning Selective weighting rule Multivariate calibration Near-infrared spectra
英文摘要A 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. (c) 2013 Elsevier B.V. All rights reserved.
WOS标题词Science & Technology ; Physical Sciences
类目[WOS]Chemistry, Analytical
研究领域[WOS]Chemistry
关键词[WOS]MULTIVARIATE CALIBRATION ; ENSEMBLE METHODS ; NIR SPECTRA ; REGRESSION ; SPECTROSCOPY ; SELECTION ; MODEL
收录类别SCI
语种英语
WOS记录号WOS:000323468300003
源URL[http://ir.ia.ac.cn/handle/173211/2901]  
专题自动化研究所_智能制造技术与系统研究中心_多维数据分析团队
通讯作者Qiong Xie
作者单位1.Chinese Acad Sci, Inst Automat, Beijing 100190, Peoples R China
2.Northeastern Univ Qinhuangdao, Sch Business & Econ, Qinhuangdao 066000, Peoples R China
3.Tianjin Tasty Grp, Food Res Inst, Tianjin 300410, Peoples R China
推荐引用方式
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,2013,792:19-27.
APA Bi, Yiming.,Xie, Qiong.,Peng, Silong.,Tang, Liang.,Hu, Yong.,...&Qiong Xie.(2013).Dual stacked partial least squares for analysis of near-infrared spectra.ANALYTICA CHIMICA ACTA,792,19-27.
MLA Bi, Yiming,et al."Dual stacked partial least squares for analysis of near-infrared spectra".ANALYTICA CHIMICA ACTA 792(2013):19-27.

入库方式： OAI收割

来源：自动化研究所

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