CASIA OpenIR
An improved weighted multiplicative scatter correction algorithm with the use of variable selection: Application to near-infrared spectra
Yifan Wu1,2; Silong Peng1,2; Qiong Xie1; Quanjie Han1,2; Genwei Zhang3; Haigang Sun4
Source PublicationChemometrics and Intelligent Laboratory Systems
ISSN0169-7439
2019-01
Issue185Pages:114-121
SubtypeSCI
Abstract

Multiplicative light scattering has posed great challenge in near-infrared (NIR) quantitative analysis. When estimating the scattering parameters, uninformative variables for scattering effects may bias the estimation. Weighted least squares (WLS) can be used to avoid the influence of the uninformative variables. In this work, we proposed an improved weighted multiplicative scatter correction algorithm with the use of variable selection(WMSCVS). Baseline is removed first and then variable selection is used to obtain the optimal weights of WLS in estimating multiplicative parameters. The variable selection algorithm, which is designed based on model population analysis (MPA), implements an iterative optimization process. In each iteration, weighted bootstrap sampling (WBS) is used to generate variable subsets and exponentially decreasing function (EDF) is used to control the number of sampled variables. The interpretability and stability of the variable selection results as well as the predictive performance of the corrected spectra were investigated by using two NIR datasets. The experimental results showed that the proposed WMSCVS could give better predictive performance than the state-of-art correction methods.

KeywordMultiplicative Scatter Correction Weighted Least Squares Variable Selection Model Population Analysis
MOST Discipline Catalogue工学
DOI10.1016/j.chemolab.2019.01.005
URL查看原文
Indexed BySCI
Language英语
Citation statistics
Document Type期刊论文
Identifierhttp://ir.ia.ac.cn/handle/173211/23536
Collection中国科学院自动化研究所
智能制造技术与系统研究中心_多维数据分析
Corresponding AuthorSilong Peng
Affiliation1.Institute of Automation, Chinese Academy of Sciences, 100190, Beijing, China
2.University of Chinese Academy of Sciences, 100190, Beijing, China
3.State Key Laboratory of NBC Protection for Civilian, Beijing, 102205, China
4.GWDC Mud Logging Company, CNPC, 124010, Panjin, China
First Author AffilicationInstitute of Automation, Chinese Academy of Sciences
Corresponding Author AffilicationInstitute of Automation, Chinese Academy of Sciences
Recommended Citation
GB/T 7714
Yifan Wu,Silong Peng,Qiong Xie,et al. An improved weighted multiplicative scatter correction algorithm with the use of variable selection: Application to near-infrared spectra[J]. Chemometrics and Intelligent Laboratory Systems,2019(185):114-121.
APA Yifan Wu,Silong Peng,Qiong Xie,Quanjie Han,Genwei Zhang,&Haigang Sun.(2019).An improved weighted multiplicative scatter correction algorithm with the use of variable selection: Application to near-infrared spectra.Chemometrics and Intelligent Laboratory Systems(185),114-121.
MLA Yifan Wu,et al."An improved weighted multiplicative scatter correction algorithm with the use of variable selection: Application to near-infrared spectra".Chemometrics and Intelligent Laboratory Systems .185(2019):114-121.
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