Elimination of uninformative variables for multivariate calibration

被引:887
作者
Centner, V
Massart, DL
deNoord, OE
deJong, S
Vandeginste, BM
Sterna, C
机构
[1] FREE UNIV BRUSSELS,CHEMOAC,B-1090 BRUSSELS,BELGIUM
[2] KONINKLIJKE SHELL INT CHEM BV,NL-1030 BN AMSTERDAM,NETHERLANDS
[3] UNILEVER RES LABS VLAARDINGEN,NL-3130 AC VLAARDINGEN,NETHERLANDS
[4] RHONE POULENC,F-69153 DECINES CHARPIEU,FRANCE
关键词
D O I
10.1021/ac960321m
中图分类号
O65 [分析化学];
学科分类号
070302 ; 081704 ;
摘要
A new method for the elimination of uninformative variables in multivariate data sets is proposed. To achieve this, artificial (noise) variables are added and a closed form of the PLS or PCR model is obtained for the data set containing the experimental and the artificial variables. The experimental variables that do not have more importance than the artificial variables, as judged from a criterion based on the b coefficients, are eliminated. The performance of the method is evaluated on simulated data, Practical aspects are discussed on experimentally obtained near-IR data sets, It is concluded that the elimination of uninformative variables can improve predictive ability.
引用
收藏
页码:3851 / 3858
页数:8
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