Variable selection in near infrared spectroscopy based on significance testing in partial least squares regression

被引:220
作者
Westad, F
Martens, H
机构
[1] MATFORSK, N-1430 As, Norway
[2] Tech Univ Denmark, Inst Biotechnol, DK-2800 Lyngby, Denmark
[3] Norwegian Univ Sci & Technol, Inst Phys Chem, N-7034 Trondheim, Norway
关键词
NIR; partial least squares regression; multivariate calibration; cross-validation; jack-knife; uncertainty estimates; variable selection;
D O I
10.1255/jnirs.271
中图分类号
O69 [应用化学];
学科分类号
081704 ;
摘要
A jack-knife based method for variable selection in partial least squares regression is presented, The method is based on significance tests of model parameters, in this paper applied to regression coefficients. The method is tested on a near infrared (NIR) spectral data set recorded on beer samples, correlated to extract concentration and compared to other methods with known merit, The results show that the jack-knife based variable selection performs as well or better than other variable selection methods do. Furthermore, results show that the method is robust towards various cross-validation schemes (the number of segments and how they are chosen),
引用
收藏
页码:117 / 124
页数:8
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