A comparison of a common approach to partial least squares-discriminant analysis and classical least squares in hyperspectral imaging

被引:35
|
作者
Amigo, Jose Manuel [1 ]
Ravn, Carsten [2 ,3 ]
Gallagher, Neal B. [4 ]
Bro, Rasmus [1 ]
机构
[1] Univ Copenhagen, Fac Life Sci, Dept Food Sci Qual & Technol, DK-1958 Frederiksberg C, Denmark
[2] Univ Copenhagen, Fac Pharmaceut Sci, DK-2100 Copenhagen O, Denmark
[3] Novo Nordisk AS, DK-2760 Malov, Denmark
[4] Eigenvector Res Inc, Manson, WA 98831 USA
关键词
Hyperspectral imaging; CLS; PLS-DA; PLS-Classification; PLS-Class; MULTIVARIATE CALIBRATION; INFORMATION; QUALITY;
D O I
10.1016/j.ijpharm.2009.02.014
中图分类号
R9 [药学];
学科分类号
1007 ;
摘要
In hyperspectral analysis, PLS-discriminant analysis (PLS-DA) is being increasingly used in conjunction with pure spectra where it is often referred to as PLS-Classification (PLS-Class). PLS-Class has been presented as a novel approach making it possible to obtain qualitative information about the distribution of the compounds in each pixel using little a priori knowledge about the image (only the pure spectrum of each compound is needed). In this short note it is shown that the PLS-Class model is the same as a straightforward classical least squares (CLS) model and it is highlighted that it is more appropriate to view this approach as CLS rather than PLS-DA. A real example illustrates the results of applying both PLS-Class and CLS. (C) 2009 Elsevier B.V. All rights reserved.
引用
收藏
页码:179 / 182
页数:4
相关论文
共 50 条
  • [1] Classification of Mosquitoes with Infrared Spectroscopy and Partial Least Squares-Discriminant Analysis
    Sroute, Lamyae
    Byrd, Brian D.
    Huffman, Scott W.
    APPLIED SPECTROSCOPY, 2020, 74 (08) : 900 - 912
  • [2] SAS® partial least squares for discriminant analysis
    Reeves, James B., III
    Delwiche, Stephen R.
    JOURNAL OF NEAR INFRARED SPECTROSCOPY, 2008, 16 (01) : 31 - 38
  • [3] Powered partial least squares discriminant analysis
    Liland, Kristian Hovde
    Indahl, Ulf Geir
    JOURNAL OF CHEMOMETRICS, 2009, 23 (1-2) : 7 - 18
  • [4] Metabolomics Based on H-1 NMR and Partial Least Squares-Discriminant Analysis
    Baddini, Ana Luisa Q.
    Pereira Netto, Annibal D.
    Teixeira, Valeria L.
    REVISTA VIRTUAL DE QUIMICA, 2014, 6 (02) : 396 - 415
  • [5] Discrimination of healthy and osteoarthritic articular cartilages by Fourier transform infrared imaging and partial least squares-discriminant analysis
    Zhang, Xue-Xi
    Yin, Jian-Hua
    Mao, Zhi-Hua
    Xia, Yang
    JOURNAL OF BIOMEDICAL OPTICS, 2015, 20 (06)
  • [6] Partial Least Squares-discriminant Analysis for the Prediction of Hemodynamic Changes Using Near Infrared Spectroscopy
    Seo, Youngwook
    Lee, Seungduk
    Koh, Dalkwon
    Kim, Beop-Min
    JOURNAL OF THE OPTICAL SOCIETY OF KOREA, 2012, 16 (01) : 57 - 62
  • [7] Evaluation of the effect of chance correlations on variable selection using Partial Least Squares-Discriminant Analysis
    Kuligowski, Julia
    Perez-Guaita, David
    Escobar, Javier
    de la Guardia, Miguel
    Vento, Maximo
    Ferrer, Alberto
    Quintas, Guillermo
    TALANTA, 2013, 116 : 835 - 840
  • [8] A tutorial review: Metabolomics and partial least squares-discriminant analysis - a marriage of convenience or a shotgun wedding
    Gromski, Piotr S.
    Muhamadali, Howbeer
    Ellis, David I.
    Xu, Yun
    Correa, Elon
    Turner, Michael L.
    Goodacre, Royston
    ANALYTICA CHIMICA ACTA, 2015, 879 : 10 - 23
  • [9] Discriminant partial least squares analysis on compositional data
    Gallo, Michele
    STATISTICAL MODELLING, 2010, 10 (01) : 41 - 56
  • [10] Two approaches for discriminant partial least squares
    Sabatier, R
    Vivien, M
    Amenta, P
    BETWEEN DATA SCIENCE AND APPLIED DATA ANALYSIS, 2003, : 100 - 108