Generalization of Powered-Partial-Least-Squares

被引:2
作者
Lavoie, Francis B. [1 ]
Muteki, Koji [2 ]
Gosselin, Ryan [1 ]
机构
[1] Univ Sherbrooke, Fac Engn, Dept Chem & Biotechnol Engn, 2500 Boul Univ, Sherbrooke, PQ J1K 2R1, Canada
[2] Pfizer Worldwide Res & Dev, SPECTech Grp, Eastern Point Rd, Groton, CT 06340 USA
关键词
PLS; Robust regression; Spectral analysis; Variable selection; VARIABLE SELECTION METHODS; PLS-REGRESSION; WAVELENGTH SELECTION; MULTIVARIATE CALIBRATION; INFRARED-SPECTROSCOPY; GENETIC ALGORITHMS; REDUCTION; TOOL; QUALITY; MODELS;
D O I
10.1016/j.chemolab.2018.05.006
中图分类号
TP [自动化技术、计算机技术];
学科分类号
0812 ;
摘要
Indahl originally proposed a variant to Wold's PLS1 algorithm in which weight coefficients were all modified by an exponent coefficient. This led to Powered-PLS (P-PLS). The aim of this paper is to revisit Indahi's P-PLS algorithm in order to make a robust and fast regression methodology calculating easy to interpret models. We first demonstrate that P-PLS is in fact a regression based on correlation maximization, but constrained by weight coefficients originally calculated in standard PLS1. From that, we propose a generalization of P-PLS by replacing the power transformation function by beta Cumulative Density Functions (beta-CDFs), leading to our proposed regression methodology called beta-PLS. With two public datasets, we demonstrate that P-PLS and even more beta-PIS regressions outperform standard PLS1 in terms of cross-validation performances in the case where the number of calibration observations is largely lower than the number of variables in X.
引用
收藏
页码:1 / 11
页数:11
相关论文
共 54 条
  • [1] Hair J.F., Sarstedt M., Hopkins L., Kuppelwieser V.G., Partial least squares structural equation modeling (pls-sem) an emerging tool in business research, Eur. Bus. Rev., 26, 2, pp. 106-121, (2014)
  • [2] Wold S., Martens H., Wold H., The multivariate calibration problem in chemistry solved by the pls method, Matrix pencils, pp. 286-293, (1983)
  • [3] Kembhavi A., Harwood D., Davis L.S., Vehicle detection using partial least squares, IEEE Trans. Pattern Anal. Mach. Intell., 33, 6, pp. 1250-1265, (2011)
  • [4] Luedeling E., Gassner A., Partial least squares regression for analyzing walnut phenology in California, Agric. For. Meteorol., 158, pp. 43-52, (2012)
  • [5] Yang Z., You W., Ji G., Using partial least squares and support vector machines for bankruptcy prediction, Expert Syst. Appl., 38, 7, pp. 8336-8342, (2011)
  • [6] Boulesteix A.-L., Strimmer K., Partial least squares: a versatile tool for the analysis of high-dimensional genomic data, Briefings Bioinf., 8, 1, pp. 32-44, (2007)
  • [7] Wold H., Systems Analysis by Partial Least Squares, (1983)
  • [8] Wold H., Et al., “Soft modeling by latent variables: the nonlinear iterative partial least squares approach,” Perspectives in probability and statistics, pp. 520-540, (1975)
  • [9] Wold H., Partial least squares, Encyclopedia of statistical sciences, 6, pp. 581-591, (1985)
  • [10] Geladi P., Kowalski B.R., Partial least-squares regression: a tutorial, Anal. Chim. Acta, 185, pp. 1-17, (1986)