Multiway multiblock component and covariates regression models

Citation
Ak. Smilde et al., Multiway multiblock component and covariates regression models, J CHEMOMETR, 14(3), 2000, pp. 301-331
Citations number
49
Categorie Soggetti
Spectroscopy /Instrumentation/Analytical Sciences
Journal title
JOURNAL OF CHEMOMETRICS
ISSN journal
08869383 → ACNP
Volume
14
Issue
3
Year of publication
2000
Pages
301 - 331
Database
ISI
SICI code
0886-9383(200005/06)14:3<301:MMCACR>2.0.ZU;2-P
Abstract
In this paper the general theory of multiway multiblock component and covar iates regression models is explained. Unlike in existing methods such as mu ltiblock PLS and multiblock PCA, in the new proposed method a different num ber of components can be selected for each block. Furthermore, the method c an be generalized to incorporate multiway blocks to which any multiway mode l can be applied. The method is a direct extension of principal covariates regression and therefore works in a simultaneous fashion in which a clearly defined objective criterion is minimized. It can be tuned to fulfil the re quirements of the user. Algorithms to calculate the components will be pres ented. The method will be illustrated with two three-block examples and com pared to existing approaches. The first example is with two-way data and th e second example is with a three-way array. It will be shown that predictio ns are as good as with the existing methods, but because for most blocks fe wer components are required, diagnostic properties of the method are improv ed. Copyright (C) 2000 John Wiley & Sons, Ltd.