Combining SO-PLS and linear discriminant analysis for multi-block classification

Abstract

The aim of the present work is to extend the Sequentially Orthogonalized-Partial Least Squares (SO-PLS) regression method, usually used for continuous output, to situations where classification is the main purpose. For this reason SO-PLS discriminant analysis will be compared with other commonly used techniques such as Partial Least Squares-Discriminant Analysis (PLS-DA) and Multiblock-Partial Least Squares Discriminant Analysis (MB-PLS-DA). In particular we will focus on how multiblock strategies can give better discrimination than by analyzing the individual blocks. We will also show that SO-PLS discriminant analysis yields some valuable interpretation tools that give additional insight into the data. We will introduce some new ways to represent the information, taking into account both interpretation and predictive aspects.