Get access

OnPLS—a novel multiblock method for the modelling of predictive and orthogonal variation

Authors

  • Tommy Löfstedt,

    Corresponding author
    1. Computational Life Science Cluster (CLiC), Umeå University, Umeå SE-90187, Sweden
    2. Department of Chemistry, Umeå University, Umeå SE-90187, Sweden
    • Department of Chemistry, Umeå University, Umeå SE-90187, Sweden.
    Search for more papers by this author
  • Johan Trygg

    1. Computational Life Science Cluster (CLiC), Umeå University, Umeå SE-90187, Sweden
    2. Department of Chemistry, Umeå University, Umeå SE-90187, Sweden
    Search for more papers by this author

Abstract

This paper presents a new multiblock analysis method called OnPLS, a general extension of O2PLS to the multiblock case. The proposed method is equivalent to O2PLS in cases involving only two matrices, but generalises to cases involving more than two matrices without giving preference to any particular matrix: the method is fully symmetric. OnPLS extracts a minimal number of globally predictive components that exhibit maximal covariance and correlation. Furthermore, the method can be used to study orthogonal variation, i.e. local phenomena captured in the data that are specific to individual combinations of matrices or to individual matrices. The method's utility was demonstrated by its application to three synthetic data sets. It was shown that OnPLS affords a reduced number of globally predictive components and increased intercorrelations of scores, and that it greatly facilitates interpretation of the predictive model. Copyright © 2011 John Wiley & Sons, Ltd.

Ancillary