Adaptive matrix distances aiming at optimum regression subspaces

Abstract. A new supervised adaptive metric approach is introduced for mapping an input vector space to a plottable low-dimensional subspace in which the pairwise distances are in maximum correlation with distances of the associated target space. The new formalism of multivariate subspace regression (MSR) is based on cost function optimization, and it allows assessing the relevance of input vector attributes. An application to molecular descriptors in a chemical compound database is presented for targeting octanol-water partitioning properties.