Dimension reduction of multivariate densities in Bayes spaces

Abstract: The Bayes space provides a Hilbert space structure for analysing probability density functions (PDFs), equipping them with a geometry that reflects their relative and constrained nature. A key tool in this framework is the centred logratio (clr) transformation, which establishes an isometric isomorphism between the Bayes space and (a subspace of) the classical $L^2$ space. This makes it possible to apply functional data analysis (FDA) techniques, particularly functional principal component analysis (FPCA), to both univariate and multivariate density data in the context of dimension reduction. For multivariate PDFs, embedding them in the Bayes space enables an orthogonal decomposition into independent and interactive components. Furthermore, the independent part can be decomposed into mutually orthogonal geometric marginals. This structure provides more profound insights into the sources of variation in multivariate densities. We show that this decomposition of the total variance is optimal in a PCA sense, impacting the interpretation of the eigenfunctions and scores resulting from FPCA. We demonstrate that applying FPCA directly to multivariate densities is equivalent in a certain sense to applying multivariate FPCA to their decomposed form, with the resulting eigenfunctions and scores decomposing accordingly. The unique decomposition based on these theoretical results is applied to housing and geological empirical data respectively, demonstrating the interpretability and practical value of this approach.