Tree-Structured Orthonormal Decomposition of the Aitchison Simplex

June 10, 2026 ยท Grace Period ยท ๐Ÿ› ICML 2026

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Authors Daisuke Yamada, Qijun Zhang, Travis Pence, Barbara B. Bendlin, Federico Rey, Vikas Singh arXiv ID 2606.11646 Category cs.LG: Machine Learning Cross-listed q-bio.QM, stat.ML Citations 0 Venue ICML 2026
Abstract
Compositional data -- vectors encoding relative proportions -- arise across scientific domains, including ecology, geochemistry, and genomics. The features in these data often come with known hierarchical structure (e.g., taxonomies, phylogenies, ontologies), yet existing methods either ignore this structure, discard the intrinsic Aitchison geometry, are designed for binary trees, or yield incomplete coordinate systems. We describe PolyILR, a canonical orthonormal decomposition of the Aitchison tangent space aligned with any tree topology. Our construction defines a weighted local geometry at each internal node capturing full branching structure, then lifts these to a global orthonormal basis where every coordinate corresponds to a specific tree location. On microbiome and single-cell benchmarks, PolyILR yields stable, interpretable features and enables inference at multiscale tree resolution. We also establish a novel theoretical connection to softmax classifiers, suggesting possible applications to probabilistic modeling.
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