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Monge, Bregman and Occam: Interpretable Optimal Transport in High-Dimensions with Feature-Sparse Maps

Abstract

Optimal transport (OT) theory focuses, among all maps T:RdRdT:\mathbb{R}^d\rightarrow \mathbb{R}^d that can morph a probability measure onto another, on those that are the ``thriftiest'', i.e. such that the averaged cost c(x,T(x))c(x, T(x)) between xx and its image T(x)T(x) be as small as possible. Many computational approaches have been proposed to estimate such Monge maps when cc is the 22\ell_2^2 distance, e.g., using entropic maps [Pooladian'22], or neural networks [Makkuva'20, Korotin'20]. We propose a new model for transport maps, built on a family of translation invariant costs c(x,y):=h(xy)c(x, y):=h(x-y), where h:=1222+τh:=\tfrac{1}{2}\|\cdot\|_2^2+\tau and τ\tau is a regularizer. We propose a generalization of the entropic map suitable for hh, and highlight a surprising link tying it with the Bregman centroids of the divergence DhD_h generated by hh, and the proximal operator of τ\tau. We show that choosing a sparsity-inducing norm for τ\tau results in maps that apply Occam's razor to transport, in the sense that the displacement vectors Δ(x):=T(x)x\Delta(x):= T(x)-x they induce are sparse, with a sparsity pattern that varies depending on xx. We showcase the ability of our method to estimate meaningful OT maps for high-dimensional single-cell transcription data, in the 3400034000-dd space of gene counts for cells, without using dimensionality reduction, thus retaining the ability to interpret all displacements at the gene level.

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