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

8 February 2023
Marco Cuturi
Michal Klein
Pierre Ablin
    OT
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Abstract

Optimal transport (OT) theory focuses, among all maps T:Rd→RdT:\mathbb{R}^d\rightarrow \mathbb{R}^dT:Rd→Rd 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))c(x,T(x)) between xxx and its image T(x)T(x)T(x) be as small as possible. Many computational approaches have been proposed to estimate such Monge maps when ccc is the ℓ22\ell_2^2ℓ22​ 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(x−y)c(x, y):=h(x-y)c(x,y):=h(x−y), where h:=12∥⋅∥22+τh:=\tfrac{1}{2}\|\cdot\|_2^2+\tauh:=21​∥⋅∥22​+τ and τ\tauτ is a regularizer. We propose a generalization of the entropic map suitable for hhh, and highlight a surprising link tying it with the Bregman centroids of the divergence DhD_hDh​ generated by hhh, and the proximal operator of τ\tauτ. We show that choosing a sparsity-inducing norm for τ\tauτ 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)-xΔ(x):=T(x)−x they induce are sparse, with a sparsity pattern that varies depending on xxx. We showcase the ability of our method to estimate meaningful OT maps for high-dimensional single-cell transcription data, in the 340003400034000-ddd 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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