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Optimal Transport Tools (OTT): A JAX Toolbox for all things Wasserstein

About

Optimal transport tools (OTT-JAX) is a Python toolbox that can solve optimal transport problems between point clouds and histograms. The toolbox builds on various JAX features, such as automatic and custom reverse mode differentiation, vectorization, just-in-time compilation and accelerators support. The toolbox covers elementary computations, such as the resolution of the regularized OT problem, and more advanced extensions, such as barycenters, Gromov-Wasserstein, low-rank solvers, estimation of convex maps, differentiable generalizations of quantiles and ranks, and approximate OT between Gaussian mixtures. The toolbox code is available at \texttt{https://github.com/ott-jax/ott}

Marco Cuturi, Laetitia Meng-Papaxanthos, Yingtao Tian, Charlotte Bunne, Geoff Davis, Olivier Teboul• 2022

Related benchmarks

TaskDatasetResultRank
Post-docking pose refinementCrossDocked 2020 (29 held-out complexes)
RMSD (Å)16.04
4
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