A Biconvex Formulation for Stable Transport of Mixture Models with a Unique Solution
Authors: Yeganeh Marghi, Kelly Jin, Uygar Sümbül
Organizations: Allen Institute Seattle, WA, USA
Abstract
Optimal transport (OT) provides a principled framework for mapping between probability distributions. Despite extensive progress, applying OT to large-scale data remains computationally demanding, and the resulting pointwise transport plans are often difficult to interpret. We introduce Optimal Mixture Transport (OMT), a scalable framework that shifts the transport paradigm from individual samples to mixtures of subpopulations, reformulating the transport problem as a strictly biconvex optimization with a unique global minimizer. We further establish theoretical guarantees on the stability of the OMT map, showing that bounded perturbations of the underlying distributions lead to bounded changes in the transport plan. By formulating subpopulations as exponential-family distributions, OMT decouples computational complexity from the sample size, scaling solely with the number of mixture components. We demonstrate the effectiveness and practicality of OMT on a wide range of synthetic benchmarks and real-world datasets, including image data and large-scale single-cell RNA sequencing measurements.
Optimal transport (OT) has become a central language for comparing probability measures, but exact balanced OT is often both too rigid for data with missing, created, or destroyed mass and subject to unfavorable high-dimensional sample complexity. Entropic regularization and unbalanced relaxations address these limitations in complementary ways. Entropy smooths the geometry, improves statistical behavior, and enables fast Sinkhorn-type algorithms, while unbalanced marginal penalties replace hard conservation constraints by divergence terms adapted to noisy empirical data. This paper studies the sample complexity of entropic unbalanced OT at the level of the optimal coupling, rather than only the scalar transport value. We develop a translation-invariant dual formulation, prove compactness and strong convexity properties for the intrinsic dual variables, and convert these geometric estimates into high-probability finite-sample bounds for empirical couplings. The results clarify why regularization is a practical necessity in machine learning applications: it softens the curse of dimensionality, reduces the number of samples needed for stable transport estimation, and keeps the resulting estimators compatible with scalable Sinkhorn-type solvers.
We propose a new regularized optimal transport (OT) formulation, termed sliced-regularized optimal transport (SROT). Unlike entropic OT (EOT), which regularizes the transport plan toward an independent coupling, SROT regularizes it toward a smoothened sliced OT (SOT) plan. To the best of our knowledge, SROT is the first approach to leverage a version of SOT plan as a reference to improve classical OT. We provide a formal definition of SROT, derive its dual formulation, and provide a post-Bayesian interpretation of SROT. We then develop a Sinkhorn-style algorithm for efficient computation, retaining the same scalability advantages as EOT. By incorporating a scalable SOT plan as a prior, SROT yields more accurate approximations of the exact OT plan than EOT under the same level of regularization. Moreover, the resulting transport plan improves upon the reference SOT plan itself. We further introduce the corresponding OT divergence induced by SROT, named SROT divergence, and analyze its topological and computational properties. Finally, we validate our approach through experiments on synthetic datasets and color transfer tasks, demonstrating that SROT is better than both EOT and SOT in approximating exact OT. Additional experiments on gradient flows further highlight the advantages of SROT divergence.
Optimal transport (OT) is a central framework for modeling distribution shifts. Because OT compares distributions directly in input space, a well-designed ground metric between observations is essential to ensure that the optimizer does not violate the true geometry of change. We propose Displacement-Reshaped Optimal Transport (ReshapeOT), a method that reshapes the ground metric by integrating observed sample displacements as an additional source of knowledge. Technically, ReshapeOT replaces the Euclidean metric with a Mahalanobis distance estimated from displacement second moments. This effectively carves expressways through the input space, inviting transport solutions that better align with observed displacements. Our method is computationally lightweight, integrates seamlessly into any OT solver that operates on a cost matrix, and can be kernelized for further flexibility. Experiments on synthetic and real-world data show that ReshapeOT achieves substantial gains in transport reliability. We further demonstrate our method's usefulness in two practical use cases.
Philip Naumann, Jacob Kauffmann, Klaus-Robert Müller +1