barycenter problem
Fréchet Regression on the Bures-Wasserstein Manifold
Nguyen, Duc Toan, Uribe, César A.
Fréchet regression, or conditional Barycenters, is a flexible framework for modeling relationships between covariates (usually Euclidean) and response variables on general metric spaces, e.g., probability distributions or positive definite matrices. However, in contrast to classical barycenter problems, computing conditional counterparts in many non-Euclidean spaces remains an open challenge, as they yield non-convex optimization problems with an affine structure. In this work, we study the existence and computation of conditional barycenters, specifically in the space of positive-definite matrices with the Bures-Wasserstein metric. We provide a sufficient condition for the existence of a minimizer of the conditional barycenter problem that characterizes the regression range of extrapolation. Moreover, we further characterize the optimization landscape, proving that under this condition, the objective is free of local maxima. Additionally, we develop a projection-free and provably correct algorithm for the approximate computation of first-order stationary points. Finally, we provide a stochastic reformulation that enables the use of off-the-shelf stochastic Riemannian optimization methods for large-scale setups. Numerical experiments validate the performance of the proposed methods on regression problems of real-world biological networks and on large-scale synthetic Diffusion Tensor Imaging problems.
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Sinkhorn Barycenters with Free Support via Frank-Wolfe Algorithm
Giulia Luise, Saverio Salzo, Massimiliano Pontil, Carlo Ciliberto
We present a novel algorithm to estimate the barycenter of arbitrary probability distributions with respect to the Sinkhorn divergence. Based on a Frank-Wolfe optimization strategy, our approach proceeds by populating the support of the barycenter incrementally, without requiring any pre-allocation.
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Invariant Feature Extraction Through Conditional Independence and the Optimal Transport Barycenter Problem: the Gaussian case
Bounos, Ian, Groisman, Pablo, Sued, Mariela, Tabak, Esteban
A methodology is developed to extract $d$ invariant features $W=f(X)$ that predict a response variable $Y$ without being confounded by variables $Z$ that may influence both $X$ and $Y$. The methodology's main ingredient is the penalization of any statistical dependence between $W$ and $Z$ conditioned on $Y$, replaced by the more readily implementable plain independence between $W$ and the random variable $Z_Y = T(Z,Y)$ that solves the [Monge] Optimal Transport Barycenter Problem for $Z\mid Y$. In the Gaussian case considered in this article, the two statements are equivalent. When the true confounders $Z$ are unknown, other measurable contextual variables $S$ can be used as surrogates, a replacement that involves no relaxation in the Gaussian case if the covariance matrix $Σ_{ZS}$ has full range. The resulting linear feature extractor adopts a closed form in terms of the first $d$ eigenvectors of a known matrix. The procedure extends with little change to more general, non-Gaussian / non-linear cases.
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