The performance of Flow Matching largely depends on the quality of the coupling between the source and target distributions. However, independent coupling often leads to path crossings and local velocity ambiguity, while OT-based couplings typically incur high construction costs. To address this challenge, we propose Quantile AlignTree Flow Matching (QAT-FM), an efficient structured coupling strategy that constructs a hierarchical coupling between a Gaussian prior and the target data distribution via a quantile-aligned tree structure. QAT-FM constructs the coupling in $\mathcal{O}(Nd\log N)$ time and supports per-pair source sampling with $\mathcal{O}(d)$ complexity, enabling scalable training for large-scale high-dimensional generative tasks. Theoretically, we prove that the QAT coupling satisfies marginal consistency, induces non-crossing linear interpolation paths, and consistently improves path separation at intermediate times compared with independent coupling, thereby alleviating local velocity ambiguity. QAT-FM further extends naturally to conditional generation, enabling structured conditional coupling while preserving global Gaussian alignment. Experiments across diverse benchmark datasets demonstrate that QAT-FM achieves competitive generative performance while substantially reducing coupling construction cost.
Gabriel Rioux, Joanna Marks, Riccardo Passeggeri +1math.ST cs.IT math.OC stat.ML
The Gromov-Wasserstein (GW) distance provides a principled framework for aligning metric measure (mm) spaces based solely on their intrinsic structure. Its ability to identify isomorphic representations of distributions across spaces renders it valuable for comparing data where equality up to isomorphism occurs naturally such as in graphs or, more generally, distributions on graphs. Recently, a type of dual form for the GW distance between Euclidean distributions with the squared Euclidean or inner product costs was derived, spurring the development of new statistical and algorithmic results for this setting. This work furnishes a novel duality result for GW distances with and without entropic regularization that is applicable to all finitely supported mm spaces. Leveraging this result, we derive the sample complexity of empirical GW distances between finite mm spaces, as well as limit distributions under proper centering and scaling. Furthermore, we propose new algorithms for solving the regularized GW problem which are subject to formal convergence guarantees. These statistical and algorithmic advancements give rise to a principled and efficient framework for testing whether two distributions on the set of graphs with a fixed number of nodes are isomorphic based on samples.
We study the empirical Sinkhorn estimator of the entropic optimal transport potentials under the uniform loss. Since the potentials are only unique up to additive constants, we measure the error using the quotient supremum norm, defined as $d_\infty([u],[v]) = \inf_{a\in\mathbb{R}}\|u-v-a\|_\infty$. For a fixed regularization parameter $\varepsilon>0$, we establish a non-asymptotic statistical rate of $n^{-1/2}$. This is achieved by combining the Birkhoff-Hopf contraction theorem with entropy bounds on normalized kernel sections. However, the constant in this bound grows exponentially with $1/ε$. To improve this, we isolate geometric conditions under which the empirical estimator maintains the $n^{-1/2}$ rate but features polynomial dependence on $1/\varepsilon$. The key requirement is a polynomial residual-stability estimate for the population Sinkhorn map. We provide sufficient criteria for this, including a polynomial contraction property and a local inverse estimate. Furthermore, we introduce two rigorously verifiable model classes an $\varepsilon$-weak residual-interaction class obtained after separable centering and another based on connected tight-edge graphs for fixed discrete costs where the polynomial rate is guaranteed without relying on abstract resolvent assumptions. Finally, we establish matching minimax lower bounds demonstrating that the $\varepsilon n^{-1/2}$ rate cannot be uniformly improved in the bounded-interaction regime.
Ian Hsieh, Soumya Snigdha Kundu, Tom Vercauteren +1cs.LG
Entropic optimal transport (EOT) has been shown to offer a computationally tractable approximation to exact optimal transport. However, the standard Sinkhorn-Knopp algorithm has two main limitations. First, given discrete measures with $N$ points, each iteration requires $O(N^2)$ operations, which restricts its use on large-scale datasets (e.g. $N\geq10^4$). Second, it uses the independent coupling as a reference measure for regularisation. This assigns mass to high-cost transport edges at moderate regularisation strengths. We propose SinkSLOT, which addresses both limitations by putting forth the expected sliced lifted transport plan as a natural way to sparsify the Gibbs kernel with a non-independent prior coupling. We prove that: 1) SinkSLOT converges; 2) with $L$ slices, each resulting sparse Sinkhorn iteration costs $O(LN)$; and 3) the resulting objective is a divergence requiring no debiasing. Experiments on synthetic benchmarks show that SinkSLOT delivers substantial speedups over state-of-the-art dense and sparse EOT methods. We also demonstrate the applicability of the proposed divergence in a gradient flow experiment. The code is publicly available at https://github.com/cai4cai/SinkSLOT.
Clément Soubrier, Geoffrey Woollard, Andrew Warren +1math.OC cs.LG
Efficiently and robustly analyzing shape data is critical across many scientific disciplines. While chirality is a fundamental property in numerous applications - most notably in molecular science - existing shape analysis metrics fail to distinguish between a shape and its mirror image. To address this gap, we introduce a multilinear generalization of the Gromov-Wasserstein objective. Under mild assumptions, this objective yields a distance between shapes, represented as probability distributions quotiented by a symmetry group $G$. In particular, for $G = SO(d)$, we introduce the Chiral Gromov-Wasserstein ($\mathrm{CGW}$) distance, sensitive to chirality. We establish robustness properties for the multilinear Gromov-Wasserstein distances and develop efficient algorithms to compute them, reformulating the underlying optimization problem by projecting couplings onto a low-dimensional space. We derive algorithms for both local and approximate global solutions, yielding a fully polynomial-time approximation scheme for these problems. We validate the framework through numerical experiments that demonstrate the effectiveness of $\mathrm{CGW}$ as a shape metric for chiral objects.
Gromov-Wasserstein (GW) compares distributions through relations within each space. This pointwise comparison can be too sensitive in one-to-many settings, where several target outcomes refine one source state and their mean carries the geometry of interest. We introduce a weak GW framework that compares source relations with relations between the target conditional laws induced by a coupling. For inner-product relations, we retain the conditional means $m_π(x)=\mathbb{E}_π[Y\mid X=x]$. The resulting barycentric weak inner-product GW (wIGW) satisfies $\mathrm{wIGW}_{\mathrm{bar}}^2(μ,ν)=\inf_{η\preceq_{\mathrm{cx}}ν}\mathrm{IGW}^2(μ,η)$. Here $η\preceq_{\mathrm{cx}}ν$ means that $ν$ is a mean-preserving spread of $η$. Thus wIGW searches for an intermediate target geometry that can be refined into the prescribed target law without changing conditional means. Under finite second moments, minimizers exist and martingale gluing recovers an optimal coupling. With ridge regularization, moment duality gives an $A$-$B$ min-max problem whose inner step is weak optimal transport with a quadratic cost parameterized by $A$ and $B$; the outer problem optimizes these matrices. For finitely supported measures, we give an iterative algorithm. Under a quantitative ridge condition, the reduced problem is convex--concave, and the projected outer iteration satisfies an explicit contraction bound for inexact inner solves. Point cloud and graph feature refinement experiments illustrate how mean-preserving target refinements can have zero cost. A paired peripheral blood mononuclear cell (PBMC) multiome study evaluates atlas based cell type transfer through RNA/ATAC alignment in cell to cell and prototype to cell settings, with the prototype to cell setting representing the one-to-many case.
Partial optimal transport compares two measures while leaving part of the mass unmatched, which is what makes it robust to outliers, occlusion, and clutter. The quantity of interest is usually the whole profile - the optimal cost at every transported cardinality - because the right amount to transport is rarely known in advance, and on the real line the PAWL algorithm returns that profile in $O(N\log N)$. Much data is periodic rather than linear: angles, phases, orientations, time of day, hue, and every direction obtained by projecting onto a great circle. On the circle the same problem acquires a global circulation, or equivalently an optimized cut, which the naive exact method handles by running the line algorithm once per support gap, at $O(N^{2}\log N)$. We show that this factor $N$ is unnecessary. The line structure survives in cut-free form, and a free-gap invariant supplies, at every step, a cut at which all previous local updates remain valid line updates. This yields PAWC: an exact $O(N\log N)$ time, $O(N)$ memory algorithm returning all $K+1$ costs, nested active sets and plans in one run, together with a single gap that is simultaneously optimal for every cardinality. Slicing over great circles extends it to $\mathbb{S}^{d-1}$. Empirically the whole profile costs $0.56$ms at $N=4096$ against $1.5$s for a single transported fraction from a general solver; on occluded, cluttered mpeg-7 shapes, holding the descriptor fixed and varying only the cost, it retains $66\%$ of the clean-data retrieval score against $16\%$ for balanced circular OT, and on $\mathbb{S}^{2}$ it halves the fitting error of spherical sliced Wasserstein against contaminated targets, synthetic and real. Code is available at https://github.com/mint-vu/Partial_Wasserstein_on_Circles.
Estimating heterogeneous single and interaction treatment effects from observational data under multiple simultaneous treatments is crucial for decision-making. To mitigate estimation variance, previous studies balance representation distributions between every pair of treatment patterns. However, such pairwise balancing scales quadratically with the number of treatment patterns and fails to preserve consistent local proximity structures across patterns, which degrades counterfactual estimation. To address these challenges, we propose the Causal Inference for Heterogeneous Single and Interaction Treatment Effects Network (CIHSI-Net), a deep learning framework built on a novel Barycentric Fused Gromov-Wasserstein Balancing (BFG-WB) objective. BFG-WB aligns the representation distribution of each treatment pattern with a shared Wasserstein barycenter, achieving global alignment while reducing the computational complexity from quadratic to linear, and its Fused Gromov-Wasserstein discrepancy preserves the local proximity structures essential for reliable heterogeneous effect estimation. Simulation studies show that CIHSI-Net consistently outperforms state-of-the-art baselines, and an application to real-world marketing data demonstrates its practical utility in complex multi-treatment scenarios.
Existing optimal transport (OT) models primarily seek an OT map or plan between distributions by minimizing a prescribed transport cost or distortion. However, minimizing transport cost or distortion alone may fail to identify a geometrically meaningful transformation between the two distributions. To address this limitation, this paper proposes a novel coupled OT framework that leverages a small number of annotated landmarks to guide the recovery of an underlying deformation governing the distribution transformation. The coupled OT framework integrates the optimization of the transport plan and the deformation field into a unified model, where the landmark-guided deformation field and the cost-driven transport plan are coupled through a mutual-consistency constraint. As a result, the deformation is jointly determined by the annotated landmarks and cost-driven distribution matching. The proposed framework provides a principled connection between landmark-based registration and transport-based distribution matching, enabling the recovery of transport maps from sparse geometric supervision. We establish the well-definedness of the proposed model in a general variational setting and develop a finite-element-based numerical algorithm for computation whose convergence properties are systematically analyzed. The practical effectiveness of the proposed approach is verified in shape matching.
Keyi Li, Yuval Kluger, Boris Landastat.ML cs.LG stat.AP stat.ME
Dataset alignment is a central step in data analysis across science and engineering, where the goal is to match observations between datasets. Entropic Optimal Transport (EOT) offers a computationally tractable framework for this task by encoding cross-dataset affinities in a transport plan. However, when two datasets are sampled from geometrically similar low-dimensional structures with substantially different sampling densities, the EOT plan may match points by relative sampling density rather than geometric proximity, yielding geometrically misleading correspondences. To address this issue, we propose a density-reweighted EOT framework in which the influence of sampling density on the transport plan can be discounted to a desired degree, ranging from standard EOT to alignment driven purely by underlying geometry. Under suitable regularity conditions, we establish convergence of the reweighted EOT plan to a family of population-level plans whose dependence on sampling density is made explicit. Through simulations, we show that our approach recovers geometrically faithful correspondences, improving over related EOT-based frameworks when datasets exhibit substantial sampling density disparity.
Coresets distill large datasets into small, representative subsets for efficient downstream learning. Yet Optimal Transport (OT)-based selection typically requires intensive computation of transport plans, limiting scalability. We introduce a scalable Sinkhorn coreset method that permits closed-form updates of the entropically regularized OT coupling by allowing non-uniform coreset weights. This produces centroids that generalize k-means via soft assignments. We establish asymptotic consistency of the selected measure and Lipschitz stability to data perturbations, providing accuracy and robustness guarantees. Across synthetic and real-world benchmarks, the proposed method achieves competitive or improved approximation quality while substantially reducing runtime compared to Wasserstein- and standard Sinkhorn-based coreset selection, especially at large scale.
Given a dataset where a portion of the samples are contaminated, our goal is to recover the underlying clean population distribution. To this end, we propose Wasserstein Filtering (WF), a novel sample selection framework that discards a fraction of suspicious samples and estimates the target distribution using the empirical measure of the remaining data. The core insight is to select a subset of samples whose empirical distribution maximizes its Wasserstein distance to the fully contaminated empirical distribution, thereby preferentially isolating and removing geometrically influential outliers. To render this optimization computationally tractable, we introduce three algorithms: a marginal screening scheme, SinkMarg, and two joint optimization algorithms, SinkWF and SlicedWF, leveraging entropic optimal transport and sliced Wasserstein approximations, respectively. On the theoretical front, we introduce the Far Exclusion and Local Projection (FELP) contamination model, which characterizes corruptions consisting of well-separated outliers and locally indistinguishable perturbations. Under this model, we prove that the WF estimator achieves minimax optimality over distribution families with bounded covariance. Extensive numerical experiments on synthetic datasets, benchmark anomaly detection suites, and robust generative learning with diffusion models demonstrate that WF serves as a highly practical, model-agnostic preprocessing tool. It delivers competitive outlier detection performance and provides substantial downstream benefits for generative modeling under heavy contamination.
Han Dong, Jiaming Li, Yongqiang Gong +2stat.ML cs.LG math.OC math.ST
We develop the statistical and algorithmic theory of inverse optimal transport (IOT) under the feature-parameterized cost C_theta(i,j) = -theta^T phi(i,j). The core technical contribution is the Sinkhorn linearization -- the implicit-function sensitivity of the entropic OT plan to the cost -- together with its spectral proxy, a formula that is spectrally exact yet geometrically transparent. The restricted Hessian on the tangent space satisfies the spectral sandwich (pi_min/epsilon) I <= H_T^{-1} <= (pi_max/epsilon) I, yielding the single core bound sigma_min >= (pi_min/(a_max epsilon)) sqrt(lambda_min(Sigma)) that drives the entire theory. On this core we establish four theorems and one observation. T1 (identifiability): theta is globally injective on the quotient of the gauge kernel, with dimension bound F <= (K-1)^2. T2 (sparsistency): the l1-penalized estimator recovers the true support under irrepresentability and score concentration, with exponential failure probability. T3 (well-posedness): the feature-moment map M(theta) = Phi^T x_theta is strongly monotone, and the inverse is Lipschitz with constant L <= epsilon ||Phi^T S_a||_op / (pi_min lambda_min(Sigma)). T4 (convergence): local strong convexity with mu >= pi_min^2 lambda_min(Sigma) / epsilon^2 guarantees monotone gradient descent convergence. O5 (misspecification): the estimator converges to the OT-model projection of the truth; the Holder continuity of the projection map is assessed numerically, yielding setting-dependent empirical exponents alpha_eff in (0,1).
Carlos Cardoso-Perelló, Alberto González-Sanzstat.ME math.PR stat.ML
We propose a robust barycenter for distribution-valued data by incorporating the Huber loss directly into the optimal transport cost. In contrast to metric-space Huber means, which apply the Huber loss to the Wasserstein distance after optimization, our construction acts on individual transport displacements, preserving quadratic behavior locally while limiting the influence of large displacements. The resulting Huber-Wasserstein barycenters form a natural interpolation between Wasserstein means and $L^1$-type Wasserstein medians. We establish the analytical and statistical foundations of this construction. For optimal transport with Huber loss, we prove regularity and uniqueness properties of dual potentials, existence of optimal transport maps, and stability as the Huber parameter varies. For the associated barycenter problem, we prove existence and characterization results, consistency of empirical plug-in estimators, and a finite-sample breakdown point essentially equal to $1/2$. In dimension one, we further derive the pointwise influence function and asymptotic distribution, quantify the associated robustness-efficiency trade-off, and show that displacement-wise Huberization can retain first-order information that is lost by distance-based Huberization under localized shape contamination. Numerical experiments on contaminated distribution-valued data demonstrate the robustness of the proposed barycenters and illustrate their interpolation between mean- and median-like behavior.
Hafiz Saud Arshad, Muhammad Rajabinasab, Arthur Zimekcs.LG
Feature selection is one of the most important and fundamental tasks in data mining, tackled by a family of methods with an established set of evaluation techniques to measure the quality of a specific method. Most of the methods commonly used for the unsupervised evaluation of feature selection algorithms suffer from critical design flaws which question their unsupervised nature. In this paper, we provide a critical discussion on the established allegedly unsupervised evaluation techniques, and shed light on the reasons why they are not truly unsupervised but, at best, supervised evaluation under an unsupervised downstream task. We also propose a novel, truly unsupervised evaluation framework to measure the quality of the feature selection algorithms without any form of information about the labels. The proposed framework utilizes unsupervised Principal Component Analysis, and optimal transport to measure the quality of the feature selection methods in a truly unsupervised manner.
Florian Beier, Stephan Ecksteinmath.OC cs.CG cs.LG math.PR
Clustering is a fundamental class of data analysis techniques with the most important representatives being centroid-based methods like $k$-means. Such methods are strongly connected to quantization problems, which aim to approximate general probability measures with discrete ones. For example, $k$-means corresponds to quantization with respect to the Wasserstein distance. While Wasserstein quantization clusters points within a fixed space, this paper studies Gromov-Wasserstein (GW) quantization, which additionally aims at clustering the ambient geometry of the space. We show existence of solutions to the GW quantization problem and give a characterization that justifies an analogue to the $k$-means algorithm (Lloyd's algorithm) to approximate them numerically. We further calculate the quantization rate for usual Euclidean geometries that are used in the GW context, and relate it to standard Wasserstein quantization rates. Finally, numerical experiments show that GW quantization opens up many modeling possibilities beyond normal clustering methods (e.g., for geodesic distances of 3D shapes or structured pruning of neural networks) and that the introduced algorithm leads to useful numerical solutions with approximation quality often in line with theoretically optimal rates.
Optimal transport and Gromov--Wasserstein distances are useful tools for comparing probability measures and metric measure spaces, but their balanced formulations force all mass to be matched. This constraint is often too strong for data with outliers, missing parts, or only partial overlap. In this paper, we develop entropic partial optimal transport for Gaussian mixture models and define a partial mixture Gromov--Wasserstein distance. For the finite entropic partial optimal transport problem, we prove the existence and uniqueness of the minimizer and establish quantitative large-penalty estimates. Moreover, the resulting entropic partial component couplings induce continuous partial transport plans through Gaussian optimal maps. We analyze their large-penalty and subsequent zero-entropy limits and construct the associated displacement interpolations and barycentric projection maps. In addition, by identifying each Gaussian mixture with a finite metric measure space of Gaussian components, we establish the metric property and large-penalty limit of the partial mixture Gromov--Wasserstein distance. Finally, numerical experiments on synthetic Gaussian mixtures and point clouds illustrate the effects of the penalty and entropic regularization and the robustness of partial matching to outliers.
The Mahalanobis distance is a fundamental covariance-adapted metric for multivariate data and plays a central role in recovering latent geometry from nonlinear observations. We extend this principle from vector-valued data to probability measures by introducing a Wasserstein Mahalanobis distance. Our construction replaces Euclidean displacement vectors with optimal transport displacement fields and local covariance matrices with covariance operators defined on Wasserstein tangent spaces. We show that this construction inherits the geometry-recovery property underlying nonlinear independent component analysis. In particular, for Gaussian measures with common covariance transformed by a smooth nonlinear pushforward, the proposed Wasserstein Mahalanobis distance approximates the classical Mahalanobis distance between the transformed latent means. The correspondence is exact for affine transformations and holds up to controlled higher-order error terms for general smooth transformations. These results establish a distribution-valued analog of classical Mahalanobis geometry and provide theoretical support for covariance-adapted learning directly in Wasserstein space. Numerical experiments confirm the theoretical predictions and demonstrate accurate recovery of latent geometric structure.
Lishuo Zhang, Ruizhi Huang, Yang Yu +1cs.LG math.NA
We introduce Potential Matching Optimal Transport (PMOT), a potential-flow framework for general $p$-cost optimal transport with $c_p(x,y)=\|x-y\|^p$. PMOT parameterizes the CNF velocity field with a scalar potential in the generalized Benamou--Brenier form for the chosen exponent $p$. It trains the potential gradient with a self-induced matching loss along straight bridges determined by the model's own endpoints, while allowing flexible terminal distribution matching. Our main result establishes zero-loss exactness: under the stated regularity, exact terminal matching, and uniqueness assumptions, any zero-loss solution satisfies the generalized Benamou--Brenier optimality system and recovers the corresponding $p$-optimal transport map and dynamics. On synthetic benchmarks, PMOT learns $p$-specific maps that agree with the corresponding $p$-matched OT references. It also remains competitive as a likelihood-based density model on high-dimensional tabular data, and an MMD-based color transformation experiment demonstrates flexible sample-based terminal matching.
Bartolo Dazzini, Giovanni Conforti, Alain Durmus +1cs.LG math.OC stat.ML
Trajectory inference is a fundamental problem in many scientific domains: given a collection of unpaired snapshots of observations at discrete time points, the goal is to generate smooth trajectories that best resemble and interpolate the data. Existing algorithms exhibit computational challenges: they either rely on preprocessing subroutines to enforce smoothness or on simulation-based training objectives, both of which can be expensive. In order to overcome these limitations, we propose a new algorithm called Acceleration Matching (\texttt{AM}). Our approach consists of lifting the original interpolation problem to phase space and then regressing onto an explicit conditional acceleration field that induces random, smooth trajectories that agree with the prescribed marginals. Importantly, our resulting training algorithm only requires positional data, avoids trajectory simulation during training, and is devoid of expensive preprocessing. We provide ample numerical evidence suggesting that \texttt{AM} is competitive with or superior to existing algorithms on several benchmark problems from the existing literature.
Cold-Start Active Learning (CSAL) aims to select a valuable subset from an unlabeled pool without any prior knowledge or human assistance. Existing methods take diverse routes based on typicality, coverage, or diversity. Each rests on its own inductive bias and therefore performs well on some tasks yet poorly on others. We argue that the real challenge is not to design yet another selection heuristic, but to make CSAL adapt automatically to the data and task at hand. To this end, we revisit CSAL through the lens of optimal transport. First, we propose a generalized transport selection framework that reveals the shared allocation structure of existing methods and exactly subsumes representative formulations. Second, we introduce a theoretical analysis that characterizes the trade-off controlled by entropic regularization and establishes a task-agnostic minimax bound for cold-start selection. These results provide a principled foundation for adapting the regularization strength to the unlabeled data. Third, we derive a data-adaptive regularization rule and present a novel Sinkhorn-based CSAL algorithm, termed $ε$-Adaptive Selection ($ε$-AS). Extensive experiments on six public datasets and multiple annotation budgets show that $ε$-AS consistently achieves state-of-the-art performance. On ImageNet-1k, it improves the average accuracy over ActiveFT by 1.29% while reducing selection time by 56.2%. Code will be released at https://github.com/Z-yiwei/OT-CSAL
Recently, rectified flow has emerged as a fundamental framework for large-scale image generation, powering state-of-the-art systems such as FLUX.1 and Stable Diffusion 3. Despite its remarkable empirical success, the computational and statistical guarantees of iterative rectified flow have remained largely unexplored. We address this problem by studying \textit{c}-rectified flow, a cost-aware class of rectified flow that projects velocity fields onto a gradient class while preserving endpoint marginals. The ordinary rectified flow can fail to recover the optimal transport coupling: in a Gaussian case study, the iteration converges to the optimal coupling if and only if the source and target covariance matrices commute. In contrast, under suitable compactness and uniform-integrability assumptions, iterative \textit{c}-rectified flow always converges to the optimal transport coupling. We further establish quantitative one-step contraction and exponential convergence guarantees under projection-stability assumptions for both quadratic and strongly convex displacement costs. Finally, under a Hölder ball assumption, we develop new minimax-optimal score estimation rates and show that, when combined with iterative \textit{c}-rectified flow, they yield a rate-optimal estimator of the optimal transport for the dimension \(d \ge 3\) and a nearly parametric rate for \(d=1,2\).
Lee Cheuk-Kit, Florentin Coeurdoux, Peter Potaptchik +3cs.LG
We propose an instantiation of flow matching that relies on a time-independent velocity field (an \emph{autonomous flow}) to exactly map between two distributions, so long as the target is singular, i.e.\ supported on a lower-dimensional data manifold. We also show that the one-step generative map associated with this flow is the unique solution of a simple conservation equation, which can be used to learn the map directly from samples. These autonomous flows and maps give a dynamical meaning to the flux constraint of Beckmann's transportation problem. Their construction provides a unifying framework that recovers, for instance, the closed-form Poisson-flow generative model and equilibrium matching with a quadratic flow-matching regression loss. We illustrate how this theory corrects inconsistencies in existing methods and demonstrate the effectiveness of the autonomous flow and the one-step map on ImageNet 256x256.
Benjamin Capdeville, Young-Heon Kim, Soumik Palmath.PR stat.ML
Given a strongly convex function $u$, equip $R^d$ with a Riemannian metric given by the Hessian $\nabla^2 u$. This is a so-called Hessian manifold. Given a probability density $μ$ one may run a Langevin diffusion intrinsic to the manifold with stationary distribution $μ$. Such (Hessian) manifold-valued Langevin diffusions are called Mirror Langevin diffusions (MLD) which have recently become popular. One of the questions we explore is whether, given $μ$, one can choose $u$ to get an exponential convergence to equilibrium for the MLD, especially if $μ$ is not strongly log-concave. Our results are based on Lyapunov function methods and give sufficient conditions for a Poincaré or a log-Sobolev inequality to hold for the MLD. These, in turn, imply exponential convergence. We also introduce a Markov chain approximation to the MLD given by a two step Gibbs sampler with stationary distribution $μ$. This Markov chain is a variant of the Sinkhorn Markov chain introduced in arXiv:2307.16421 that is conjectured to converge to a time-inhomogeneous generalization of the MLD. Under suitable assumptions, we prove that the Markov chain has a guaranteed convergence rate in $χ^2$ that is consistent with the diffusion time scale. Our proofs are based on ideas from entropic optimal transport and strong data processing inequalities.
Khai Nguyen, Yang Ni, Elizabeth Juarez-Colunga +1stat.ME cs.LG stat.AP stat.CO stat.ML
We introduce the distributional determinantal point process (dDPP) as a novel repulsive point process whose atoms are probability distributions rather than points in a real space. The dDPP is constructed via an L-ensemble with a sliced Wasserstein (SW) kernel between distributions. We show its validity as a well-defined point process. In the discrete setting, we derive concentration results for plug-in estimators of the L-ensemble, the correlation kernel, and their determinants given i.i.d. samples from the distributional atoms. Leveraging this framework, we propose a distribution-valued random partition model by way of a repulsive generalized Bayesian mixture model. The model places a dDPP prior over the atoms of the mixing measure and defines a generalized likelihood based on SW distance. To summarize posterior inference, we develop a decision-theoretic approach to report a point estimate of the mixing measure as a Bayes rule under a hierarchical optimal transport utility function. The latter is a natural choice given that the mixing measure is itself a distribution over distributions. We use the proposed framework for inference with single-cell gene expression data and human epilepsy data, producing interpretable and well-separated clusters that reflect meaningful structure in the data.
Maxence Noble, Marie Scheid, Yazid Janati +2stat.ML cs.LG
Over the past few years, diffusion-based Schrödinger bridge models have been proposed to approximate optimal transport dynamics between two prescribed boundary distributions, with successful applications to generative modeling. More precisely, these methods aim to estimate a path measure whose initial and terminal marginals match the two boundary distributions, while minimizing the Kullback-Leibler divergence with respect to a reference Markov process. In this work, we consider the generalized Schrödinger bridge problem, in which the reference process is a twisted Brownian motion, that is, a Feynman-Kac transform of a Brownian motion induced by a time-dependent differentiable potential. Building on the Iterative Markovian Fitting (IMF) paradigm, and in particular on its special case Diffusion Schrödinger Bridge Matching (DSBM), which corresponds to the zero potential case, we introduce Twisted Schrödinger Bridge Matching (TSBM), a diffusion-based method designed to handle both continuous- and discrete-time potentials. Unlike previous approaches, TSBM provides a rigorous extension of the IMF scheme to the generalized Schrödinger bridge problem. This derivation leads to a new bridge-matching loss that depends explicitly on the gradient of the potential and recovers the DSBM objective when the potential vanishes, yielding improved performance. We further introduce trajectory-based variance-reduction techniques that substantially stabilize optimization and may be useful beyond the present setting. Finally, we empirically demonstrate the benefits of TSBM for trajectory inference across increasingly high-dimensional settings, including crowd navigation and single-cell data. Code available at https://github.com/maxencenoble/twisted-sb-matching.
Ashutosh Jha, Michel Besserve, Simon Buchholzcs.LG stat.ML
Linear Independent Component Analysis (ICA) recovers jointly independent source signals from their linear mixtures. To achieve this, classical ICA algorithms attempt to maximize non-Gaussianity, measured by negentropy, which is linked to independence by information theory. Because exact negentropy optimization is intractable, they rely on proxy contrast functions, such as fourth-order cumulants, and parametric log-likelihoods. We propose instead to measure non-Gaussianity using the squared Wasserstein distance $W_2^2$ to a standard Gaussian. We prove that the Wasserstein distance between a standard normal distribution and linear projections of the data is maximized when the projection recovers an independent component. Based on this observation, we propose the OT-ICA algorithm which finds this projection by gradient-based optimization. Empirical evaluation on simulated data shows that OT-ICA outperforms proxy-based methods for different distributions of the latent variables. Application to EEG artifact removal and econometric price discovery confirm OT-ICA can be used for applied ICA tasks without distributional assumptions.
The analysis of Multivariate Time Series (MTS) plays an important role in a lot of real-world practical applications, but it still remains some challenging problem about capturing multi-granularity structural patterns and suppressing noise appropriately. Multi-Scale Convolution with Optimal Transport Attention (MSC-OT) is proposed in this paper. MSC-OT is a useful architecture to optimize the attention mechanism. It combines multi-scale convolution with Sinkhorn optimal transport method based on inverted embedding. The inverted embedding approach embeds each variable as a token and allows the model to capture cross-variate relationships better. MSC-OT consists of two part: (1) Multi-Scale Convolution Enhancement, that applies multi-scale convolutions to attention score matrices based on inverted embedding, capturing local structural patterns in the variate-interaction space induced by compressed temporal representations; (2) Sinkhorn Optimal Transport Regularization, that formulates attention computation as an optimal transport problem and employs iterative matrix scaling to ensure balanced information flow across variates. Adaptive Fusion Strategy utilizes softmax-normalized learnable weights to dynamically combine base attention, convolution-enhanced, and OT-regularized scores. Experiments on widely-used datasets, including ETT, Electricity, Traffic, Solar-Energy, and Exchange-Rate, show that MSC-OT achieves well performance in both short-term and long-term forecasting tasks. Ablation experiments further validate the effectiveness of each proposed component and their synergistic contributions to improving prediction accuracy for multivariate time series forecasting.
Markus Heinonen, Yair Shenfeld, Ricardo Baptista +4stat.ML cs.AI cs.LG
Reconstructing population dynamics is a central problem in the physical and data sciences. Often, the dynamics are modeled as a Wasserstein gradient flow (WGF): a curve of distributions driven by an energy functional. Though there are multiple mathematical characterizations of a WGF, the dominant algorithmic approach relies on the Jordan--Kinderlehrer--Otto (JKO) scheme. JKO-based methods are inflexible to time discretisation and require solving costly optimal transport problems. We take a residual approach, enforcing the continuity equations via a non-negative loss function whose minimum is the WGF. Combined with a data-fitting divergence, this gives a single global objective. This perspective unifies several existing methods and leads to a new particle-based method, stitching, that is simulation-free and robust to large gaps between observations. We demonstrate that the stitching method achieves state-of-the-art performance across trajectory inference benchmarks. For code see github.com/BasisResearch/wasserstein-residuals.
Many modern generative modeling methods, including diffusion models, normalizing flows, and flow matching, estimate transport maps or plans between distributions without explicitly targeting an optimal transport (OT) map. In applications like generative modeling, the transport cost itself is irrelevant, and this makes it natural to target maps which are more tractable from either a statistical or computational standpoint. In this short note, we formalize the task of estimating any valid transport map in a rigorous minimax framework. One consequence of this framing is that it yields sample complexity lower bounds for any method whose learned object is evaluated as a transport map or plan, including flow matching and diffusion-based generative models, in settings where direct analysis would be challenging due to the analytic complexity of the methods and their target maps. We observe that, under standard, though strong, stability assumptions from the OT literature, estimating any valid transport map is statistically as hard as estimating the OT map. We complement these results with some examples showing that when these stability assumptions fail, alternative transport maps can be learned substantially more accurately than the OT map. Our minimax framing provides a rigorous foundation for understanding the statistical limits of modern transport-based generative methods and clarifies when targeting sub-optimal maps can provide real statistical advantages.