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In this work, we propose a novel approach for subgraph matching, the problem of finding a given query graph in a large source graph, based on the fused Gromov-Wasserstein distance. We formulate the subgraph matching problem as a partial…

Information Theory · Computer Science 2024-07-01 Wen-Xin Pan , Isabel Haasler , Pascal Frossard

Optimal transport (OT) and Gromov-Wasserstein (GW) alignment provide interpretable geometric frameworks for comparing, transforming, and aggregating heterogeneous datasets -- tasks ubiquitous in data science and machine learning. Because…

Machine Learning · Computer Science 2025-12-04 Sanjit Dandapanthula , Aleksandr Podkopaev , Shiva Prasad Kasiviswanathan , Aaditya Ramdas , Ziv Goldfeld

Gaussian processes (GPs) are broadly used as surrogate models for expensive computer simulators of complex phenomena. However, a key bottleneck is that its training data are generated from this expensive simulator and thus can be highly…

Methodology · Statistics 2025-07-15 Liang Ding , Simon Mak , C. F. Jeff Wu

We study the problem of quantifying how far an empirical distribution deviates from Gaussianity under the framework of optimal transport. By exploiting the cone geometry of the relative translation invariant quadratic Wasserstein space, we…

Machine Learning · Computer Science 2026-02-02 Binshuai Wang , Peng Wei

We tackle safe trajectory planning under Gaussian mixture model (GMM) uncertainty. Specifically, we use a GMM to model the multimodal behaviors of obstacles' uncertain states. Then, we develop a mixed-integer conic approximation to the…

Robotics · Computer Science 2025-03-11 Kai Ren , Heejin Ahn , Maryam Kamgarpour

Flow Matching (FM) has emerged as a powerful paradigm for continuous normalizing flows, yet standard FM implicitly performs an unweighted $L^2$ regression over the entire ambient space. In high dimensions, this leads to a fundamental…

Machine Learning · Statistics 2026-05-26 Shinto Eguchi

Gaussian processes (GPs) are commonplace in spatial statistics. Although many non-stationary models have been developed, there is arguably a lack of flexibility compared to equipping each location with its own parameters. However, the…

Machine Learning · Statistics 2018-07-19 Leo L. Duan , Xia Wang , Rhonda D. Szczesniak

We propose a semi-supervised generative model, SeGMA, which learns a joint probability distribution of data and their classes and which is implemented in a typical Wasserstein auto-encoder framework. We choose a mixture of Gaussians as a…

Machine Learning · Computer Science 2020-08-28 Marek Śmieja , Maciej Wołczyk , Jacek Tabor , Bernhard C. Geiger

We propose a novel approach for comparing distributions whose supports do not necessarily lie on the same metric space. Unlike Gromov-Wasserstein (GW) distance which compares pairwise distances of elements from each distribution, we…

Machine Learning · Statistics 2021-04-23 Mokhtar Z. Alaya , Maxime Bérar , Gilles Gasso , Alain Rakotomamonjy

In this paper, we study efficient approximate sampling for probability distributions known up to normalization constants. We specifically focus on a problem class arising in Bayesian inference for large-scale inverse problems in science and…

Machine Learning · Computer Science 2024-10-14 Yifan Chen , Daniel Zhengyu Huang , Jiaoyang Huang , Sebastian Reich , Andrew M. Stuart

Optimizing commercial aircraft cruise trajectories using the Pontryagin Maximum Principle (PMP) is particularly challenging due to the nonlinear dynamics of aircraft speed, complex costate dynamics, and the inclusion of two continuous…

Optimization and Control · Mathematics 2025-09-03 Amin Jafarimoghaddam , Manuel Soler , María Cerezo-Magaña

This paper presents a groundbreaking approach to causal inference by integrating continuous normalizing flows (CNFs) with parametric submodels, enhancing their geometric sensitivity and improving upon traditional Targeted Maximum Likelihood…

Machine Learning · Computer Science 2024-02-02 Kaiwen Hou

Solving optimal transport (OT) on random minibatches is a common surrogate for exact OT in large-scale learning. In flow matching (FM), this surrogate is used to obtain OT-like couplings that can straighten probability paths and reduce…

Machine Learning · Computer Science 2026-05-13 Samuel Boïté , Julie Delon , Kimia Nadjahi

Global aerodynamic design optimization using Euler or Navier-Stokes equations requires very reliable surrogate modeling techniques since the computational effort for the underlying flow simulations is usually high. In general, for such…

Optimization and Control · Mathematics 2018-11-02 Emre Özkaya , Nicolas R. Gauger

We investigate here the optimal transportation problem on configuration space for the quadratic cost. It is shown that, as usual, provided that the corresponding Wasserstein is finite, there exists one unique optimal measure and that this…

Probability · Mathematics 2007-05-23 L. Decreusefond

We present a general (i.e., independent of the underlying model) interpolation technique based on optimal transportation of Gaussian models for parametric advection-dominated problems. The approach relies on a scalar testing function to…

Numerical Analysis · Mathematics 2022-10-19 Angelo Iollo , Tommaso Taddei

Digital twins are developed to model the behavior of a specific physical asset (or twin), and they can consist of high-fidelity physics-based models or surrogates. A highly accurate surrogate is often preferred over multi-physics models as…

Making sense of Wasserstein distances between discrete measures in high-dimensional settings remains a challenge. Recent work has advocated a two-step approach to improve robustness and facilitate the computation of optimal transport, using…

Machine Learning · Computer Science 2019-09-04 François-Pierre Paty , Marco Cuturi

Despite decades of research, creating accurate, robust, and efficient lattice Boltzmann methods (LBM) on non-uniform grids with seamless GPU acceleration remains challenging. This work introduces a novel strategy to address this challenge…

Computational Physics · Physics 2026-01-06 Christophe Coreixas , Jonas Latt

We present a novel method for efficiently computing optimal transport maps and Wasserstein barycenters in high-dimensional spaces. Our approach uses conditional normalizing flows to approximate the input distributions as invertible…

Machine Learning · Statistics 2025-05-29 Gabriele Visentin , Patrick Cheridito