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Optimal transport (OT) is a powerful geometric tool used to compare and align probability measures following the least effort principle. Despite its widespread use in machine learning (ML), OT problem still bears its computational burden,…

Machine Learning · Computer Science 2023-08-14 Oliver Struckmeier , Ievgen Redko , Anton Mallasto , Karol Arndt , Markus Heinonen , Ville Kyrki

Generative models have had a profound impact on vision and language, paving the way for a new era of multimodal generative applications. While these successes have inspired researchers to explore using generative models in science and…

Machine Learning · Computer Science 2023-06-05 Giorgio Giannone , Akash Srivastava , Ole Winther , Faez Ahmed

We present a novel framework combining Deep Operator Networks (DeepONets) with Physics-Informed Neural Networks (PINNs) to solve partial differential equations (PDEs) and estimate their unknown parameters. By integrating data-driven…

Machine Learning · Computer Science 2025-08-05 Amogh Raj , Carol Eunice Gudumotou , Sakol Bun , Keerthana Srinivasa , Arash Sarshar

Inverse design optimization aims to infer system parameters from observed solutions, posing critical challenges across domains such as semiconductor manufacturing, structural engineering, materials science, and fluid dynamics. The lack of…

Artificial Intelligence · Computer Science 2025-10-16 Haoyu Yang , Kamyar Azizzadenesheli , Haoxing Ren

Optimal transport (OT) is attracting increasing attention in machine learning. It aims to transport a source distribution to a target one at minimal cost. In its vanilla form, the source and target distributions are predetermined, which…

Machine Learning · Computer Science 2024-01-23 Liangliang Shi , Zhaoqi Shen , Junchi Yan

The task of predicting human motion is complicated by the natural heterogeneity and compositionality of actions, necessitating robustness to distributional shifts as far as out-of-distribution (OoD). Here we formulate a new OoD benchmark…

Computer Vision and Pattern Recognition · Computer Science 2020-11-26 Anthony Bourached , Ryan-Rhys Griffiths , Robert Gray , Ashwani Jha , Parashkev Nachev

Highly complex deep learning models are increasingly integrated into modern cyber-physical systems (CPS), many of which have strict safety requirements. One problem arising from this is that deep learning lacks interpretability, operating…

Machine Learning · Computer Science 2021-07-27 Yeli Feng , Arvind Easwaran

Whilst optimal transport (OT) is increasingly being recognized as a powerful and flexible approach for dealing with fairness issues, current OT fairness methods are confined to the use of discrete OT. In this paper, we leverage recent…

Machine Learning · Computer Science 2021-01-07 Silvia Chiappa , Aldo Pacchiano

Reduced order models (ROMs) are widely used in scientific computing to tackle high-dimensional systems. However, traditional ROM methods may only partially capture the intrinsic geometric characteristics of the data. These characteristics…

Numerical Analysis · Mathematics 2025-01-13 Moaad Khamlich , Federico Pichi , Gianluigi Rozza

Geomagnetic map interpolation aims to infer unobserved geomagnetic data at spatial points, yielding critical applications in navigation and resource exploration. However, existing methods for scattered data interpolation are not…

Artificial Intelligence · Computer Science 2026-02-03 Wenda Li , Tongya Zheng , Kaixuan Chen , Shunyu Liu , Haoze Jiang , Yunzhi Hao , Rui Miao , Zujie Ren , Mingli Song , Hang Shi , Gang Chen

This survey has been written in occasion of the School and Workshop about Optimal Transport on Quantum Structures at Erd\"os Center in September 2022. We discuss some recent results on noncommutative entropic optimal transport problems and…

Mathematical Physics · Physics 2023-10-17 Lorenzo Portinale

Solving inverse problems in physics is central to understanding complex systems and advancing technologies in various fields. Iterative optimization algorithms, commonly used to solve these problems, often encounter local minima, chaos, or…

Machine Learning · Computer Science 2025-01-29 Girnar Goyal , Philipp Holl , Sweta Agrawal , Nils Thuerey

Unsupervised graph alignment aims to find the node correspondence across different graphs without any anchor node pairs. Despite the recent efforts utilizing deep learning-based techniques, such as the embedding and optimal transport…

Machine Learning · Computer Science 2026-03-10 Songyang Chen , Youfang Lin , Yu Liu , Shuai Zheng , Lei Zou

This paper introduces a reduced-order modeling approach based on finite volume methods for hyperbolic systems, combining Proper Orthogonal Decomposition (POD) with the Discrete Empirical Interpolation Method (DEIM) and Proper Interval…

Numerical Analysis · Mathematics 2025-05-07 I. Gómez-Bueno , E. D. Fernández-Nieto , S. Rubino

Generative models producing images have enormous potential to advance discoveries across scientific fields and require metrics capable of quantifying the high dimensional output. We propose that astrophysics data, such as galaxy images, can…

Instrumentation and Methods for Astrophysics · Physics 2024-07-11 Yun Qi Li , Tuan Do , Evan Jones , Bernie Boscoe , Kevin Alfaro , Zooey Nguyen

We introduce the Approximated Optimal Transport (AOT) technique, a novel training scheme for diffusion-based generative models. Our approach aims to approximate and integrate optimal transport into the training process, significantly…

Computer Vision and Pattern Recognition · Computer Science 2024-03-11 Daegyu Kim , Jooyoung Choi , Chaehun Shin , Uiwon Hwang , Sungroh Yoon

For its robust predictive power (compared to pure physics-based models) and sample-efficient training (compared to pure deep learning models), physics-informed deep learning (PIDL), a paradigm hybridizing physics-based models and deep…

Machine Learning · Computer Science 2023-07-04 Xuan Di , Rongye Shi , Zhaobin Mo , Yongjie Fu

Ordinary differential equations (ODEs), via their induced flow maps, provide a powerful framework to parameterize invertible transformations for the purpose of representing complex probability distributions. While such models have achieved…

Statistics Theory · Mathematics 2023-09-06 Youssef Marzouk , Zhi Ren , Sven Wang , Jakob Zech

Recent progress in geometric deep learning has drawn increasing attention from the machine learning community toward domain adaptation on symmetric positive definite (SPD) manifolds, especially for neuroimaging data that often suffer from…

Machine Learning · Computer Science 2025-05-09 Ce Ju , Cuntai Guan

Deep Gaussian process models typically employ discrete hierarchies, but recent advancements in differential Gaussian processes (DiffGPs) have extended these models to infinite depths. However, existing DiffGP approaches often overlook the…

Machine Learning · Computer Science 2025-12-16 Jian Xu , Zhiqi Lin , Min Chen , Junmei Yang , Delu Zeng , John Paisley