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Distance measures between graphs are important primitives for a variety of learning tasks. In this work, we describe an unsupervised, optimal transport based approach to define a distance between graphs. Our idea is to derive…

Computational Engineering, Finance, and Science · Computer Science 2024-04-11 Michael Scholkemper , Damin Kühn , Gerion Nabbefeld , Simon Musall , Björn Kampa , Michael T. Schaub

Capsule networks (CapsNets) aim to parse images into a hierarchy of objects, parts, and their relations using a two-step process involving part-whole transformation and hierarchical component routing. However, this hierarchical relationship…

Computer Vision and Pattern Recognition · Computer Science 2023-10-25 Pourya Shamsolmoali , Masoumeh Zareapoor , Swagatam Das , Eric Granger , Salvador Garcia

The Gromov-Wasserstein (GW) distance serves as a powerful tool for matching objects in metric spaces. However, its traditional formulation is constrained to pairwise matching between single objects, limiting its utility in scenarios and…

Computer Vision and Pattern Recognition · Computer Science 2026-05-14 Aryan Tajmir Riahi , Khanh Dao Duc

We propose a scalable Gromov-Wasserstein learning (S-GWL) method and establish a novel and theoretically-supported paradigm for large-scale graph analysis. The proposed method is based on the fact that Gromov-Wasserstein discrepancy is a…

Machine Learning · Computer Science 2019-10-10 Hongteng Xu , Dixin Luo , Lawrence Carin

Determining the appropriate number of clusters in unsupervised learning is a central problem in statistics and data science. Traditional validity indices such as Calinski-Harabasz, Silhouette, and Davies-Bouldin-depend on centroid-based…

Machine Learning · Statistics 2025-10-17 Mohammed Baragilly , Hend Gabr

This paper presents a deep relational metric learning (DRML) framework for image clustering and retrieval. Most existing deep metric learning methods learn an embedding space with a general objective of increasing interclass distances and…

Computer Vision and Pattern Recognition · Computer Science 2021-08-24 Wenzhao Zheng , Borui Zhang , Jiwen Lu , Jie Zhou

The Gromov-Wasserstein distance is a notable extension of optimal transport. In contrast to the classic Wasserstein distance, it solves a quadratic assignment problem that minimizes the pair-wise distance distortion under the transportation…

Machine Learning · Computer Science 2024-04-16 Wei Zhang , Zihao Wang , Jie Fan , Hao Wu , Yong Zhang

In this paper, we propose a novel Attentive Multi-View Deep Subspace Nets (AMVDSN), which deeply explores underlying consistent and view-specific information from multiple views and fuse them by considering each view's dynamic contribution…

Computer Vision and Pattern Recognition · Computer Science 2021-12-24 Run-kun Lu , Jian-wei Liu , Xin Zuo

Fused Gromov-Wasserstein (FGW) distances provide a principled framework for comparing objects by jointly aligning structure and node features. However, existing FGW formulations treat all features uniformly, which limits interpretability…

Machine Learning · Computer Science 2026-05-13 Harlin Lee , Ying Yu , Mingxin Li , Ranthony Clark

The Gromov-Wasserstein (GW) distance is a powerful tool for comparing metric measure spaces which has found broad applications in data science and machine learning. Driven by the need to analyze datasets whose objects have increasingly…

Metric Geometry · Mathematics 2026-03-10 Martin Bauer , Facundo Mémoli , Tom Needham , Mao Nishino

We propose a new approach for unsupervised alignment of heterogeneous datasets, which maps data from two different domains without any known correspondences to a common metric space. Our method is based on an unbalanced optimal transport…

Machine Learning · Computer Science 2025-05-14 Florian Beier , Moritz Piening , Robert Beinert , Gabriele Steidl

Hyperbolic representations have shown remarkable efficacy in modeling inherent hierarchies and complexities within data structures. Hyperbolic neural networks have been commonly applied for learning such representations from data, but they…

Machine Learning · Computer Science 2024-07-16 Yifei Yang , Wonjun Lee , Dongmian Zou , Gilad Lerman

A fundamental challenge in data science is to match disparate point sets with each other. While optimal transport efficiently minimizes point displacements under a bijectivity constraint, it is inherently sensitive to rotations. Conversely,…

Computational Geometry · Computer Science 2026-04-17 Guillaume Houry , Jean Feydy , François-Xavier Vialard

Multidimensional scaling (MDS) is a family of methods that embed a given set of points into a simple, usually flat, domain. The points are assumed to be sampled from some metric space, and the mapping attempts to preserve the distances…

Computational Geometry · Computer Science 2014-03-05 Yonathan Aflalo , Anastasia Dubrovina , Ron Kimmel

This paper proposes two algorithms for estimating square Wasserstein distance matrices from a small number of entries. These matrices are used to compute manifold learning embeddings like multidimensional scaling (MDS) or Isomap, but…

Machine Learning · Statistics 2026-05-20 Muhammad Rana , Abiy Tasissa , HanQin Cai , Yakov Gavriyelov , Keaton Hamm

Gaussian mixture models (GMMs) are widely used in machine learning for tasks such as clustering, classification, image reconstruction, and generative modeling. A key challenge in working with GMMs is defining a computationally efficient and…

Machine Learning · Computer Science 2025-08-05 Moritz Piening , Robert Beinert

Deep generative models are tremendously successful in learning low-dimensional latent representations that well-describe the data. These representations, however, tend to much distort relationships between points, i.e. pairwise distances…

Machine Learning · Computer Science 2018-09-14 Tao Yang , Georgios Arvanitidis , Dongmei Fu , Xiaogang Li , Søren Hauberg

The Gromov-Wasserstein (GW) transport problem is a relaxation of classic optimal transport, which seeks a transport between two measures while preserving their internal geometry. Due to meeting this theoretical underpinning, it is a…

Numerical Analysis · Mathematics 2024-03-14 Florian Beier , Robert Beinert

The learning of Gaussian Mixture Models (also referred to simply as GMMs) plays an important role in machine learning. Known for their expressiveness and interpretability, Gaussian mixture models have a wide range of applications, from…

Machine Learning · Computer Science 2023-07-14 Ruichong Zhang

Current Graph Neural Networks (GNN) architectures generally rely on two important components: node features embedding through message passing, and aggregation with a specialized form of pooling. The structural (or topological) information…

Machine Learning · Computer Science 2022-06-01 Cédric Vincent-Cuaz , Rémi Flamary , Marco Corneli , Titouan Vayer , Nicolas Courty