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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…

计算工程、金融与科学 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 统计学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 计算机科学 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…

度量几何 · 数学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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,…

计算几何 · 计算机科学 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…

计算几何 · 计算机科学 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…

机器学习 · 统计学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

数值分析 · 数学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 2022-06-01 Cédric Vincent-Cuaz , Rémi Flamary , Marco Corneli , Titouan Vayer , Nicolas Courty