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The emergence of geometric deep learning as a novel framework to deal with graph-based representations has faded away traditional approaches in favor of completely new methodologies. In this paper, we propose a new framework able to combine…

计算机视觉与模式识别 · 计算机科学 2020-08-19 Pau Riba , Andreas Fischer , Josep Lladós , Alicia Fornés

Distance plays a fundamental role in measuring similarity between objects. Various visualization techniques and learning tasks in statistics and machine learning such as shape matching, classification, dimension reduction and clustering…

机器学习 · 统计学 2025-04-23 Dianbin Bao , Kisung You , Lizhen Lin

Seminal research in the field of graph neural networks (GNNs) has revealed a direct correspondence between the expressive capabilities of GNNs and the $k$-dimensional Weisfeiler-Leman ($k$WL) test, a widely-recognized method for verifying…

机器学习 · 计算机科学 2024-03-29 Matthias Lanzinger , Pablo Barceló

Finding meaningful distances between high-dimensional data samples is an important scientific task. To this end, we propose a new tree-Wasserstein distance (TWD) for high-dimensional data with two key aspects. First, our TWD is specifically…

机器学习 · 计算机科学 2025-02-25 Ya-Wei Eileen Lin , Ronald R. Coifman , Gal Mishne , Ronen Talmon

Wasserstein distances provide a powerful framework for comparing data distributions. They can be used to analyze processes over time or to detect inhomogeneities within data. However, simply calculating the Wasserstein distance or analyzing…

机器学习 · 计算机科学 2026-03-03 Philip Naumann , Jacob Kauffmann , Grégoire Montavon

A novel Gromov-Wasserstein learning framework is proposed to jointly match (align) graphs and learn embedding vectors for the associated graph nodes. Using Gromov-Wasserstein discrepancy, we measure the dissimilarity between two graphs and…

机器学习 · 计算机科学 2019-05-08 Hongteng Xu , Dixin Luo , Hongyuan Zha , Lawrence Carin

The Gromov-Wasserstein (GW) distance is frequently used in machine learning to compare distributions across distinct metric spaces. Despite its utility, it remains computationally intensive, especially for large-scale problems. Recently, a…

机器学习 · 统计学 2024-10-01 Antoine Salmona , Julie Delon , Agnès Desolneux

Motivated by the statistical and computational challenges of computing Wasserstein distances in high-dimensional contexts, machine learning researchers have defined modified Wasserstein distances based on computing distances between…

概率论 · 数学 2022-06-02 Jiaqi Xi , Jonathan Niles-Weed

Graph isomorphism, a classical algorithmic problem, determines whether two input graphs are structurally identical or not. Interestingly, it is one of the few problems that is not yet known to belong to either the P or NP-complete…

数据结构与算法 · 计算机科学 2024-10-01 Sourav Dutta , Arnab Bhattacharya

Wasserstein distance, which measures the discrepancy between distributions, shows efficacy in various types of natural language processing (NLP) and computer vision (CV) applications. One of the challenges in estimating Wasserstein distance…

机器学习 · 统计学 2022-06-27 Makoto Yamada , Yuki Takezawa , Ryoma Sato , Han Bao , Zornitsa Kozareva , Sujith Ravi

The ability to represent and compare machine learning models is crucial in order to quantify subtle model changes, evaluate generative models, and gather insights on neural network architectures. Existing techniques for comparing data…

While the existing stochastic control theory is well equipped to handle dynamical systems with stochastic uncertainties, a paradigm shift using distance measure based decision making is required for the effective further exploration of the…

最优化与控制 · 数学 2025-12-02 Venkatraman Renganathan , Sei Zhen Khong

Disentangling polysemantic neurons is at the core of many current approaches to interpretability of large language models. Here we attempt to study how disentanglement can be used to understand performance, particularly under weight…

机器学习 · 计算机科学 2025-02-27 Shashata Sawmya , Linghao Kong , Ilia Markov , Dan Alistarh , Nir Shavit

Graph neural networks (GNNs) are deep learning architectures for machine learning problems on graphs. It has recently been shown that the expressiveness of GNNs can be characterised precisely by the combinatorial Weisfeiler-Leman algorithms…

机器学习 · 计算机科学 2022-01-11 Martin Grohe

The $k$-Weisfeiler-Leman ($k$-WL) graph isomorphism test hierarchy is a common method for assessing the expressive power of graph neural networks (GNNs). Recently, GNNs whose expressive power is equivalent to the $2$-WL test were proven to…

机器学习 · 计算机科学 2024-06-27 Snir Hordan , Tal Amir , Nadav Dym

Recently, a new distance has been introduced for the graphs of two point-to-set operators, one of which is maximally monotone. When both operators are the subdifferential of a proper lower semicontinuous convex function, this distance…

泛函分析 · 数学 2020-09-29 Regina S. Burachik , Minh N. Dao , Scott B. Lindstrom

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

We propose a new functional analytic approach to Stein's method of exchangeable pairs that does not require the pair at hand to satisfy any approximate linear regression property. We make use of this theory in order to derive abstract…

概率论 · 数学 2020-08-13 Christian Döbler

Graph Neural Networks (GNNs) are limited in their expressive power, struggle with long-range interactions and lack a principled way to model higher-order structures. These problems can be attributed to the strong coupling between the…

Generalized sliced Wasserstein distance is a variant of sliced Wasserstein distance that exploits the power of non-linear projection through a given defining function to better capture the complex structures of the probability…

机器学习 · 统计学 2022-10-20 Dung Le , Huy Nguyen , Khai Nguyen , Trang Nguyen , Nhat Ho