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Many data clustering applications must handle objects that cannot be represented as vectors. In this context, the bag-of-vectors representation describes complex objects through discrete distributions, for which the Wasserstein distance…

Machine Learning · Computer Science 2025-10-15 Alfredo Oneto , Blazhe Gjorgiev , Giovanni Sansavini

The lack of anisotropic kernels in graph neural networks (GNNs) strongly limits their expressiveness, contributing to well-known issues such as over-smoothing. To overcome this limitation, we propose the first globally consistent…

Machine Learning · Computer Science 2021-04-09 Dominique Beaini , Saro Passaro , Vincent Létourneau , William L. Hamilton , Gabriele Corso , Pietro Liò

Graph similarity computation is one of the core operations in many graph-based applications, such as graph similarity search, graph database analysis, graph clustering, etc. Since computing the exact distance/similarity between two graphs…

Machine Learning · Computer Science 2021-05-18 Yunsheng Bai , Hao Ding , Yizhou Sun , Wei Wang

Persistence diagrams (PDs) play a key role in topological data analysis (TDA), in which they are routinely used to describe topological properties of complicated shapes. PDs enjoy strong stability properties and have proven their utility in…

Computational Geometry · Computer Science 2017-11-10 Mathieu Carrière , Marco Cuturi , Steve Oudot

The isomorphism problem is a fundamental problem in network analysis, which involves capturing both low-order and high-order structural information. In terms of extracting low-order structural information, graph isomorphism algorithms…

Data Structures and Algorithms · Computer Science 2023-07-28 Yifan Feng , Jiashu Han , Shihui Ying , Yue Gao

Graph kernels have recently emerged as a promising approach for tackling the graph similarity and learning tasks at the same time. In this paper, we propose a general framework for designing graph kernels. The proposed framework capitalizes…

Machine Learning · Statistics 2018-08-09 Giannis Nikolentzos , Michalis Vazirgiannis

We introduce a novel class of explicit feature maps based on topological indices that represent each graph by a compact feature vector, enabling fast and interpretable graph classification. Using radial basis function kernels on these…

Machine Learning · Computer Science 2025-09-23 Adam Wesołowski , Ronin Wu , Karim Essafi

The GC problem is to identify a pre-determined number of center vertices such that the distances or costs from (or to) the centers to (or from) other vertices is minimized. The bottleneck of a path is the minimum capacity of edges on the…

Data Structures and Algorithms · Computer Science 2013-09-17 Tong-Wook Shinn , Tadao Takaoka

Subgraph representation learning has been effective in solving various real-world problems. However, current graph neural networks (GNNs) produce suboptimal results for subgraph-level tasks due to their inability to capture complex…

Machine Learning · Computer Science 2025-11-12 Dongkwan Kim , Alice Oh

Finding shortest paths in a graph is relevant for numerous problems in computer vision and graphics, including image segmentation, shape matching, or the computation of geodesic distances on discrete surfaces. Traditionally, the concept of…

Computer Vision and Pattern Recognition · Computer Science 2021-12-09 Viktoria Ehm , Daniel Cremers , Florian Bernard

Graph kernels based on the $1$-dimensional Weisfeiler-Leman algorithm and corresponding neural architectures recently emerged as powerful tools for (supervised) learning with graphs. However, due to the purely local nature of the…

Data Structures and Algorithms · Computer Science 2020-10-20 Christopher Morris , Gaurav Rattan , Petra Mutzel

Graph classification aims to extract accurate information from graph-structured data for classification and is becoming more and more important in graph learning community. Although Graph Neural Networks (GNNs) have been successfully…

Machine Learning · Computer Science 2020-06-24 Ning Ma , Jiajun Bu , Jieyu Yang , Zhen Zhang , Chengwei Yao , Zhi Yu , Sheng Zhou , Xifeng Yan

We provide a method to obtain beyond-worst-case time complexity for any single-source-shortest-path (SSSP) algorithm by exploiting modular structures in graphs. The key novelty is a graph decomposition, called the acyclic-connected (A-C)…

Data Structures and Algorithms · Computer Science 2026-03-12 Elis Stefansson , Oliver Biggar , Karl H. Johansson

Pairwise comparison of graphs is key to many applications in Machine learning ranging from clustering, kernel-based classification/regression and more recently supervised graph prediction. Distances between graphs usually rely on…

Machine Learning · Statistics 2023-09-29 Junjie Yang , Matthieu Labeau , Florence d'Alché-Buc

Many real world graphs, such as the graphs of molecules, exhibit structure at multiple different scales, but most existing kernels between graphs are either purely local or purely global in character. In contrast, by building a hierarchy of…

Machine Learning · Statistics 2016-05-31 Risi Kondor , Horace Pan

Multigraph matching is a recent variant of the graph matching problem. In this framework, the optimization procedure considers several graphs and enforces the consistency of the matches along the graphs. This constraint can be formalized as…

Machine Learning · Computer Science 2022-10-12 François-Xavier Dupé , Rohit Yadav , Guillaume Auzias , S. Takerkart

We consider the problem of computing all pairs shortest paths (APSP) and shortest paths for k sources in a weighted graph in the distributed CONGEST model. For graphs with non-negative integer edge weights (including zero weights) we build…

Data Structures and Algorithms · Computer Science 2018-10-22 Udit Agarwal , Vijaya Ramachandran

Cyclic structures are fundamental topological features in graphs, playing critical roles in network robustness, information flow, community structure, and various dynamic processes. Algorithmic tools that can efficiently probe and analyze…

Data Structures and Algorithms · Computer Science 2025-12-02 Heman Shakeri , Torben Amtoft , Behnaz Moradi-Jamei , Nathan Albin , Pietro Poggi-Corradini

Graph filtering is the cornerstone operation in graph signal processing (GSP). Thus, understanding it is key in developing potent GSP methods. Graph filters are local and distributed linear operations, whose output depends only on the local…

Signal Processing · Electrical Eng. & Systems 2022-12-21 T. Mitchell Roddenberry , Fernando Gama , Richard G. Baraniuk , Santiago Segarra

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
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