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Graph-structured data are an integral part of many application domains, including chemoinformatics, computational biology, neuroimaging, and social network analysis. Over the last two decades, numerous graph kernels, i.e. kernel functions…

Machine Learning · Computer Science 2021-03-10 Karsten Borgwardt , Elisabetta Ghisu , Felipe Llinares-López , Leslie O'Bray , Bastian Rieck

The Weisfeiler-Lehman graph kernels are among the most prevalent graph kernels due to their remarkable time complexity and predictive performance. Their key concept is based on an implicit comparison of neighborhood representing trees with…

Machine Learning · Computer Science 2021-01-21 Till Hendrik Schulz , Tamás Horváth , Pascal Welke , Stefan Wrobel

This paper studies semi-supervised graph classification, which is an important problem with various applications in social network analysis and bioinformatics. This problem is typically solved by using graph neural networks (GNNs), which…

Machine Learning · Computer Science 2022-05-24 Wei Ju , Junwei Yang , Meng Qu , Weiping Song , Jianhao Shen , Ming Zhang

We propose graph kernels based on subgraph matchings, i.e. structure-preserving bijections between subgraphs. While recently proposed kernels based on common subgraphs (Wale et al., 2008; Shervashidze et al., 2009) in general can not be…

Machine Learning · Computer Science 2012-07-03 Nils Kriege , Petra Mutzel

Graph kernels are historically the most widely-used technique for graph classification tasks. However, these methods suffer from limited performance because of the hand-crafted combinatorial features of graphs. In recent years, graph neural…

Machine Learning · Computer Science 2022-02-28 Aosong Feng , Chenyu You , Shiqiang Wang , Leandros Tassiulas

We propose to study the problem of few shot graph classification in graph neural networks (GNNs) to recognize unseen classes, given limited labeled graph examples. Despite several interesting GNN variants being proposed recently for node…

Machine Learning · Computer Science 2022-05-03 Jatin Chauhan , Deepak Nathani , Manohar Kaul

Subgraph isomorphism counting is known as #P-complete and requires exponential time to find the accurate solution. Utilizing representation learning has been shown as a promising direction to represent substructures and approximate the…

Machine Learning · Computer Science 2024-05-14 Xin Liu , Weiqi Wang , Jiaxin Bai , Yangqiu Song

We introduce stronger notions for approximate single-source shortest-path distances, show how to efficiently compute them from weaker standard notions, and demonstrate the algorithmic power of these new notions and transformations. One…

Data Structures and Algorithms · Computer Science 2022-11-01 Václav Rozhoň , Bernhard Haeupler , Anders Martinsson , Christoph Grunau , Goran Zuzic

Identifying structures in common forms the basis for networked systems design and optimization. However, real structures represented by graphs are often of varying sizes, leading to the low accuracy of traditional graph classification…

Machine Learning · Computer Science 2024-09-04 Xiaoyu Zhang , Wenchuan Yang , Jiawei Feng , Bitao Dai , Tianci Bu , Xin Lu

Graph signal processing (GSP) provides a powerful framework for analyzing signals arising in a variety of domains. In many applications of GSP, multiple network structures are available, each of which captures different aspects of the same…

Machine Learning · Statistics 2021-11-03 Michael Weylandt , George Michailidis , T. Mitchell Roddenberry

Real-world data sets often provide multiple types of information about the same set of entities. This data is well represented by multi-view graphs, which consist of several distinct sets of edges over the same nodes. These can be used to…

Machine Learning · Statistics 2018-08-21 Anuththari Gamage , Brian Rappaport , Shuchin Aeron , Xiaozhe Hu

We study the vertex-decremental Single-Source Shortest Paths (SSSP) problem: given an undirected graph $G=(V,E)$ with lengths $\ell(e)\geq 1$ on its edges and a source vertex $s$, we need to support (approximate) shortest-path queries in…

Data Structures and Algorithms · Computer Science 2019-05-29 Julia Chuzhoy , Sanjeev Khanna

In recent years, kernel methods are widespread in tasks of similarity measuring. Specifically, graph kernels are widely used in fields of bioinformatics, chemistry and financial data analysis. However, existing methods, especially entropy…

Machine Learning · Computer Science 2023-03-27 Chengyu Sun , Xing Ai , Zhihong Zhang , Edwin R Hancock

Gaussian processes (GPs) are an attractive class of machine learning models because of their simplicity and flexibility as building blocks of more complex Bayesian models. Meanwhile, graph neural networks (GNNs) emerged recently as a…

Machine Learning · Computer Science 2023-02-14 Zehao Niu , Mihai Anitescu , Jie Chen

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…

Machine Learning · Computer Science 2019-05-08 Hongteng Xu , Dixin Luo , Hongyuan Zha , Lawrence Carin

We establish a bridge between spectral clustering and Gromov-Wasserstein Learning (GWL), a recent optimal transport-based approach to graph partitioning. This connection both explains and improves upon the state-of-the-art performance of…

Machine Learning · Computer Science 2021-03-04 Samir Chowdhury , Tom Needham

The Constraint Shortest Path (CSP) problem is as follows. An $n$-vertex graph is given, each edge/arc assigned two weights. Let us call them "cost" and "length" for definiteness. Finding a min-cost upper-bounded length path between a given…

Data Structures and Algorithms · Computer Science 2022-04-12 Adil Erzin , Roman Plotnikov , Ilya Ladygin

A device called a 'Gaussian Boson Sampler' has initially been proposed as a near-term demonstration of classically intractable quantum computation. As recently shown, it can also be used to decide whether two graphs are isomorphic. Based on…

Quantum Physics · Physics 2020-03-18 Maria Schuld , Kamil Brádler , Robert Israel , Daiqin Su , Brajesh Gupt

Kernels on graphs have had limited options for node-level problems. To address this, we present a novel, generalized kernel for graphs with node feature data for semi-supervised learning. The kernel is derived from a regularization…

Machine Learning · Computer Science 2022-11-29 Yin-Cong Zhi , Felix L. Opolka , Yin Cheng Ng , Pietro Liò , Xiaowen Dong

We introduce a novel framework for graph signal processing (GSP) that models signals as graph distribution-valued signals (GDSs), which are probability distributions in the Wasserstein space. This approach overcomes key limitations of…

Machine Learning · Statistics 2026-03-25 Yanan Zhao , Feng Ji , Xingchao Jian , Wee Peng Tay