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Graph pre-training strategies have been attracting a surge of attention in the graph mining community, due to their flexibility in parameterizing graph neural networks (GNNs) without any label information. The key idea lies in encoding…

Machine Learning · Computer Science 2022-08-23 Dawei Zhou , Lecheng Zheng , Dongqi Fu , Jiawei Han , Jingrui He

Graph Edit Distance (GED) is a fundamental, albeit NP-hard, metric for structural graph similarity. Recent neural graph matching architectures approximate GED by first encoding graphs with a Graph Neural Network (GNN) and then applying…

Machine Learning · Computer Science 2026-05-08 Jyotirmaya Shivottam , Subhankar Mishra

Graph Neural Networks (GNNs) have emerged as a flexible and powerful approach for learning over graphs. Despite this success, existing GNNs are constrained by their local message-passing architecture and are provably limited in their…

Machine Learning · Computer Science 2021-10-29 Rajat Talak , Siyi Hu , Lisa Peng , Luca Carlone

Subgraph isomorphism counting is an important problem on graphs, as many graph-based tasks exploit recurring subgraph patterns. Classical methods usually boil down to a backtracking framework that needs to navigate a huge search space with…

Machine Learning · Computer Science 2024-01-25 Xingtong Yu , Zemin Liu , Yuan Fang , Xinming Zhang

One of the major challenges in applications related to social networks, computational biology, collaboration networks etc., is to efficiently search for similar patterns in their underlying graphs. These graphs are typically noisy and…

Social and Information Networks · Computer Science 2015-12-17 Kanigalpula Samanvi , Naveen Sivadasan

Capturing semantic consistency among nodes is crucial for effective graph representation learning. Existing approaches typically rely on $k$-nearest neighbors ($k$NN) or other node-level full search algorithms (FSA) to mine semantic…

Artificial Intelligence · Computer Science 2026-05-06 Genhao Tian , Taihua Xu , Shuyin Xia , Qinghua Zhang , Jie Yang , Jianjun Chen

Graph classification is a pivotal challenge in machine learning, especially within the realm of graph-based data, given its importance in numerous real-world applications such as social network analysis, recommendation systems, and…

Machine Learning · Computer Science 2024-07-03 Bowen Zhang , Zhichao Huang , Genan Dai , Guangning Xu , Xiaomao Fan , Hu Huang

The goal of graph summarization is to represent large graphs in a structured and compact way. A graph summary based on equivalence classes preserves pre-defined features of a graph's vertex within a $k$-hop neighborhood such as the vertex…

Machine Learning · Computer Science 2022-12-09 Maximilian Blasi , Manuel Freudenreich , Johannes Horvath , David Richerby , Ansgar Scherp

Among various distance functions for graphs, graph and subgraph edit distances (GED and SED respectively) are two of the most popular and expressive measures. Unfortunately, exact computations for both are NP-hard. To overcome this…

Machine Learning · Computer Science 2023-04-25 Rishabh Ranjan , Siddharth Grover , Sourav Medya , Venkatesan Chakaravarthy , Yogish Sabharwal , Sayan Ranu

Graph embedding methods aim at finding useful graph representations by mapping nodes to a low-dimensional vector space. It is a task with important downstream applications, such as link prediction, graph reconstruction, data visualization,…

Machine Learning · Computer Science 2022-09-13 Said Kerrache , Hafida Benhidour

We propose a novel benchmarking methodology for graph neural networks (GNNs) based on the graph alignment problem, a combinatorial optimization task that generalizes graph isomorphism by aligning two unlabeled graphs to maximize overlapping…

Machine Learning · Computer Science 2025-05-20 Adrien Lagesse , Marc Lelarge

Graph neural networks (GNNs) are widely used for learning node embeddings in graphs, typically adopting a message-passing scheme. This approach, however, leads to the neighbor explosion problem, with exponentially growing computational and…

Machine Learning · Computer Science 2025-07-08 Zichao Yue , Chenhui Deng , Zhiru Zhang

Small subgraphs (graphlets) are important features to describe fundamental units of a large network. The calculation of the subgraph frequency distributions has a wide application in multiple domains including biology and engineering.…

Machine Learning · Computer Science 2022-07-15 Zhongren Chen , Xinyue Xu , Shengyi Jiang , Hao Wang , Lu Mi

Graph Neural Networks (GNNs) struggle to balance heterophily and homophily in representation learning, a challenge further amplified in self-supervised settings. We propose H$^3$GNNs, an end-to-end self-supervised learning framework that…

Machine Learning · Computer Science 2025-04-17 Rui Xue , Tianfu Wu

Graph Neural Networks have shown excellent performance on semi-supervised classification tasks. However, they assume access to a graph that may not be often available in practice. In the absence of any graph, constructing k-Nearest Neighbor…

Machine Learning · Computer Science 2021-02-23 Vijay Lingam , Arun Iyer , Rahul Ragesh

Deep graph embedding is an important approach for community discovery. Deep graph neural network with self-supervised mechanism can obtain the low-dimensional embedding vectors of nodes from unlabeled and unstructured graph data. The…

Social and Information Networks · Computer Science 2021-02-09 Shuliang Xu , Shenglan Liu , Lin Feng

Graph Neural Networks (GNNs) are powerful deep learning models to generate node embeddings on graphs. When applying deep GNNs on large graphs, it is still challenging to perform training in an efficient and scalable way. We propose a novel…

Machine Learning · Computer Science 2020-10-08 Hanqing Zeng , Hongkuan Zhou , Ajitesh Srivastava , Rajgopal Kannan , Viktor Prasanna

Graph-based semi-supervised node classification has been shown to become a state-of-the-art approach in many applications with high research value and significance. Most existing methods are only based on the original intrinsic or…

Machine Learning · Computer Science 2023-06-08 Jianpeng Liao , Jun Yan , Qian Tao

Graph Neural Networks (GNNs) have been widely applied to various fields for learning over graph-structured data. They have shown significant improvements over traditional heuristic methods in various tasks such as node classification and…

Machine Learning · Computer Science 2022-06-10 Seongjun Yun , Seoyoon Kim , Junhyun Lee , Jaewoo Kang , Hyunwoo J. Kim

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang