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Graph sparsification is a powerful tool to approximate an arbitrary graph and has been used in machine learning over homogeneous graphs. In heterogeneous graphs such as knowledge graphs, however, sparsification has not been systematically…

Machine Learning · Computer Science 2022-11-15 Chandan Chunduru , Chun Jiang Zhu , Blake Gains , Jinbo Bi

Many problems in computer vision and machine learning can be cast as learning on hypergraphs that represent higher-order relations. Recent approaches for hypergraph learning extend graph neural networks based on message passing, which is…

Machine Learning · Computer Science 2022-08-23 Jinwoo Kim , Saeyoon Oh , Sungjun Cho , Seunghoon Hong

Heterogeneous graph neural networks (HGNNs) have powerful capability to embed rich structural and semantic information of a heterogeneous graph into node representations. Existing HGNNs inherit many mechanisms from graph neural networks…

Machine Learning · Computer Science 2023-09-04 Xiaocheng Yang , Mingyu Yan , Shirui Pan , Xiaochun Ye , Dongrui Fan

The invariance to permutations of the adjacency matrix, i.e., graph isomorphism, is an overarching requirement for Graph Neural Networks (GNNs). Conventionally, this prerequisite can be satisfied by the invariant operations over node…

Machine Learning · Computer Science 2022-05-31 Zhongyu Huang , Yingheng Wang , Chaozhuo Li , Huiguang He

Graphs with heterophily, where adjacent nodes carry different labels, are prevalent in real-world applications, from social networks to molecular interactions. However, existing spectral Graph Neural Network (GNN) approaches tailored for…

Machine Learning · Computer Science 2026-05-13 Md Sazzad Hossen , Avimanyu Sahoo

Equivariant machine learning is an approach for designing deep learning models that respect the symmetries of the problem, with the aim of reducing model complexity and improving generalization. In this paper, we focus on an extension of…

Machine Learning · Computer Science 2024-12-10 Ya-Wei Eileen Lin , Ronen Talmon , Ron Levie

Graph Neural Networks (GNNs) are a promising deep learning approach for circumventing many real-world problems on graph-structured data. However, these models usually have at least one of four fundamental limitations: over-smoothing,…

Machine Learning · Computer Science 2022-10-03 Xun Liu , Alex Hay-Man Ng , Fangyuan Lei , Yikuan Zhang , Zhengmin Li

Graph similarity learning (GSL), also referred to as graph matching in many scenarios, is a fundamental problem in computer vision, pattern recognition, and graph learning. However, previous GSL methods assume that graphs are homogeneous…

Machine Learning · Computer Science 2025-03-13 Shilong Sang , Ke-Jia Chen , Zheng liu

This paper explores the applications and challenges of graph neural networks (GNNs) in processing complex graph data brought about by the rapid development of the Internet. Given the heterogeneity and redundancy problems that graph data…

Machine Learning · Computer Science 2024-10-24 Jianjun Wei , Yue Liu , Xin Huang , Xin Zhang , Wenyi Liu , Xu Yan

Soft, porous mechanical metamaterials exhibit pattern transformations that may have important applications in soft robotics, sound reduction and biomedicine. To design these innovative materials, it is important to be able to simulate them…

Soft Condensed Matter · Physics 2025-03-14 Fleur Hendriks , Vlado Menkovski , Martin Doškář , Marc G. D. Geers , Ondřej Rokoš

Equivariant Graph Neural Networks (EGNNs) have emerged as a promising approach in Multi-Agent Reinforcement Learning (MARL), leveraging symmetry guarantees to greatly improve sample efficiency and generalization. However, real-world…

Machine Learning · Computer Science 2025-03-21 Joshua McClellan , Greyson Brothers , Furong Huang , Pratap Tokekar

The pre-training and fine-tuning methods have gained widespread attention in the field of heterogeneous graph neural networks due to their ability to leverage large amounts of unlabeled data during the pre-training phase, allowing the model…

Machine Learning · Computer Science 2025-07-11 Pengfei Jiao , Jialong Ni , Di Jin , Xuan Guo , Huan Liu , Hongjiang Chen , Yanxian Bi

Recently there is a growing focus on graph data, and multi-view graph clustering has become a popular area of research interest. Most of the existing methods are only applicable to homophilous graphs, yet the extensive real-world graph data…

Machine Learning · Computer Science 2024-01-08 Zichen Wen , Yawen Ling , Yazhou Ren , Tianyi Wu , Jianpeng Chen , Xiaorong Pu , Zhifeng Hao , Lifang He

Graph neural network (GNN) has gained increasing popularity in recent years owing to its capability and flexibility in modeling complex graph structure data. Among all graph learning methods, hypergraph learning is a technique for exploring…

Machine Learning · Computer Science 2024-12-31 Tiehua Zhang , Yuze Liu , Zhishu Shen , Xingjun Ma , Peng Qi , Zhijun Ding , Jiong Jin

Homophily principle, \ie{} nodes with the same labels or similar attributes are more likely to be connected, has been commonly believed to be the main reason for the superiority of Graph Neural Networks (GNNs) over traditional Neural…

Graph Neural Networks have emerged as the most popular architecture for graph-level learning, including graph classification and regression tasks, which frequently arise in areas such as biochemistry and drug discovery. Achieving good…

Machine Learning · Computer Science 2025-03-04 Lukas Fesser , Melanie Weber

This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does…

Machine Learning · Computer Science 2022-02-17 Victor Garcia Satorras , Emiel Hoogeboom , Max Welling

A large driver of the complexity of graph learning is the interplay between structure and features. When analyzing the expressivity of graph neural networks, however, existing approaches ignore features in favor of structure, making it…

Machine Learning · Computer Science 2026-03-04 Martin Carrasco , Olga Zaghen , Kavir Sumaraj , Erik Bekkers , Bastian Rieck

Graph neural networks (GNN) have shown great advantages in many graph-based learning tasks but often fail to predict accurately for a task-based on sets of nodes such as link/motif prediction and so on. Many works have recently proposed to…

Machine Learning · Computer Science 2022-06-24 Haorui Wang , Haoteng Yin , Muhan Zhang , Pan Li

Graph convolution networks (GCNs) have been enormously successful in learning representations over several graph-based machine learning tasks. Specific to learning rich node representations, most of the methods have solely relied on the…

Machine Learning · Computer Science 2022-11-03 Ashish Tiwari , Sresth Tosniwal , Shanmuganathan Raman