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Recently, graph neural networks have attracted great attention and achieved prominent performance in various research fields. Most of those algorithms have assumed pairwise relationships of objects of interest. However, in many real…

Machine Learning · Computer Science 2020-10-13 Song Bai , Feihu Zhang , Philip H. S. Torr

Graph neural networks (GNNs) have demonstrated promising performance across various chemistry-related tasks. However, conventional graphs only model the pairwise connectivity in molecules, failing to adequately represent higher-order…

Chemical Physics · Physics 2023-12-22 Junwu Chen , Philippe Schwaller

Graph neural networks (GNN) have been ubiquitous in graph node classification tasks. Most of GNN methods update the node embedding iteratively by aggregating its neighbors' information. However, they often suffer from negative disturbance,…

Machine Learning · Computer Science 2022-02-02 Jie Chen , Shouzhen Chen , Mingyuan Bai , Jian Pu , Junping Zhang , Junbin Gao

In this paper, we present a hypergraph neural networks (HGNN) framework for data representation learning, which can encode high-order data correlation in a hypergraph structure. Confronting the challenges of learning representation for…

Machine Learning · Computer Science 2019-02-26 Yifan Feng , Haoxuan You , Zizhao Zhang , Rongrong Ji , Yue Gao

The progress in hyperbolic neural networks (HNNs) research is hindered by their absence of inductive bias mechanisms, which are essential for generalizing to new tasks and facilitating scalable learning over large datasets. In this paper,…

Machine Learning · Computer Science 2023-10-31 Nurendra Choudhary , Nikhil Rao , Chandan K. Reddy

Graph neural networks (GNNs) have been widely used to learn vector representation of graph-structured data and achieved better task performance than conventional methods. The foundation of GNNs is the message passing procedure, which…

Machine Learning · Computer Science 2022-01-31 Takeshi D. Itoh , Takatomi Kubo , Kazushi Ikeda

The growing interest in hypergraph neural networks (HGNNs) is driven by their capacity to capture the complex relationships and patterns within hypergraph structured data across various domains, including computer vision, complex networks,…

Machine Learning · Computer Science 2025-03-12 Murong Yang , Xin-Jian Xu

Graph neural networks (GNNs) have been widely used in deep learning on graphs. They can learn effective node representations that achieve superior performances in graph analysis tasks such as node classification and node clustering.…

Machine Learning · Computer Science 2021-04-19 Jianxin Li , Hao Peng , Yuwei Cao , Yingtong Dou , Hekai Zhang , Philip S. Yu , Lifang He

Graph neural networks (GNNs) provide powerful insights for brain neuroimaging technology from the view of graphical networks. However, most existing GNN-based models assume that the neuroimaging-produced brain connectome network is a…

Machine Learning · Computer Science 2022-09-30 Gen Shi , Yifan Zhu , Wenjin Liu , Quanming Yao , Xuesong Li

In recent years, powered by the learned discriminative representation via graph neural network (GNN) models, deep graph matching methods have made great progresses in the task of matching semantic features. However, these methods usually…

Computer Vision and Pattern Recognition · Computer Science 2021-11-18 He Liu , Tao Wang , Yidong Li , Congyan Lang , Yi Jin , Haibin Ling

Many real-world graphs (networks) are heterogeneous with different types of nodes and edges. Heterogeneous graph embedding, aiming at learning the low-dimensional node representations of a heterogeneous graph, is vital for various…

Social and Information Networks · Computer Science 2021-12-15 Wentao Xu , Yingce Xia , Weiqing Liu , Jiang Bian , Jian Yin , Tie-Yan Liu

Molecular representation learning, a cornerstone for downstream tasks like molecular captioning and molecular property prediction, heavily relies on Graph Neural Networks (GNN). However, GNN suffers from the over-smoothing problem, where…

Machine Learning · Computer Science 2025-08-13 Zihang Shao , Wentao Lei , Lei Wang , Wencai Ye , Li Liu

Heterogeneous graph neural network (HGNN) is a very popular technique for the modeling and analysis of heterogeneous graphs. Most existing HGNN-based approaches are supervised or semi-supervised learning methods requiring graphs to be…

Machine Learning · Computer Science 2023-11-17 Cuiying Huo , Dongxiao He , Yawen Li , Di Jin , Jianwu Dang , Weixiong Zhang , Witold Pedrycz , Lingfei Wu

Graph Neural Networks (GNNs) excel at relational reasoning but face two persistent challenges: the lack of interpretable attribution for heterogeneous node types, and the computational overhead of message passing over large, noisy graphs.…

Machine Learning · Computer Science 2026-05-12 Seungwoo Kum

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…

Machine Learning · Computer Science 2025-07-08 Eugenio Borzone , Leandro Di Persia , Matias Gerard

Graph Neural Networks (GNNs) have become a prominent approach to machine learning with graphs and have been increasingly applied in a multitude of domains. Nevertheless, since most existing GNN models are based on flat message-passing…

Machine Learning · Computer Science 2022-10-27 Zhiqiang Zhong , Cheng-Te Li , Jun Pang

Graph Neural Networks (GNNs) have been highly successful for the node classification task. GNNs typically assume graphs are homophilic, i.e. neighboring nodes are likely to belong to the same class. However, a number of real-world graphs…

Machine Learning · Computer Science 2024-09-20 Yurui Lai , Taiyan Zhang , Rui Fan

Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to…

Machine Learning · Computer Science 2019-11-11 Ruochi Zhang , Yuesong Zou , Jian Ma

Graphs are widely used to model the relational structure of data, and the research of graph machine learning (ML) has a wide spectrum of applications ranging from drug design in molecular graphs to friendship recommendation in social…

Machine Learning · Computer Science 2022-08-23 Kaize Ding , Jianling Wang , Jundong Li , James Caverlee , Huan Liu

Self-attention mechanism in graph neural networks (GNNs) led to state-of-the-art performance on many graph representation learning tasks. Currently, at every layer, attention is computed between connected pairs of nodes and depends solely…

Machine Learning · Computer Science 2021-08-27 Guangtao Wang , Rex Ying , Jing Huang , Jure Leskovec