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Graph neural networks (GNN) have shown outstanding applications in many fields where data is fundamentally represented as graphs (e.g., chemistry, biology, recommendation systems). In this vein, communication networks comprise many…

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

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

While the celebrated graph neural networks yield effective representations for individual nodes of a graph, there has been relatively less success in extending to the task of graph similarity learning. Recent work on graph similarity…

Machine Learning · Computer Science 2021-08-20 Xiang Ling , Lingfei Wu , Saizhuo Wang , Tengfei Ma , Fangli Xu , Alex X. Liu , Chunming Wu , Shouling Ji

Graph Neural Network (GNN) is a powerful model to learn representations and make predictions on graph data. Existing efforts on GNN have largely defined the graph convolution as a weighted sum of the features of the connected nodes to form…

Machine Learning · Computer Science 2020-06-02 Hongmin Zhu , Fuli Feng , Xiangnan He , Xiang Wang , Yan Li , Kai Zheng , Yongdong Zhang

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

Machine Learning · Computer Science 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

We propose a novel technique to enhance Knowledge Graph Reasoning by combining Graph Convolution Neural Network (GCN) with the Attention Mechanism. This approach utilizes the Attention Mechanism to examine the relationships between entities…

Information Retrieval · Computer Science 2025-03-24 Meera Gupta , Ravi Khanna , Divya Choudhary , Nandini Rao

We explore different strategies to integrate prior domain knowledge into the design of a deep neural network (DNN). We focus on graph neural networks (GNN), with a use case of estimating the potential energy of chemical systems (molecules…

Machine Learning · Computer Science 2022-08-26 Jay Morgan , Adeline Paiement , Christian Klinke

This study proposed a knowledge graph entity extraction and relationship reasoning algorithm based on a graph neural network, using a graph convolutional network and graph attention network to model the complex structure in the knowledge…

Computation and Language · Computer Science 2024-11-26 Junliang Du , Guiran Liu , Jia Gao , Xiaoxuan Liao , Jiacheng Hu , Linxiao Wu

Graphs are ubiquitous in nature and can therefore serve as models for many practical but also theoretical problems. For this purpose, they can be defined as many different types which suitably reflect the individual contexts of the…

Machine Learning · Computer Science 2023-04-27 Josephine M. Thomas , Alice Moallemy-Oureh , Silvia Beddar-Wiesing , Clara Holzhüter

A graph neural network (GNN) for image understanding based on multiple cues is proposed in this paper. Compared to traditional feature and decision fusion approaches that neglect the fact that features can interact and exchange information,…

Computer Vision and Pattern Recognition · Computer Science 2020-03-02 Xin Guo , Luisa F. Polania , Bin Zhu , Charles Boncelet , Kenneth E. Barner

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Graph neural networks (GNNs) demonstrate great performance in compound property and activity prediction due to their capability to efficiently learn complex molecular graph structures. However, two main limitations persist including…

Biomolecules · Quantitative Biology 2023-10-10 Apakorn Kengkanna , Masahito Ohue

Graph neural networks (GNN) represent an emerging line of deep learning models that operate on graph structures. It is becoming more and more popular due to its high accuracy achieved in many graph-related tasks. However, GNN is not as well…

Hardware Architecture · Computer Science 2021-12-28 Zhihui Zhang , Jingwen Leng , Lingxiao Ma , Youshan Miao , Chao Li , Minyi Guo

Modeling human trajectories in crowded environments is challenging due to the complex nature of pedestrian behavior and interactions. This paper proposes a geometric graph neural network (GNN) architecture that integrates domain knowledge…

Machine Learning · Computer Science 2024-10-24 Sara Honarvar , Yancy Diaz-Mercado

Graph neural networks (GNNs) have emerged as a promising solution to deal with unstructured data, outperforming traditional deep learning architectures. However, most of the current GNN models are designed to work with a single graph, which…

Machine Learning · Computer Science 2024-11-11 Victor M. Tenorio , Antonio G. Marques

Graph Neural Networks (GNNs) have shown promising results in various tasks, among which link prediction is an important one. GNN models usually follow a node-centric message passing procedure that aggregates the neighborhood information to…

Machine Learning · Computer Science 2022-01-17 Baole Ai , Zhou Qin , Wenting Shen , Yong Li

Graph neural networks (GNNs) have been successfully applied in many structured data domains, with applications ranging from molecular property prediction to the analysis of social networks. Motivated by the broad applicability of GNNs, we…

Machine Learning · Computer Science 2021-10-12 Clemens Damke , Eyke Hüllermeier

Graph neural networks (GNNs) are powerful deep learning models for graph-structured data, demonstrating remarkable success across diverse domains. Recently, the database (DB) community has increasingly recognized the potentiality of GNNs,…

Databases · Computer Science 2025-02-20 Ziming Li , Youhuan Li , Yuyu Luo , Guoliang Li , Chuxu Zhang