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Recently, graph-based models designed for downstream tasks have significantly advanced research on graph neural networks (GNNs). GNN baselines based on neural message-passing mechanisms such as GCN and GAT perform worse as the network…

Machine Learning · Computer Science 2023-01-26 Jiayuan Chen , Xiang Zhang , Yinfei Xu , Tianli Zhao , Renjie Xie , Wei Xu

Graph Neural Networks (GNNs), originally proposed for node classification, have also motivated many recent works on edge prediction (a.k.a., link prediction). However, existing methods lack elaborate design regarding the distinctions…

Machine Learning · Computer Science 2024-01-24 Jiarui Jin , Yangkun Wang , Weinan Zhang , Quan Gan , Xiang Song , Yong Yu , Zheng Zhang , David Wipf

Graph neural networks (GNNs), as topology/structure-aware models within deep learning, have emerged as powerful tools for AI-aided drug discovery (AIDD). By directly operating on molecular graphs, GNNs offer an intuitive and expressive…

Biomolecules · Quantitative Biology 2025-06-10 Odin Zhang , Haitao Lin , Xujun Zhang , Xiaorui Wang , Zhenxing Wu , Qing Ye , Weibo Zhao , Jike Wang , Kejun Ying , Yu Kang , Chang-yu Hsieh , Tingjun Hou

Network data can be conveniently modeled as a graph signal, where data values are assigned to nodes of a graph that describes the underlying network topology. Successful learning from network data is built upon methods that effectively…

Machine Learning · Computer Science 2021-05-26 Fernando Gama , Elvin Isufi , Geert Leus , Alejandro Ribeiro

Given graphs as input, Graph Neural Networks (GNNs) support the inference of nodes, edges, attributes, or graph properties. Graph Rewriting investigates the rule-based manipulation of graphs to model complex graph transformations. We…

Machine Learning · Computer Science 2023-05-31 Adam Machowczyk , Reiko Heckel

Under circumstances of heterophily, where nodes with different labels tend to be connected based on semantic meanings, Graph Neural Networks (GNNs) often exhibit suboptimal performance. Current studies on graph heterophily mainly focus on…

Machine Learning · Computer Science 2024-11-13 Yilun Zheng , Jiahao Xu , Lihui Chen

Graph Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant…

Machine Learning · Computer Science 2025-12-01 Eshed Gal , Moshe Eliasof , Carola-Bibiane Schönlieb , Ivan I. Kyrchei , Eldad Haber , Eran Treister

This paper investigates the graph neural network (GNN)-enabled beamforming design for interference channels. We propose a model termed interference channel GNN (ICGNN) to solve a quality-of-service constrained energy efficiency maximization…

Signal Processing · Electrical Eng. & Systems 2025-02-07 Changpeng He , Yang Lu , Bo Ai , Octavia A. Dobre , Zhiguo Ding , Dusit Niyato

Graph Neural Networks (GNNs) rely on graph convolutions to exploit meaningful patterns in networked data. Based on matrix multiplications, convolutions incur in high computational costs leading to scalability limitations in practice. To…

Machine Learning · Computer Science 2022-10-28 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

Graph Neural Networks (GNNs) have paved the way for being a cornerstone in graph-related learning tasks. Yet, the ability of GNNs to capture structural interactions within graphs remains under-explored. In this work, we address this gap by…

Machine Learning · Computer Science 2025-03-04 Asela Hevapathige , Qing Wang

Message passing neural networks (MPNNs) learn the representation of graph-structured data based on graph original information, including node features and graph structures, and have shown astonishing improvement in node classification…

Machine Learning · Computer Science 2023-01-30 Xiao Liu , Lijun Zhang , Hui Guan

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

In recent years, Graph Convolutional Networks (GCNs) have achieved great success in learning from graph-structured data. With the growing tendency of graph nodes and edges, GCN training by single processor cannot meet the demand for time…

Machine Learning · Computer Science 2021-10-08 Taige Zhao , Xiangyu Song , Jianxin Li , Wei Luo , Imran Razzak

Graph neural networks (GNNs) are the predominant approach for graph-based machine learning. While neural networks have shown great performance at learning useful representations, they are often criticized for their limited high-level…

Machine Learning · Computer Science 2024-07-09 Markus Zopf , Francesco Alesiani

In recent years, Graph Neural Networks (GNNs) have shown superior performance on diverse real-world applications. To improve the model capacity, besides designing aggregation operations, GNN topology design is also very important. In…

Machine Learning · Computer Science 2022-02-02 Lanning Wei , Huan Zhao , Zhiqiang He

The richness in the content of various information networks such as social networks and communication networks provides the unprecedented potential for learning high-quality expressive representations without external supervision. This…

Machine Learning · Computer Science 2020-02-06 Zhen Peng , Wenbing Huang , Minnan Luo , Qinghua Zheng , Yu Rong , Tingyang Xu , Junzhou Huang

Graph neural networks (GNNs) are typically applied to static graphs that are assumed to be known upfront. This static input structure is often informed purely by insight of the machine learning practitioner, and might not be optimal for the…

Graph Neural Networks (GNNs) are powerful techniques in representation learning for graphs and have been increasingly deployed in a multitude of different applications that involve node- and graph-wise tasks. Most existing studies solve…

Artificial Intelligence · Computer Science 2022-03-21 Zhiqiang Zhong , Cheng-Te Li , Jun Pang

Graph Neural Network (GNN), with the main idea of encoding graph structure information of graphs by propagation and aggregation, has developed rapidly. It achieved excellent performance in representation learning of multiple types of graphs…

Machine Learning · Computer Science 2024-07-04 Yushan Zhu , Wen Zhang , Yajing Xu , Zhen Yao , Mingyang Chen , Huajun Chen

Graph neural networks (GNNs) are powerful tools for handling graph-structured data. However, their design often limits them to learning only higher-order feature interactions, leaving low-order feature interactions overlooked. To address…

Machine Learning · Computer Science 2024-06-14 Minkyu Kim , Hyun-Soo Choi , Jinho Kim