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Most Graph Neural Networks (GNNs) cannot distinguish some graphs or indeed some pairs of nodes within a graph. This makes it impossible to solve certain classification tasks. However, adding additional node features to these models can…

Machine Learning · Computer Science 2022-09-20 Beni Egressy , Roger Wattenhofer

Link prediction is a pivotal task in graph mining with wide-ranging applications in social networks, recommendation systems, and knowledge graph completion. However, many leading Graph Neural Network (GNN) models often neglect the valuable…

Social and Information Networks · Computer Science 2025-11-11 Ankit Mazumder , Srikanta Bedathur

Link prediction is a key aspect of graph machine learning, with applications as diverse as disease prediction, social network recommendations, and drug discovery. It involves predicting new links that may form between network nodes. Despite…

Machine Learning · Computer Science 2023-09-12 Haohui Lu , Shahadat Uddin

Link prediction is a key problem for network-structured data. Link prediction heuristics use some score functions, such as common neighbors and Katz index, to measure the likelihood of links. They have obtained wide practical uses due to…

Machine Learning · Computer Science 2018-11-21 Muhan Zhang , Yixin Chen

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

Machine Learning · Computer Science 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

Graph neural networks (GNNs) work remarkably well in semi-supervised node regression, yet a rigorous theory explaining when and why they succeed remains lacking. To address this gap, we study an aggregate-and-readout model that encompasses…

Machine Learning · Statistics 2026-02-20 Juntong Chen , Claire Donnat , Olga Klopp , Johannes Schmidt-Hieber

Graph neural networks (GNNs) have become an indispensable tool for analyzing relational data. Classical GNNs are broadly classified into three variants: convolutional, attentional, and message-passing. While the standard message-passing…

Machine Learning · Computer Science 2026-01-09 Brian Godwin Lim , Galvin Brice Lim , Renzo Roel Tan , Irwin King , Kazushi Ikeda

Graph Neural Networks (GNNs) for prediction tasks like node classification or edge prediction have received increasing attention in recent machine learning from graphically structured data. However, a large quantity of labeled graphs is…

Machine Learning · Computer Science 2021-11-22 Yuexin Wu , Yichong Xu , Aarti Singh , Yiming Yang , Artur Dubrawski

Graph neural networks (GNNs) have become compelling models designed to perform learning and inference on graph-structured data. However, little work has been done to understand the fundamental limitations of GNNs for scaling to larger…

Machine Learning · Computer Science 2023-10-27 Hyungeun Lee , Kijung Yoon

Graph neural networks (GNNs) have become a popular approach to integrating structural inductive biases into NLP models. However, there has been little work on interpreting them, and specifically on understanding which parts of the graphs…

Computation and Language · Computer Science 2022-10-04 Michael Sejr Schlichtkrull , Nicola De Cao , Ivan Titov

Graph Neural Networks (GNNs) are prominent in handling sparse and unstructured data efficiently and effectively. Specifically, GNNs were shown to be highly effective for node classification tasks, where labelled information is available for…

Machine Learning · Computer Science 2022-12-01 Moshe Eliasof , Eldad Haber , Eran Treister

Graph neural networks (GNNs) have been demonstrated to be powerful in modeling graph-structured data. However, training GNNs usually requires abundant task-specific labeled data, which is often arduously expensive to obtain. One effective…

Machine Learning · Computer Science 2020-06-30 Ziniu Hu , Yuxiao Dong , Kuansan Wang , Kai-Wei Chang , Yizhou Sun

Graph neural networks (GNNs) have shown promising performance for knowledge graph reasoning. A recent variant of GNN called progressive relational graph neural network (PRGNN), utilizes relational rules to infer missing knowledge in…

Computation and Language · Computer Science 2023-10-23 Shuhan Wu , Huaiyu Wan , Wei Chen , Yuting Wu , Junfeng Shen , Youfang Lin

We propose a novel approach for visual representation learning called Signature-Graph Neural Networks (SGN). SGN learns latent global structures that augment the feature representation of Convolutional Neural Networks (CNN). SGN constructs…

Computer Vision and Pattern Recognition · Computer Science 2021-10-25 Ali Hamdi , Flora Salim , Du Yong Kim , Xiaojun Chang

With the great success of deep learning in various domains, graph neural networks (GNNs) also become a dominant approach to graph classification. By the help of a global readout operation that simply aggregates all node (or node-cluster)…

Machine Learning · Computer Science 2021-11-24 Dongha Lee , Su Kim , Seonghyeon Lee , Chanyoung Park , Hwanjo Yu

Historically, materials informatics has relied on human-designed descriptors of materials structures. In recent years, graph neural networks (GNNs) have been proposed for learning representations of crystal structures from data end-to-end…

Materials Science · Physics 2023-03-29 Sheng Gong , Tian Xie , Yang Shao-Horn , Rafael Gomez-Bombarelli , Jeffrey C. Grossman

Graph Neural Networks (GNNs), which generalize the deep neural networks to graph-structured data, have achieved great success in modeling graphs. However, as an extension of deep learning for graphs, GNNs lack explainability, which largely…

Machine Learning · Computer Science 2021-08-30 Enyan Dai , Suhang Wang

Graph Neural Networks (GNNs) have demonstrated impressive performance across diverse graph-based tasks by leveraging message passing to capture complex node relationships. However, on large-scale real-world graphs, GNNs face two major…

Machine Learning · Computer Science 2026-03-10 Xiang Li , Jianpeng Qi , Haobing Liu , Yuan Cao , Guoqing Chao , Zhongying Zhao , Junyu Dong , Xinwang Liu , Yanwei Yu

Given a signed social graph, how can we learn appropriate node representations to infer the signs of missing edges? Signed social graphs have received considerable attention to model trust relationships. Learning node representations is…

Machine Learning · Computer Science 2020-12-29 Jinhong Jung , Jaemin Yoo , U Kang

The task of graph node classification is often approached by utilizing a local Graph Neural Network (GNN), that learns only local information from the node input features and their adjacency. In this paper, we propose to improve the…

Machine Learning · Computer Science 2024-06-18 Moshe Eliasof , Eran Treister
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