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Property prediction on molecular graphs is an important application of Graph Neural Networks. Recently, unlabeled molecular data has become abundant, which facilitates the rapid development of self-supervised learning for GNNs in the…

Machine Learning · Computer Science 2023-10-31 Kha-Dinh Luong , Ambuj Singh

Low-dimensional embeddings of nodes in large graphs have proved extremely useful in a variety of prediction tasks, from content recommendation to identifying protein functions. However, most existing approaches require that all nodes in the…

Social and Information Networks · Computer Science 2018-09-11 William L. Hamilton , Rex Ying , Jure Leskovec

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating…

Machine Learning · Computer Science 2019-11-15 Rex Ying , Dylan Bourgeois , Jiaxuan You , Marinka Zitnik , Jure Leskovec

One of the most challenging problems in graph machine learning is generalizing across graphs with diverse properties. Graph neural networks (GNNs) face a fundamental limitation: they require separate training for each new graph, preventing…

Machine Learning · Computer Science 2026-04-22 Jeongwhan Choi , Jongwoo Kim , Woosung Kang , Noseong Park

Link prediction aims to infer missing links or predicting the future ones based on currently observed partial networks, it is a fundamental problem in network science with tremendous real-world applications. However, conventional link…

Social and Information Networks · Computer Science 2019-10-30 Weiwei Gu , Fei Gao , Xiaodan Lou , Jiang Zhang

Hypergraphs, with their capacity to depict high-order relationships, have emerged as a significant extension of traditional graphs. Although Graph Neural Networks (GNNs) have remarkable performance in graph representation learning, their…

Machine Learning · Computer Science 2024-11-07 Khaled Mohammed Saifuddin , Mehmet Emin Aktas , Esra Akbas

Complex networks are widely used to represent an abundance of real-world relations ranging from social networks to brain networks. Inferring missing links or predicting future ones based on the currently observed network is known as the…

Social and Information Networks · Computer Science 2024-03-08 Weiwei Gu , Jinqiang Hou , Weiyi Gu

Graph neural networks (GNNs) are processing architectures that exploit graph structural information to model representations from network data. Despite their success, GNNs suffer from sub-optimal generalization performance given limited…

Machine Learning · Computer Science 2021-06-08 Zhan Gao , Subhrajit Bhattacharya , Leiming Zhang , Rick S. Blum , Alejandro Ribeiro , Brian M. Sadler

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Machine Learning · Computer Science 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

Unsupervised graph representation learning aims to learn low-dimensional node embeddings without supervision while preserving graph topological structures and node attributive features. Previous graph neural networks (GNN) require a large…

Machine Learning · Computer Science 2020-09-04 Yanqiao Zhu , Yichen Xu , Feng Yu , Shu Wu , Liang Wang

In real-world networks, predicting the weight (strength) of links is as crucial as predicting the existence of the links themselves. Previous studies have primarily used shallow graph features for link weight prediction, limiting the…

Social and Information Networks · Computer Science 2024-10-29 Jinbi Liang , Cunlai Pu , Xiangbo Shu , Yongxiang Xia , Chengyi Xia

We examine two fundamental tasks associated with graph representation learning: link prediction and node classification. We present a new autoencoder architecture capable of learning a joint representation of local graph structure and…

Machine Learning · Computer Science 2018-11-08 Phi Vu Tran

Graph Neural Networks (GNNs) have become the backbone for a myriad of tasks pertaining to graphs and similar topological data structures. While many works have been established in domains related to node and graph classification/regression…

Machine Learning · Computer Science 2022-09-07 Appan Rakaraddi , Siew Kei Lam , Mahardhika Pratama , Marcus De Carvalho

Graph Neural Networks have emerged as a useful tool to learn on the data by applying additional constraints based on the graph structure. These graphs are often created with assumed intrinsic relations between the entities. In recent years,…

Machine Learning · Statistics 2021-05-18 Sunil Kumar Maurya , Xin Liu , Tsuyoshi Murata

Topological deep learning is a rapidly growing field that pertains to the development of deep learning models for data supported on topological domains such as simplicial complexes, cell complexes, and hypergraphs, which generalize many…

Graph Neural Networks (GNNs) have recently been used for node and graph classification tasks with great success, but GNNs model dependencies among the attributes of nearby neighboring nodes rather than dependencies among observed node…

Machine Learning · Computer Science 2020-09-30 Mengyue Hang , Jennifer Neville , Bruno Ribeiro

The task of inductive link prediction in (discrete) attributed multigraphs infers missing attributed links (relations) between nodes in new test multigraphs. Traditional relational learning methods face the challenge of limited…

Machine Learning · Computer Science 2023-12-06 Jincheng Zhou , Beatrice Bevilacqua , Bruno Ribeiro

Graphs neural networks (GNNs) learn node features by aggregating and combining neighbor information, which have achieved promising performance on many graph tasks. However, GNNs are mostly treated as black-boxes and lack human intelligible…

Machine Learning · Computer Science 2020-06-05 Hao Yuan , Jiliang Tang , Xia Hu , Shuiwang Ji

Link Prediction (LP) is a critical task in graph machine learning. While Graph Neural Networks (GNNs) have significantly advanced LP performance recently, existing methods face key challenges including limited supervision from sparse…

Machine Learning · Computer Science 2025-08-07 Yu Song , Zhigang Hua , Harry Shomer , Yan Xie , Jingzhe Liu , Bo Long , Hui Liu

Graphs are a common model for complex relational data such as social networks and protein interactions, and such data can evolve over time (e.g., new friendships) and be noisy (e.g., unmeasured interactions). Link prediction aims to predict…

Social and Information Networks · Computer Science 2021-07-01 Abhay Singh , Qian Huang , Sijia Linda Huang , Omkar Bhalerao , Horace He , Ser-Nam Lim , Austin R. Benson