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Owing to the remarkable capability of extracting effective graph embeddings, graph convolutional network (GCN) and its variants have been successfully applied to a broad range of tasks, such as node classification, link prediction, and…

Machine Learning · Computer Science 2021-07-13 Ronghang Zhu , Zhiqiang Tao , Yaliang Li , Sheng Li

We consider feature representation learning problem of molecular graphs. Graph Neural Networks have been widely used in feature representation learning of molecular graphs. However, most existing methods deal with molecular graphs…

Machine Learning · Computer Science 2022-06-08 Zhaoning Yu , Hongyang Gao

The development of self-supervised graph pre-training methods is a crucial ingredient in recent efforts to design robust graph foundation models (GFMs). Structure-based pre-training methods are under-explored yet crucial for downstream…

Machine Learning · Computer Science 2025-11-11 Howard Dai , Nyambura Njenga , Hiren Madhu , Siddharth Viswanath , Ryan Pellico , Ian Adelstein , Smita Krishnaswamy

The graph structure is a commonly used data storage mode, and it turns out that the low-dimensional embedded representation of nodes in the graph is extremely useful in various typical tasks, such as node classification, link prediction ,…

Social and Information Networks · Computer Science 2020-08-03 Xing Li , Wei Wei , Xiangnan Feng , Xue Liu , Zhiming Zheng

Social segregation in cities, spanning racial, residential, and income dimensions, is becoming more diverse and severe. As urban spaces and social relations grow more complex, residents in metropolitan areas experience varying levels of…

Artificial Intelligence · Computer Science 2024-12-25 Tengfei He , Xiao Zhou

Recent work on Graph Neural Networks has demonstrated that self-supervised pretraining can further enhance performance on downstream graph, link, and node classification tasks. However, the efficacy of pretraining tasks has not been fully…

Machine Learning · Computer Science 2023-03-28 Jonathan Pilault , Michael Galkin , Bahare Fatemi , Perouz Taslakian , David Vasquez , Christopher Pal

Graph neural network (GNN) pre-training methods have been proposed to enhance the power of GNNs. Specifically, a GNN is first pre-trained on a large-scale unlabeled graph and then fine-tuned on a separate small labeled graph for downstream…

Machine Learning · Computer Science 2022-09-16 Simiao Zuo , Haoming Jiang , Qingyu Yin , Xianfeng Tang , Bing Yin , Tuo Zhao

Graph neural networks (GNNs) and heterogeneous graph neural networks (HGNNs) are prominent techniques for homogeneous and heterogeneous graph representation learning, yet their performance in an end-to-end supervised framework greatly…

Machine Learning · Computer Science 2024-08-27 Xingtong Yu , Yuan Fang , Zemin Liu , Xinming Zhang

Graph convolutional networks have made great progress in graph-based semi-supervised learning. Existing methods mainly assume that nodes connected by graph edges are prone to have similar attributes and labels, so that the features smoothed…

Machine Learning · Computer Science 2022-06-13 Yating Ren , Junzhong Ji , Lingfeng Niu , Minglong Lei

Given the ubiquity of graph data, it is intriguing to ask: Is it possible to train a graph foundation model on a broad range of graph data across diverse domains? A major hurdle toward this goal lies in the fact that graphs from different…

Machine Learning · Computer Science 2024-09-24 Xingtong Yu , Chang Zhou , Yuan Fang , Xinming Zhang

Graph Neural networks (GNNs) have recently become a powerful technique for many graph-related tasks including graph classification. Current GNN models apply different graph pooling methods that reduce the number of nodes and edges to learn…

Machine Learning · Computer Science 2023-03-08 Muhammad Ifte Khairul Islam , Max Khanov , Esra Akbas

Masked Graph Auto-Encoder, a powerful graph self-supervised training paradigm, has recently shown superior performance in graph representation learning. Existing works typically rely on node contextual information to recover the masked…

Machine Learning · Computer Science 2025-08-15 Ziyu Zheng , Yaming Yang , Ziyu Guan , Wei Zhao , Weigang Lu

The emergence of graph foundation models (GFMs), particularly those incorporating language models (LMs), has revolutionized graph learning and demonstrated remarkable performance on text-attributed graphs (TAGs). However, compared to…

Cryptography and Security · Computer Science 2025-10-17 Xiaoyu Xue , Yuni Lai , Chenxi Huang , Yulin Zhu , Gaolei Li , Xiaoge Zhang , Kai Zhou

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Graphs can model complicated interactions between entities, which naturally emerge in many important applications. These applications can often be cast into standard graph learning tasks, in which a crucial step is to learn low-dimensional…

Machine Learning · Computer Science 2023-07-04 Xuexin Chen , Ruichu Cai , Yuan Fang , Min Wu , Zijian Li , Zhifeng Hao

Recently, generative graph models have shown promising results in learning graph representations through self-supervised methods. However, most existing generative graph representation learning (GRL) approaches rely on random masking across…

Machine Learning · Computer Science 2026-05-08 Xinyue Hu , Zhibin Duan , Xinyang Liu , Yuxin Li , Bo Chen , Chaojie Wang , Yilin He , Hongwei Liu , Mingyuan Zhou

The application of deep learning to symbolic domains remains an active research endeavour. Graph neural networks (GNN), consisting of trained neural modules which can be arranged in different topologies at run time, are sound alternatives…

Social and Information Networks · Computer Science 2019-12-02 Pedro H. C. Avelar , Henrique Lemos , Marcelo O. R. Prates , Luis Lamb

Molecular graph representation learning is a fundamental problem in modern drug and material discovery. Molecular graphs are typically modeled by their 2D topological structures, but it has been recently discovered that 3D geometric…

Machine Learning · Computer Science 2022-05-31 Shengchao Liu , Hanchen Wang , Weiyang Liu , Joan Lasenby , Hongyu Guo , Jian Tang

Graph Anomaly Detection (GAD) is a challenging and practical research topic where Graph Neural Networks (GNNs) have recently shown promising results. The effectiveness of existing GNNs in GAD has been mainly attributed to the simultaneous…

Machine Learning · Computer Science 2024-10-25 Jiashun Cheng , Zinan Zheng , Yang Liu , Jianheng Tang , Hongwei Wang , Yu Rong , Jia Li , Fugee Tsung

Graph Neural Networks (GNNs) have emerged as powerful tools for learning over graph-structured data, yet recent studies have shown that their performance gains are beginning to plateau. In many cases, well-established models such as GCN and…

Machine Learning · Computer Science 2026-02-13 Mohit Meena , Yash Punjabi , Abhishek A , Vishal Sharma , Mahesh Chandran