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Machine learning on graphs is an important and ubiquitous task with applications ranging from drug design to friendship recommendation in social networks. The primary challenge in this domain is finding a way to represent, or encode, graph…

Social and Information Networks · Computer Science 2018-04-11 William L. Hamilton , Rex Ying , Jure Leskovec

We consider graph representation learning in a self-supervised manner. Graph neural networks (GNNs) use neighborhood aggregation as a core component that results in feature smoothing among nodes in proximity. While successful in various…

Machine Learning · Computer Science 2021-07-20 Wei Zhuo , Guang Tan

Self-supervised learning of graph neural networks (GNNs) aims to learn an accurate representation of the graphs in an unsupervised manner, to obtain transferable representations of them for diverse downstream tasks. Predictive learning and…

Machine Learning · Computer Science 2022-10-11 Dongki Kim , Jinheon Baek , Sung Ju Hwang

Recently, instance discrimination models have emerged as a major solution for self-supervised learning. Having already demonstrated its effectiveness in the image domain, instance discrimination learning is now proving equally convincing in…

Machine Learning · Computer Science 2026-05-21 Valentin Cuzin-Rambaud , Mathieu Lefort , Rémy Cazabet

Graph embedding aims to transfer a graph into vectors to facilitate subsequent graph analytics tasks like link prediction and graph clustering. Most approaches on graph embedding focus on preserving the graph structure or minimizing the…

Machine Learning · Computer Science 2020-03-04 Shirui Pan , Ruiqi Hu , Sai-fu Fung , Guodong Long , Jing Jiang , Chengqi Zhang

Federated graph representation learning (FedGRL) brings the benefits of distributed training to graph structured data while simultaneously addressing some privacy and compliance concerns related to data curation. However, several…

Machine Learning · Computer Science 2022-10-28 Susheel Suresh , Danny Godbout , Arko Mukherjee , Mayank Shrivastava , Jennifer Neville , Pan Li

Recently a variety of methods have been developed to encode graphs into low-dimensional vectors that can be easily exploited by machine learning algorithms. The majority of these methods start by embedding the graph nodes into a…

Machine Learning · Computer Science 2018-09-13 Yu Jin , Joseph F. JaJa

This paper focuses on learning representation on the whole graph level in an unsupervised manner. Learning graph-level representation plays an important role in a variety of real-world issues such as molecule property prediction, protein…

Machine Learning · Computer Science 2024-01-08 Ge Wang , Zelin Zang , Jiangbin Zheng , Jun Xia , Stan Z. Li

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

Graph representation learning has emerged as a powerful technique for addressing real-world problems. Various downstream graph learning tasks have benefited from its recent developments, such as node classification, similarity search, and…

Machine Learning · Computer Science 2020-07-03 Jiezhong Qiu , Qibin Chen , Yuxiao Dong , Jing Zhang , Hongxia Yang , Ming Ding , Kuansan Wang , Jie Tang

Graph contrastive learning (GCL), as a popular approach to graph self-supervised learning, has recently achieved a non-negligible effect. To achieve superior performance, the majority of existing GCL methods elaborate on graph data…

Machine Learning · Computer Science 2022-05-03 Yuansheng Wang , Wangbin Sun , Kun Xu , Zulun Zhu , Liang Chen , Zibin Zheng

Graph Self-Supervised Learning (GSSL) provides a robust pathway for acquiring embeddings without expert labelling, a capability that carries profound implications for molecular graphs due to the staggering number of potential molecules and…

Machine Learning · Computer Science 2023-10-19 Hanchen Wang , Jean Kaddour , Shengchao Liu , Jian Tang , Joan Lasenby , Qi Liu

Contrastive learning has shown great promise in the field of graph representation learning. By manually constructing positive/negative samples, most graph contrastive learning methods rely on the vector inner product based similarity metric…

Machine Learning · Computer Science 2022-07-27 Yuehui Han , Le Hui , Haobo Jiang , Jianjun Qian , Jin Xie

Graph representation learning (GRL) has emerged as an effective technique for modeling graph-structured data. When modeling heterogeneity and dynamics in real-world complex networks, GRL methods designed for complex heterogeneous temporal…

Social and Information Networks · Computer Science 2026-05-19 Huan Liu , Pengfei Jiao , Mengzhou Gao , Chaochao Chen , Di Jin

Molecular representation learning (MRL) is a key step to build the connection between machine learning and chemical science. In particular, it encodes molecules as numerical vectors preserving the molecular structures and features, on top…

Quantitative Methods · Quantitative Biology 2023-11-30 Zhichun Guo , Kehan Guo , Bozhao Nan , Yijun Tian , Roshni G. Iyer , Yihong Ma , Olaf Wiest , Xiangliang Zhang , Wei Wang , Chuxu Zhang , Nitesh V. Chawla

Graph Representation Learning (GRL) has become essential for modern graph data mining and learning tasks. GRL aims to capture the graph's structural information and exploit it in combination with node and edge attributes to compute…

Machine Learning · Computer Science 2021-09-08 Marinos Poiitis , Pavlos Sermpezis , Athena Vakali

Graph contrastive learning (GCL) aims to align the positive features while differentiating the negative features in the latent space by minimizing a pair-wise contrastive loss. As the embodiment of an outstanding discriminative unsupervised…

Machine Learning · Computer Science 2023-12-27 Jiangmeng Li , Yifan Jin , Hang Gao , Wenwen Qiang , Changwen Zheng , Fuchun Sun

Graph data often contain noisy and spurious correlations that mask the true causal relationships, which are essential for enabling graph models to make predictions based on the underlying causal structure of the data. Dependence on spurious…

Machine Learning · Computer Science 2026-02-23 Simi Job , Xiaohui Tao , Taotao Cai , Haoran Xie , Jianming Yong

Inferring missing links or detecting spurious ones based on observed graphs, known as link prediction, is a long-standing challenge in graph data analysis. With the recent advances in deep learning, graph neural networks have been used for…

Social and Information Networks · Computer Science 2023-01-03 Xingping Xian , Tao Wu , Xiaoke Ma , Shaojie Qiao , Yabin Shao , Chao Wang , Lin Yuan , Yu Wu

Link prediction tasks focus on predicting possible future connections. Most existing researches measure the likelihood of links by different similarity scores on node pairs and predict links between nodes. However, the similarity-based…

Machine Learning · Computer Science 2023-03-09 Zehua Zhang , Shilin Sun , Guixiang Ma , Caiming Zhong
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