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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

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

Graph representation learning has attracted a surge of interest recently, whose target at learning discriminant embedding for each node in the graph. Most of these representation methods focus on supervised learning and heavily depend on…

Machine Learning · Computer Science 2021-07-07 Pengpeng Shao , Tong Liu , Dawei Zhang , Jianhua Tao , Feihu Che , Guohua Yang

Textual graphs are ubiquitous in real-world applications, featuring rich text information with complex relationships, which enables advanced research across various fields. Textual graph representation learning aims to generate…

Machine Learning · Computer Science 2024-08-22 Wenbin Hu , Huihao Jing , Qi Hu , Haoran Li , Yangqiu Song

Unsupervised (or self-supervised) graph representation learning is essential to facilitate various graph data mining tasks when external supervision is unavailable. The challenge is to encode the information about the graph structure and…

Machine Learning · Computer Science 2020-09-16 Costas Mavromatis , George Karypis

Hypergraphs play a pivotal role in the modelling of data featuring higher-order relations involving more than two entities. Hypergraph neural networks emerge as a powerful tool for processing hypergraph-structured data, delivering…

Machine Learning · Computer Science 2024-06-04 Zexi Liu , Bohan Tang , Ziyuan Ye , Xiaowen Dong , Siheng Chen , Yanfeng Wang

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

We examine two fundamental tasks associated with graph representation learning: link prediction and semi-supervised node classification. We present a novel autoencoder architecture capable of learning a joint representation of both local…

Machine Learning · Computer Science 2019-03-12 Phi Vu Tran

Diffusion has shown great success in improving accuracy of unsupervised image retrieval systems by utilizing high-order structures of image manifold. However, existing diffusion methods suffer from three major limitations: 1) they usually…

Computer Vision and Pattern Recognition · Computer Science 2020-06-15 Zhiyong Dou , Haotian Cui , Lin Zhang , Bo Wang

Self-supervised representation learning on text-attributed graphs, which aims to create expressive and generalizable representations for various downstream tasks, has received increasing research attention lately. However, existing methods…

Computation and Language · Computer Science 2023-10-24 Yichuan Li , Kaize Ding , Kyumin Lee

Graph representation learning (GRL) methods, such as graph neural networks and graph transformer models, have been successfully used to analyze graph-structured data, mainly focusing on node classification and link prediction tasks.…

Machine Learning · Computer Science 2023-08-21 Van Thuy Hoang , O-Joun Lee

Large scale pretrained models have revolutionized Natural Language Processing (NLP) and Computer Vision (CV), showcasing remarkable cross domain generalization abilities. However, in graph learning, models are typically trained on…

Computation and Language · Computer Science 2025-10-03 Ruyue Liu , Rong Yin , Xiangzhen Bo , Xiaoshuai Hao , Yong Liu , Jinwen Zhong , Can Ma , Weiping Wang

The search for new high-performance organic semiconducting molecules is challenging due to the vastness of the chemical space, machine learning methods, particularly deep learning models like graph neural networks (GNNs), have shown…

Chemical Physics · Physics 2021-12-06 Zaixi Zhang , Qi Liu , Shengyu Zhang , Chang-Yu Hsieh , Liang Shi , Chee-Kong Lee

Graphs have a superior ability to represent relational data, like chemical compounds, proteins, and social networks. Hence, graph-level learning, which takes a set of graphs as input, has been applied to many tasks including comparison,…

Machine Learning · Computer Science 2023-05-26 Zhenyu Yang , Ge Zhang , Jia Wu , Jian Yang , Quan Z. Sheng , Shan Xue , Chuan Zhou , Charu Aggarwal , Hao Peng , Wenbin Hu , Edwin Hancock , Pietro Liò

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

Open-world semi-supervised learning aims at inferring both known and novel classes in unlabeled data, by harnessing prior knowledge from a labeled set with known classes. Despite its importance, there is a lack of theoretical foundations…

Machine Learning · Computer Science 2023-11-08 Yiyou Sun , Zhenmei Shi , Yixuan Li

Recent advances in Graph Convolutional Neural Networks (GCNNs) have shown their efficiency for non-Euclidean data on graphs, which often require a large amount of labeled data with high cost. It it thus critical to learn graph feature…

Computer Vision and Pattern Recognition · Computer Science 2020-03-20 Xiang Gao , Wei Hu , Guo-Jun Qi

We consider a family of problems that are concerned about making predictions for the majority of unlabeled, graph-structured data samples based on a small proportion of labeled samples. Relational information among the data samples, often…

Machine Learning · Computer Science 2019-11-05 Jiaqi Ma , Weijing Tang , Ji Zhu , Qiaozhu Mei

With the rapid increase of compound databases available in medicinal and material science, there is a growing need for learning representations of molecules in a semi-supervised manner. In this paper, we propose an unsupervised hierarchical…

Machine Learning · Statistics 2017-11-30 Hai Nguyen , Shin-ichi Maeda , Kenta Oono

Although self-supervised learning enables us to bootstrap the training by exploiting unlabeled data, the generic self-supervised methods for natural images do not sufficiently incorporate the context. For medical images, a desirable method…

Image and Video Processing · Electrical Eng. & Systems 2022-07-08 Li Sun , Ke Yu , Kayhan Batmanghelich