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Self-supervised learning has shown its promising capability in graph representation learning in recent work. Most existing pre-training strategies usually choose the popular Graph neural networks (GNNs), which can be seen as a special form…

Machine Learning · Computer Science 2023-06-16 Yilin Ding , Zhen Liu , Hao Hao

In representation learning on the graph-structured data, under heterophily (or low homophily), many popular GNNs may fail to capture long-range dependencies, which leads to their performance degradation. To solve the above-mentioned issue,…

Machine Learning · Computer Science 2021-06-29 Mengying Jiang , Guizhong Liu , Yuanchao Su , Xinliang Wu

Graph contrastive learning defines a contrastive task to pull similar instances close and push dissimilar instances away. It learns discriminative node embeddings without supervised labels, which has aroused increasing attention in the past…

Machine Learning · Computer Science 2023-04-25 Lin Shu , Chuan Chen , Zibin Zheng

Graph-based semi-supervised learning (GSSL) has long been a hot research topic. Traditional methods are generally shallow learners, based on the cluster assumption. Recently, graph convolutional networks (GCNs) have become the predominant…

Machine Learning · Computer Science 2025-08-07 Zheng Wang , Hongming Ding , Li Pan , Jianhua Li , Zhiguo Gong , Philip S. Yu

Graphs are naturally used to describe the structures of various real-world systems in biology, society, computer science etc., where subgraphs or motifs as basic blocks play an important role in function expression and information…

Social and Information Networks · Computer Science 2021-02-11 Jinhuan Wang , Pengtao Chen , Bin Ma , Jiajun Zhou , Zhongyuan Ruan , Guanrong Chen , Qi Xuan

Graph classification is a pivotal challenge in machine learning, especially within the realm of graph-based data, given its importance in numerous real-world applications such as social network analysis, recommendation systems, and…

Machine Learning · Computer Science 2024-07-03 Bowen Zhang , Zhichao Huang , Genan Dai , Guangning Xu , Xiaomao Fan , Hu Huang

Self-supervised heterogeneous graph learning (SHGL) has shown promising potential in diverse scenarios. However, while existing SHGL methods share a similar essential with clustering approaches, they encounter two significant limitations:…

Artificial Intelligence · Computer Science 2024-12-03 Yujie Mo , Zhihe Lu , Runpeng Yu , Xiaofeng Zhu , Xinchao Wang

This work considers the task of representation learning on the attributed relational graph (ARG). Both the nodes and edges in an ARG are associated with attributes/features allowing ARGs to encode rich structural information widely observed…

Machine Learning · Computer Science 2022-08-10 Yifei Wang , Shiyang Chen , Guobin Chen , Ethan Shurberg , Hang Liu , Pengyu Hong

This paper introduces Polynomial Graphical Lasso (PGL), a new approach to learning graph structures from nodal signals. Our key contribution lies in modeling the signals as Gaussian and stationary on the graph, enabling the development of a…

Signal Processing · Electrical Eng. & Systems 2024-04-04 Andrei Buciulea , Jiaxi Ying , Antonio G. Marques , Daniel P. Palomar

Graph deep learning has recently emerged as a powerful ML concept allowing to generalize successful deep neural architectures to non-Euclidean structured data. Such methods have shown promising results on a broad spectrum of applications…

Machine Learning · Computer Science 2022-05-16 Anees Kazi , Luca Cosmo , Seyed-Ahmad Ahmadi , Nassir Navab , Michael Bronstein

While graph neural networks (GNNs) have achieved great success in learning from graph-structured data, their reliance on local, pairwise message passing restricts their ability to capture complex, high-order subgraph patterns. leading to…

Machine Learning · Computer Science 2025-09-12 Junda Ye , Zhongbao Zhang , Li Sun , Siqiang Luo

Graph self-supervised learning (SSL) is now a go-to method for pre-training graph foundation models (GFMs). There is a wide variety of knowledge patterns embedded in the graph data, such as node properties and clusters, which are crucial to…

Machine Learning · Computer Science 2025-05-15 Ziwen Zhao , Yixin Su , Yuhua Li , Yixiong Zou , Ruixuan Li , Rui Zhang

The quest for accurate prediction of drug molecule properties poses a fundamental challenge in the realm of Artificial Intelligence Drug Discovery (AIDD). An effective representation of drug molecules emerges as a pivotal component in this…

Machine Learning · Computer Science 2024-04-22 Zhuoyuan Wang , Jiacong Mi , Shan Lu , Jieyue He

Graph classification aims to extract accurate information from graph-structured data for classification and is becoming more and more important in graph learning community. Although Graph Neural Networks (GNNs) have been successfully…

Machine Learning · Computer Science 2020-06-24 Ning Ma , Jiajun Bu , Jieyu Yang , Zhen Zhang , Chengwei Yao , Zhi Yu , Sheng Zhou , Xifeng Yan

Graph self-supervised learning (GSSL) has demonstrated strong potential for generating expressive graph embeddings without the need for human annotations, making it particularly valuable in domains with high labeling costs such as molecular…

Machine Learning · Computer Science 2026-02-25 Jiele Wu , Haozhe Ma , Zhihan Guo , Thanh Vinh Vo , Tze Yun Leong

Graph Neural Networks (GNNs) are a predominant method for graph representation learning. However, beyond subgraph frequency estimation, their application to network motif significance-profile (SP) prediction remains under-explored, with no…

Machine Learning · Computer Science 2025-07-11 Pedro C. Vieira , Miguel E. P. Silva , Pedro Manuel Pinto Ribeiro

Recent efforts leverage Large Language Models (LLMs) for modeling text-attributed graph structures in node classification tasks. These approaches describe graph structures for LLMs to understand or aggregate LLM-generated textual attribute…

Computation and Language · Computer Science 2025-05-27 Huachi Zhou , Jiahe Du , Chuang Zhou , Chang Yang , Yilin Xiao , Yuxuan Xie , Xiao Huang

Graph structure learning is a well-established problem that aims at optimizing graph structures adaptive to specific graph datasets to help message passing neural networks (i.e., GNNs) to yield effective and robust node embeddings. However,…

Machine Learning · Computer Science 2023-06-21 Wentao Zhao , Qitian Wu , Chenxiao Yang , Junchi Yan

In this work, we address semi-supervised classification of graph data, where the categories of those unlabeled nodes are inferred from labeled nodes as well as graph structures. Recent works often solve this problem via advanced graph…

Machine Learning · Computer Science 2020-01-20 Chunyan Xu , Zhen Cui , Xiaobin Hong , Tong Zhang , Jian Yang , Wei Liu

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