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Molecular Machine Learning (ML) bears promise for efficient molecule property prediction and drug discovery. However, labeled molecule data can be expensive and time-consuming to acquire. Due to the limited labeled data, it is a great…

Machine Learning · Computer Science 2022-04-01 Yuyang Wang , Jianren Wang , Zhonglin Cao , Amir Barati Farimani

Unsupervised graph anomaly detection is crucial for various practical applications as it aims to identify anomalies in a graph that exhibit rare patterns deviating significantly from the majority of nodes. Recent advancements have utilized…

Machine Learning · Computer Science 2023-12-12 Yuanchen Bei , Sheng Zhou , Qiaoyu Tan , Hao Xu , Hao Chen , Zhao Li , Jiajun Bu

Graph anomaly detection (GAD) aims to identify nodes that deviate from normal patterns in structure or features. While recent GNN-based approaches have advanced this task, they struggle with two major challenges: 1) homophily disparity,…

Machine Learning · Computer Science 2026-03-10 Yunhui Liu , Qizhuo Xie , Yinfeng Chen , Xudong Jin , Tao Zheng , Bin Chong , Tieke He

Graph Contrastive Learning (GCL) has shown strong promise for unsupervised graph representation learning, yet its effectiveness on heterophilic graphs, where connected nodes often belong to different classes, remains limited. Most existing…

Machine Learning · Computer Science 2026-05-12 Yanan Zhao , Feng Ji , Jingyang Dai , Jiaze Ma , Wee Peng Tay

Recently, Graph Neural Networks (GNNs) achieve remarkable success in Recommendation. To reduce the influence of data sparsity, Graph Contrastive Learning (GCL) is adopted in GNN-based CF methods for enhancing performance. Most GCL methods…

Information Retrieval · Computer Science 2023-02-07 Junjie Huang , Qi Cao , Ruobing Xie , Shaoliang Zhang , Feng Xia , Huawei Shen , Xueqi Cheng

The advent of graph convolutional network (GCN)-based multi-view learning provides a powerful framework for integrating structural information from heterogeneous views, enabling effective modeling of complex multi-view data. However,…

Machine Learning · Computer Science 2025-12-17 Huaiyuan Xiao , Fadi Dornaika , Jingjun Bi

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

This paper studies the problem of class-imbalanced graph classification, which aims at effectively classifying the graph categories in scenarios with imbalanced class distributions. While graph neural networks (GNNs) have achieved…

Machine Learning · Computer Science 2024-12-31 Wei Ju , Zhengyang Mao , Siyu Yi , Yifang Qin , Yiyang Gu , Zhiping Xiao , Jianhao Shen , Ziyue Qiao , Ming Zhang

Graph contrastive learning (GCL) is the most representative and prevalent self-supervised learning approach for graph-structured data. Despite its remarkable success, existing GCL methods highly rely on an augmentation scheme to learn the…

Machine Learning · Computer Science 2022-06-07 Haonan Wang , Jieyu Zhang , Qi Zhu , Wei Huang

Graph Anomaly Detection (GAD) aims to identify nodes that deviate from the majority within a graph, playing a crucial role in applications such as social networks and e-commerce. Despite the current advancements in deep learning-based GAD,…

Machine Learning · Computer Science 2025-08-20 Yunfeng Zhao , Yixin Liu , Shiyuan Li , Qingfeng Chen , Yu Zheng , Shirui Pan

Graph representation learning received increasing attentions in recent years. Most of existing methods ignore the complexity of the graph structures and restrict graphs in a single constant-curvature representation space, which is only…

Machine Learning · Computer Science 2021-12-13 Li Sun , Zhongbao Zhang , Junda Ye , Hao Peng , Jiawei Zhang , Sen Su , Philip S. Yu

Graph representation learning has emerged as a powerful tool for preserving graph topology when mapping nodes to vector representations, enabling various downstream tasks such as node classification and community detection. However, most…

Machine Learning · Computer Science 2025-03-21 Kaizhe Fan , Quanjun Li

Recent works demonstrate that GNN models are vulnerable to adversarial attacks, which refer to imperceptible perturbation on the graph structure and node features. Among various GNN models, graph contrastive learning (GCL) based methods…

Machine Learning · Computer Science 2023-06-27 Yeonjun In , Kanghoon Yoon , Chanyoung Park

In recent years, graph neural networks (GNNs) have emerged as a successful tool in a variety of graph-related applications. However, the performance of GNNs can be deteriorated when noisy connections occur in the original graph structures;…

Machine Learning · Computer Science 2022-01-19 Yixin Liu , Yu Zheng , Daokun Zhang , Hongxu Chen , Hao Peng , Shirui Pan

Graph Neural Networks (GNNs) are recognized as potent tools for processing real-world data organized in graph structures. Especially inductive GNNs, which allow for the processing of graph-structured data without relying on predefined graph…

Machine Learning · Computer Science 2024-11-21 Marcin Podhajski , Jan Dubiński , Franziska Boenisch , Adam Dziedzic , Agnieszka Pregowska , Tomasz P. Michalak

Graphical models capture relations between entities in a wide range of applications including social networks, biology, and natural language processing, among others. Graph neural networks (GNN) are neural models that operate over graphs,…

Machine Learning · Computer Science 2024-02-08 Xu Zheng , Farhad Shirani , Tianchun Wang , Shouwei Gao , Wenqian Dong , Wei Cheng , Dongsheng Luo

Recent studies often exploit Graph Convolutional Network (GCN) to model label dependencies to improve recognition accuracy for multi-label image recognition. However, constructing a graph by counting the label co-occurrence possibilities of…

Computer Vision and Pattern Recognition · Computer Science 2020-12-08 Jin Ye , Junjun He , Xiaojiang Peng , Wenhao Wu , Yu Qiao

The graph contrastive learning (GCL) framework has gained remarkable achievements in graph representation learning. However, similar to graph neural networks (GNNs), GCL models are susceptible to graph structural attacks. As an unsupervised…

Machine Learning · Computer Science 2025-08-25 Yulin Zhu , Xing Ai , Yevgeniy Vorobeychik , Kai Zhou

Graph Neural Networks (GNNs) have garnered substantial attention due to their remarkable capability in learning graph representations. However, real-world graphs often exhibit substantial noise and incompleteness, which severely degrades…

Machine Learning · Computer Science 2025-06-30 Tao Liu , Longlong Lin , Yunfeng Yu , Xi Ou , Youan Zhang , Zhiqiu Ye , Tao Jia

We introduce Graph Kolmogorov-Arnold Networks (GKAN), an innovative neural network architecture that extends the principles of the recently proposed Kolmogorov-Arnold Networks (KAN) to graph-structured data. By adopting the unique…

Machine Learning · Computer Science 2024-06-11 Mehrdad Kiamari , Mohammad Kiamari , Bhaskar Krishnamachari
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