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Heterogeneous graphs, which contain nodes and edges of multiple types, are prevalent in various domains, including bibliographic networks, social media, and knowledge graphs. As a fundamental task in analyzing heterogeneous graphs,…

Information Retrieval · Computer Science 2023-05-02 Linhao Luo , Yixiang Fang , Moli Lu , Xin Cao , Xiaofeng Zhang , Wenjie Zhang

In this contribution, we provide a comprehensive evaluation of graph neural networks applied to Boolean satisfiability problems, accompanied by an intuitive explanation of the mechanisms enabling the model to generalize to different…

Machine Learning · Computer Science 2025-04-03 David Mojžíšek , Jan Hůla , Ziwei Li , Ziyu Zhou , Mikoláš Janota

Graph neural networks (GNNs) learn the representation of graph-structured data, and their expressiveness can be further enhanced by inferring node relations for propagation. Attention-based GNNs infer neighbor importance to manipulate the…

Machine Learning · Computer Science 2023-06-06 Soo Yong Lee , Fanchen Bu , Jaemin Yoo , Kijung Shin

Graph neural networks get significant attention for graph representation and classification in machine learning community. Attention mechanism applied on the neighborhood of a node improves the performance of graph neural networks.…

Machine Learning · Computer Science 2020-07-22 Sambaran Bandyopadhyay , Manasvi Aggarwal , M. Narasimha Murty

Link prediction is a key aspect of graph machine learning, with applications as diverse as disease prediction, social network recommendations, and drug discovery. It involves predicting new links that may form between network nodes. Despite…

Machine Learning · Computer Science 2023-09-12 Haohui Lu , Shahadat Uddin

Detecting unusual patterns in graph data is a crucial task in data mining. However, existing methods face challenges in consistently achieving satisfactory performance and often lack interpretability, which hinders our understanding of…

Machine Learning · Computer Science 2024-06-28 Yifei Yang , Peng Wang , Xiaofan He , Dongmian Zou

Due to the cost of labeling nodes, classifying a node in a sparsely labeled graph while maintaining the prediction accuracy deserves attention. The key point is how the algorithm learns sufficient information from more neighbors with…

Machine Learning · Computer Science 2020-04-10 Chaojie Ji , Ruxin Wang , Rongxiang Zhu , Yunpeng Cai , Hongyan Wu

We develop graph-based methods for semi-supervised learning based on label propagation on a data similarity graph. When data is abundant or arrive in a stream, the problems of computation and data storage arise for any graph-based method.…

Machine Learning · Computer Science 2026-05-06 Michal Valko

\Graph similarity computation is an essential task in many real-world graph-related applications such as retrieving the similar drugs given a query chemical compound or finding the user's potential friends from the social network database.…

Machine Learning · Computer Science 2024-12-18 Jingjing Wang , Hongjie Zhu , Haoran Xie , Fu Lee Wang , Xiaoliang Xu , Yuxiang Wang

Finding dense subgraphs of a large network is a fundamental problem in graph mining that has been studied extensively both for its theoretical richness and its many practical applications over the last five decades. However, most existing…

Social and Information Networks · Computer Science 2023-10-10 Ali Behrouz , Farnoosh Hashemi

Graph Neural Networks have achieved remarkable accuracy in semi-supervised node classification tasks. However, these results lack reliable uncertainty estimates. Conformal prediction methods provide a theoretical guarantee for node…

Machine Learning · Computer Science 2025-01-07 Jianqing Song , Jianguo Huang , Wenyu Jiang , Baoming Zhang , Shuangjie Li , Chongjun Wang

Graph Neural Networks (GNNs) have become mainstream methods for solving the semi-supervised node classification problem. However, due to the uneven location distribution of labeled nodes in the graph, labeled nodes are only accessible to a…

Machine Learning · Computer Science 2023-12-22 Weigang Lu , Ziyu Guan , Wei Zhao , Yaming Yang , Long Jin

Many real-world data can be represented as heterogeneous graphs with different types of nodes and connections. Heterogeneous graph neural network model aims to embed nodes or subgraphs into low-dimensional vector space for various…

Artificial Intelligence · Computer Science 2024-12-24 Xinjun Cai , Jiaxing Shang , Fei Hao , Dajiang Liu , Linjiang Zheng

Graph neural networks (GNNs) have emerged as a powerful model to capture critical graph patterns. Instead of treating them as black boxes in an end-to-end fashion, attempts are arising to explain the model behavior. Existing works mainly…

Machine Learning · Computer Science 2024-02-22 Yi Nian , Yurui Chang , Wei Jin , Lu Lin

Molecular activity prediction is critical in drug design. Machine learning techniques such as kernel methods and random forests have been successful for this task. These models require fixed-size feature vectors as input while the molecules…

Machine Learning · Computer Science 2018-01-30 Trang Pham , Truyen Tran , Svetha Venkatesh

Existing Graph Neural Networks (GNNs) follow the message-passing mechanism that conducts information interaction among nodes iteratively. While considerable progress has been made, such node interaction paradigms still have the following…

Machine Learning · Computer Science 2023-04-14 Jie Chen , Zilong Li , Yin Zhu , Junping Zhang , Jian Pu

Dynamic graph learning (DGL) aims to learn informative and temporally-evolving node embeddings to support downstream tasks such as link prediction. A fundamental challenge in DGL lies in effectively modeling both the temporal dynamics and…

Social and Information Networks · Computer Science 2025-06-10 Ling Wang

Real-world multimodal data usually exhibit complex structural relationships beyond traditional one-to-one mappings like image-caption pairs. Entities across modalities interact in intricate ways, with images and text forming diverse…

Machine Learning · Computer Science 2025-10-21 Xuying Ning , Dongqi Fu , Tianxin Wei , Wujiang Xu , Jingrui He

Graph neural networks (GNNs) learn to represent nodes by aggregating information from their neighbors. As GNNs increase in depth, their receptive field grows exponentially, leading to high memory costs. Several existing methods address this…

Machine Learning · Computer Science 2025-07-16 Taraneh Younesian , Daniel Daza , Emile van Krieken , Thiviyan Thanapalasingam , Peter Bloem

Traditional graph neural networks (GNNs) lack scalability and lose individual node characteristics due to over-smoothing, especially in the case of deeper networks. This results in sub-optimal feature representation, affecting the model's…

Machine Learning · Computer Science 2025-12-09 Shikhar Vashistha , Neetesh Kumar