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Predicting molecular properties (e.g., atomization energy) is an essential issue in quantum chemistry, which could speed up much research progress, such as drug designing and substance discovery. Traditional studies based on density…

Computational Physics · Physics 2019-08-20 Chengqiang Lu , Qi Liu , Chao Wang , Zhenya Huang , Peize Lin , Lixin He

Graph neural networks (GNNs) have achieved superior performance on node classification tasks in the last few years. Commonly, this is framed in a transductive semi-supervised learning setup wherein the entire graph, including the target…

Machine Learning · Computer Science 2021-10-11 Artun Bayer , Arindam Chowdhury , Santiago Segarra

Modern histopathological image analysis relies on the segmentation of cell structures to derive quantitative metrics required in biomedical research and clinical diagnostics. State-of-the-art deep learning approaches predominantly apply…

Image and Video Processing · Electrical Eng. & Systems 2022-01-12 Yoav Alon , Huiyu Zhou

Graph convolutional networks (GCNs) are a family of neural network models that perform inference on graph data by interleaving vertex-wise operations and message-passing exchanges across nodes. Concerning the latter, two key questions…

Machine Learning · Computer Science 2020-09-29 Indro Spinelli , Simone Scardapane , Aurelio Uncini

Graph neural networks (GNNs) have been widely adopted in engineering applications such as social network analysis, chemical research and computer vision. However, their efficacy is severely compromised by the inherent homophily assumption,…

Machine Learning · Computer Science 2026-04-13 Yi Luo , Xu Sun , Guangchun Luo , Aiguo Chen

Graph Convolutional Neural Networks (GCNNs) are the most recent exciting advancement in deep learning field and their applications are quickly spreading in multi-cross-domains including bioinformatics, chemoinformatics, social networks,…

Machine Learning · Statistics 2018-08-28 Saurabh Verma , Zhi-Li Zhang

The escalating complexity of network threats and the inherent class imbalance in traffic data present formidable challenges for modern Intrusion Detection Systems (IDS). While Graph Neural Networks (GNNs) excel in modeling topological…

Machine Learning · Computer Science 2026-04-15 Tianxiang Xu , Zhichao Wen , Xinyu Zhao , Qi Hu , Yan Li , Chang Liu

Existing knowledge distillation methods focus on convolutional neural networks (CNNs), where the input samples like images lie in a grid domain, and have largely overlooked graph convolutional networks (GCN) that handle non-grid data. In…

Computer Vision and Pattern Recognition · Computer Science 2021-01-12 Yiding Yang , Jiayan Qiu , Mingli Song , Dacheng Tao , Xinchao Wang

This paper presents a methodology for image classification using Graph Neural Network (GNN) models. We transform the input images into region adjacency graphs (RAGs), in which regions are superpixels and edges connect neighboring…

Machine Learning · Computer Science 2020-11-17 Pedro H. C. Avelar , Anderson R. Tavares , Thiago L. T. da Silveira , Cláudio R. Jung , Luís C. Lamb

Graph Convolutional Networks (GCNs) are increasingly adopted in large-scale graph-based recommender systems. Training GCN requires the minibatch generator traversing graphs and sampling the sparsely located neighboring nodes to obtain their…

Machine Learning · Computer Science 2021-08-17 Seung Won Min , Kun Wu , Sitao Huang , Mert Hidayetoğlu , Jinjun Xiong , Eiman Ebrahimi , Deming Chen , Wen-mei Hwu

Recently, text classification model based on graph neural network (GNN) has attracted more and more attention. Most of these models adopt a similar network paradigm, that is, using pre-training node embedding initialization and two-layer…

Computation and Language · Computer Science 2023-01-26 Jiayuan Chen , Boyu Zhang , Yinfei Xu , Meng Wang

Graphs can model real-world, complex systems by representing entities and their interactions in terms of nodes and edges. To better exploit the graph structure, graph neural networks have been developed, which learn entity and edge…

Machine Learning · Computer Science 2022-06-06 Tong Liu , Yushan Liu , Marcel Hildebrandt , Mitchell Joblin , Hang Li , Volker Tresp

The growing use of deep learning necessitates efficient network design and deployment, making neural predictors vital for estimating attributes such as accuracy and latency. Recently, Graph Neural Networks (GNNs) and transformers have shown…

Machine Learning · Computer Science 2025-07-02 Ruihan Xu , Haokui Zhang , Yaowei Wang , Wei Zeng , Shiliang Zhang

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

Graph neural networks (GNN) are powerful models for many graph-structured tasks. Existing models often assume that the complete structure of the graph is available during training. In practice, however, graph-structured data is usually…

Machine Learning · Computer Science 2022-03-29 Chen Wang , Yuheng Qiu , Dasong Gao , Sebastian Scherer

The task of graph node classification is often approached by utilizing a local Graph Neural Network (GNN), that learns only local information from the node input features and their adjacency. In this paper, we propose to improve the…

Machine Learning · Computer Science 2024-06-18 Moshe Eliasof , Eran Treister

Graph Neural Network (GNN) is a powerful model to learn representations and make predictions on graph data. Existing efforts on GNN have largely defined the graph convolution as a weighted sum of the features of the connected nodes to form…

Machine Learning · Computer Science 2020-06-02 Hongmin Zhu , Fuli Feng , Xiangnan He , Xiang Wang , Yan Li , Kai Zheng , Yongdong Zhang

Graph neural networks (GNNs) have significantly improved the representation power for graph-structured data. Despite of the recent success of GNNs, the graph convolution in most GNNs have two limitations. Since the graph convolution is…

Machine Learning · Computer Science 2021-12-30 Jinyoung Park , Sungdong Yoo , Jihwan Park , Hyunwoo J. Kim

Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such…

Machine Learning · Computer Science 2020-06-22 Luca Franceschi , Mathias Niepert , Massimiliano Pontil , Xiao He

Graph neural networks (GNNs) have gained traction over the past few years for their superior performance in numerous machine learning tasks. Graph Convolutional Neural Networks (GCN) are a common variant of GNNs that are known to have high…

Machine Learning · Computer Science 2022-07-06 Sannat Singh Bhasin , Vaibhav Holani , Divij Sanjanwala
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