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Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

3D Geometric Graph Neural Networks (GNNs) have emerged as transformative tools for modeling molecular data. Despite their predictive power, these models often suffer from limited interpretability, raising concerns for scientific…

Machine Learning · Computer Science 2025-05-06 Jingxiang Qu , Wenhan Gao , Jiaxing Zhang , Xufeng Liu , Hua Wei , Haibin Ling , Yi Liu

Knowledge graph (KG) link prediction aims to infer new facts based on existing facts in the KG. Recent studies have shown that using the graph neighborhood of a node via graph neural networks (GNNs) provides more useful information compared…

Computation and Language · Computer Science 2024-02-15 Vardaan Pahuja , Boshi Wang , Hugo Latapie , Jayanth Srinivasa , Yu Su

Deep learning models are favored in many research and industry areas and have reached the accuracy of approximating or even surpassing human level. However they've long been considered by researchers as black-box models for their…

Machine Learning · Computer Science 2020-10-16 Xiaojian Wang , Jingyuan Wang , Ke Tang

Graph Neural Networks (GNNs) have achieved state-of-the-art performance in solving graph classification tasks. However, most GNN architectures aggregate information from all nodes and edges in a graph, regardless of their relevance to the…

Machine Learning · Statistics 2024-04-19 Pablo Sanchez-Martin , Kinaan Aamir Khan , Isabel Valera

Graph Neural Networks (GNNs) have shown success in learning from graph structured data containing node/edge feature information, with application to social networks, recommendation, fraud detection and knowledge graph reasoning. In this…

Machine Learning · Computer Science 2021-11-24 Xiang Song , Runjie Ma , Jiahang Li , Muhan Zhang , David Paul Wipf

Lots of learning tasks require dealing with graph data which contains rich relation information among elements. Modeling physics systems, learning molecular fingerprints, predicting protein interface, and classifying diseases demand a model…

Machine Learning · Computer Science 2021-10-07 Jie Zhou , Ganqu Cui , Shengding Hu , Zhengyan Zhang , Cheng Yang , Zhiyuan Liu , Lifeng Wang , Changcheng Li , Maosong Sun

As a special field in deep learning, Graph Neural Networks (GNNs) focus on extracting intrinsic network features and have drawn unprecedented popularity in both academia and industry. Most of the state-of-the-art GNN models offer…

Machine Learning · Computer Science 2021-08-17 Qinyi Zhu , Yiou Xiao

Recently, researches have explored the graph neural network (GNN) techniques on text classification, since GNN does well in handling complex structures and preserving global information. However, previous methods based on GNN are mainly…

Computation and Language · Computer Science 2019-10-09 Lianzhe Huang , Dehong Ma , Sujian Li , Xiaodong Zhang , Houfeng WANG

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Graph unlearning, which involves deleting graph elements such as nodes, node labels, and relationships from a trained graph neural network (GNN) model, is crucial for real-world applications where data elements may become irrelevant,…

Machine Learning · Computer Science 2023-02-28 Jiali Cheng , George Dasoulas , Huan He , Chirag Agarwal , Marinka Zitnik

In this paper, we explore a novel model reusing task tailored for graph neural networks (GNNs), termed as "deep graph reprogramming". We strive to reprogram a pre-trained GNN, without amending raw node features nor model parameters, to…

Computer Vision and Pattern Recognition · Computer Science 2023-05-01 Yongcheng Jing , Chongbin Yuan , Li Ju , Yiding Yang , Xinchao Wang , Dacheng Tao

Graph Neural Networks (GNNs) have gained popularity in numerous domains, yet they are vulnerable to backdoor attacks that can compromise their performance and ethical application. The detection of these attacks is crucial for maintaining…

Machine Learning · Computer Science 2026-05-12 Jane Downer , Ren Wang , Binghui Wang

To improve the robustness of graph neural networks (GNN), graph structure learning (GSL) has attracted great interest due to the pervasiveness of noise in graph data. Many approaches have been proposed for GSL to jointly learn a clean graph…

Machine Learning · Computer Science 2023-07-06 Shaogao Lv , Gang Wen , Shiyu Liu , Linsen Wei , Ming Li

Representations in the hidden layers of Deep Neural Networks (DNN) are often hard to interpret since it is difficult to project them into an interpretable domain. Graph Convolutional Networks (GCN) allow this projection, but existing…

Computation and Language · Computer Science 2019-09-25 Robert Schwarzenberg , Marc Hübner , David Harbecke , Christoph Alt , Leonhard Hennig

Advances in Large Language Models (LLMs) have led to remarkable capabilities, yet their inner mechanisms remain largely unknown. To understand these models, we need to unravel the functions of individual neurons and their contribution to…

Machine Learning · Computer Science 2023-06-01 Alex Foote , Neel Nanda , Esben Kran , Ioannis Konstas , Shay Cohen , Fazl Barez

Model compression aims to deploy deep neural networks (DNN) on mobile devices with limited computing and storage resources. However, most of the existing model compression methods rely on manually defined rules, which require domain…

Computer Vision and Pattern Recognition · Computer Science 2021-11-10 Sixing Yu , Arya Mazaheri , Ali Jannesari

The Graph Neural Network (GNN) has been widely used for graph data representation. However, the existing researches only consider the ideal balanced dataset, and the imbalanced dataset is rarely considered. Traditional methods such as…

Machine Learning · Computer Science 2022-05-10 S. Shi , Kai Qiao , Shuai Yang , L. Wang , J. Chen , Bin Yan

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
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