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Recent advancements in graph representation learning have led to the emergence of condensed encodings that capture the main properties of a graph. However, even though these abstract representations are powerful for downstream tasks, they…

机器学习 · 计算机科学 2020-02-21 Cristian Bodnar , Cătălina Cangea , Pietro Liò

Graph Neural Networks have emerged as a useful tool to learn on the data by applying additional constraints based on the graph structure. These graphs are often created with assumed intrinsic relations between the entities. In recent years,…

机器学习 · 统计学 2021-05-18 Sunil Kumar Maurya , Xin Liu , Tsuyoshi Murata

Graph classification is an important problem with applications across many domains, like chemistry and bioinformatics, for which graph neural networks (GNNs) have been state-of-the-art (SOTA) methods. GNNs are designed to learn node-level…

机器学习 · 计算机科学 2021-08-25 Lanning Wei , Huan Zhao , Quanming Yao , Zhiqiang He

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…

机器学习 · 计算机科学 2022-03-29 Chen Wang , Yuheng Qiu , Dasong Gao , Sebastian Scherer

Learning graph-structured data with graph neural networks (GNNs) has been recently emerging as an important field because of its wide applicability in bioinformatics, chemoinformatics, social network analysis and data mining. Recent GNN…

机器学习 · 计算机科学 2021-12-16 Cheolhyeong Kim , Haeseong Moon , Hyung Ju Hwang

Graph neural networks (GNNs) are widely used as surrogates for costly experiments and first-principles simulations to study the behavior of compounds at atomistic scale, and their architectural complexity is constantly increasing to enable…

机器学习 · 计算机科学 2026-05-04 Arindam Chowdhury , Massimiliano Lupo Pasini

Graph-structured data consisting of objects (i.e., nodes) and relationships among objects (i.e., edges) are ubiquitous. Graph-level learning is a matter of studying a collection of graphs instead of a single graph. Traditional graph-level…

机器学习 · 计算机科学 2022-06-01 Ge Zhang , Jia Wu , Jian Yang , Shan Xue , Wenbin Hu , Chuan Zhou , Hao Peng , Quan Z. Sheng , Charu Aggarwal

Graph-structured data are pervasive across domains including social networks, biological networks, and knowledge graphs. Due to their non-Euclidean nature, such data pose significant challenges to conventional machine learning methods. This…

机器学习 · 计算机科学 2025-07-29 Yihan Wang , Jianing Zhao

In Graph Neural Networks (GNNs), hierarchical pooling operators generate local summaries of the data by coarsening the graph structure and the vertex features. While considerable attention has been devoted to analyzing the expressive power…

机器学习 · 计算机科学 2023-10-16 Filippo Maria Bianchi , Veronica Lachi

Interpreting graph neural networks (GNNs) is difficult because message passing mixes signals and internal channels rarely align with human concepts. We study superposition, the sharing of directions by multiple features, directly in the…

机器学习 · 计算机科学 2026-01-19 Lukas Pertl , Han Xuanyuan , Pietro Liò

Graph Neural Networks (GNNs) are powerful techniques in representation learning for graphs and have been increasingly deployed in a multitude of different applications that involve node- and graph-wise tasks. Most existing studies solve…

人工智能 · 计算机科学 2022-03-21 Zhiqiang Zhong , Cheng-Te Li , Jun Pang

Graph Neural Networks (GNNs) have revolutionized the field of graph learning by learning expressive graph representations from massive graph data. As a common pattern to train powerful GNNs, the "pre-training, adaptation" scheme first…

机器学习 · 计算机科学 2025-10-28 Xingbo Fu , Zhenyu Lei , Zihan Chen , Binchi Zhang , Chuxu Zhang , Jundong Li

Graph Neural Networks (GNNs) often assume strong homophily for graph classification, seldom considering heterophily, which means connected nodes tend to have different class labels and dissimilar features. In real-world scenarios, graphs…

机器学习 · 计算机科学 2024-05-10 Jiayi Yang , Sourav Medya , Wei Ye

Graph neural networks (GNNs) extends the functionality of traditional neural networks to graph-structured data. Similar to CNNs, an optimized design of graph convolution and pooling is key to success. Borrowing ideas from physics, we…

机器学习 · 计算机科学 2022-01-12 Zheng Ma , Junyu Xuan , Yu Guang Wang , Ming Li , Pietro Lio

Graph neural networks (GNNs) are a powerful tool to learn representations on graphs by iteratively aggregating features from node neighbourhoods. Many variant models have been proposed, but there is limited understanding on both how to…

机器学习 · 计算机科学 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

While convolutional neural nets (CNNs) have achieved remarkable performance for a wide range of inverse imaging applications, the filter coefficients are computed in a purely data-driven manner and are not explainable. Inspired by an…

图像与视频处理 · 电气工程与系统科学 2020-02-18 Weng-tai Su , Gene Cheung , Richard Wildes , Chia-Wen Lin

Graph Neural Networks (GNNs) are an emerging research field. This specialized Deep Neural Network (DNN) architecture is capable of processing graph structured data and bridges the gap between graph processing and Deep Learning (DL). As…

分布式、并行与集群计算 · 计算机科学 2023-05-24 Jana Vatter , Ruben Mayer , Hans-Arno Jacobsen

Graph Neural Networks (GNNs) have achieved state-of-the-art results on many graph analysis tasks such as node classification and link prediction. However, important unsupervised problems on graphs, such as graph clustering, have proved more…

机器学习 · 计算机科学 2023-06-02 Anton Tsitsulin , John Palowitch , Bryan Perozzi , Emmanuel Müller

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

机器学习 · 统计学 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

We introduce a novel variant of GNN for particle tracking called Hierarchical Graph Neural Network (HGNN). The architecture creates a set of higher-level representations which correspond to tracks and assigns spacepoints to these tracks,…

高能物理 - 实验 · 物理学 2023-03-06 Ryan Liu , Paolo Calafiura , Steven Farrell , Xiangyang Ju , Daniel Thomas Murnane , Tuan Minh Pham