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Recently emerged Topological Deep Learning (TDL) methods aim to extend current Graph Neural Networks (GNN) by naturally processing higher-order interactions, going beyond the pairwise relations and local neighborhoods defined by graph…

Graph neural network (GNN)'s success in graph classification is closely related to the Weisfeiler-Lehman (1-WL) algorithm. By iteratively aggregating neighboring node features to a center node, both 1-WL and GNN obtain a node representation…

Machine Learning · Computer Science 2021-10-27 Muhan Zhang , Pan Li

The success of graph neural networks (GNNs) provokes the question about explainability: ``Which fraction of the input graph is the most determinant of the prediction?'' Particularly, parametric explainers prevail in existing approaches…

Machine Learning · Computer Science 2023-11-02 Fang Wu , Siyuan Li , Xurui Jin , Yinghui Jiang , Dragomir Radev , Zhangming Niu , Stan Z. Li

Graph Neural Networks (GNNs) excel in graph-based learning tasks, but their complex, non-linear operations often render them as opaque "black boxes". This opacity hinders user trust, complicates debugging, bias detection, and adoption in…

Artificial Intelligence · Computer Science 2025-11-18 TC Singh , Sougata Mukherjea

Subgraph classification is an emerging field in graph representation learning where the task is to classify a group of nodes (i.e., a subgraph) within a graph. Subgraph classification has applications such as predicting the cellular…

Machine Learning · Computer Science 2023-04-19 Shweta Ann Jacob , Paul Louis , Amirali Salehi-Abari

Graph neural networks have been widely used on modeling graph data, achieving impressive results on node classification and link prediction tasks. Yet, obtaining an accurate representation for a graph further requires a pooling function…

Machine Learning · Computer Science 2021-06-29 Jinheon Baek , Minki Kang , Sung Ju Hwang

Graph matching can be formalized as a combinatorial optimization problem, where there are corresponding relationships between pairs of nodes that can be represented as edges. This problem becomes challenging when there are potential…

Computer Vision and Pattern Recognition · Computer Science 2023-01-06 Dongdong Chen , Yuxing Dai , Lichi Zhang , Zhihong Zhang

Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating…

Machine Learning · Computer Science 2019-11-15 Rex Ying , Dylan Bourgeois , Jiaxuan You , Marinka Zitnik , Jure Leskovec

Deep neural networks have enabled researchers to create powerful generalized frameworks, such as transformers, that can be used to solve well-studied problems in various application domains, such as text and image. However, such generalized…

Machine Learning · Computer Science 2025-02-12 Rudrajit Dawn , Madhusudan Ghosh , Partha Basuchowdhuri , Sudip Kumar Naskar

In the last decade or so, we have witnessed deep learning reinvigorating the machine learning field. It has solved many problems in the domains of computer vision, speech recognition, natural language processing, and various other tasks…

Machine Learning · Computer Science 2021-09-09 Lilapati Waikhom , Ripon Patgiri

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

While kernel methods and Graph Neural Networks offer complementary strengths, integrating the two has posed challenges in efficiency and scalability. The Graph Neural Tangent Kernel provides a theoretical bridge by interpreting GNNs through…

Machine Learning · Computer Science 2025-07-17 Lin Wang , Shijie Wang , Sirui Huang , Qing Li

Graph Neural Networks (GNNs) draw their strength from explicitly modeling the topological information of structured data. However, existing GNNs suffer from limited capability in capturing the hierarchical graph representation which plays…

Machine Learning · Computer Science 2021-03-30 Jinyu Yang , Peilin Zhao , Yu Rong , Chaochao Yan , Chunyuan Li , Hehuan Ma , Junzhou Huang

Convolutional neural network (CNN) architectures utilize downsampling layers, which restrict the subsequent layers to learn spatially invariant features while reducing computational costs. However, such a downsampling operation makes it…

Computer Vision and Pattern Recognition · Computer Science 2018-04-02 Akito Takeki , Daiki Ikami , Go Irie , Kiyoharu Aizawa

Recent years have witnessed the emergence and flourishing of hierarchical graph pooling neural networks (HGPNNs) which are effective graph representation learning approaches for graph level tasks such as graph classification. However,…

Machine Learning · Computer Science 2020-12-14 Haoteng Tang , Guixiang Ma , Lifang He , Heng Huang , Liang Zhan

Graph neural networks (GNN) have been proven to be mature enough for handling graph-structured data on node-level graph representation learning tasks. However, the graph pooling technique for learning expressive graph-level representation…

Machine Learning · Computer Science 2021-04-14 Ning Liu , Songlei Jian , Dongsheng Li , Yiming Zhang , Zhiquan Lai , Hongzuo Xu

Convolutional graph networks are used in particle physics for effective event reconstructions and classifications. However, their performances can be limited by the considerable amount of sensors used in modern particle detectors if applied…

High Energy Physics - Experiment · Physics 2022-10-10 M. Bachlechner , T. Birkenfeld , P. Soldin , A. Stahl , C. Wiebusch

Graph Neural Network (GNN) has been demonstrated its effectiveness in dealing with non-Euclidean structural data. Both spatial-based and spectral-based GNNs are relying on adjacency matrix to guide message passing among neighbors during…

Machine Learning · Computer Science 2021-06-09 Yang Hu , Haoxuan You , Zhecan Wang , Zhicheng Wang , Erjin Zhou , Yue Gao

Graph Neural Networks (GNNs) have achieved significant success across various applications. However, their complex structures and inner workings can be challenging for non-AI experts to understand. To address this issue, this study presents…

Human-Computer Interaction · Computer Science 2025-12-18 Yilin Lu , Chongwei Chen , Yuxin Chen , Kexin Huang , Marinka Zitnik , Qianwen Wang

Two architectures that generalize convolutional neural networks (CNNs) for the processing of signals supported on graphs are introduced. We start with the selection graph neural network (GNN), which replaces linear time invariant filters…

Signal Processing · Electrical Eng. & Systems 2019-01-30 Fernando Gama , Antonio G. Marques , Geert Leus , Alejandro Ribeiro