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We introduce Attention Graphs, a new tool for mechanistic interpretability of Graph Neural Networks (GNNs) and Graph Transformers based on the mathematical equivalence between message passing in GNNs and the self-attention mechanism in…

Machine Learning · Computer Science 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

Graph neural networks are recognized for their strong performance across various applications, with the backpropagation algorithm playing a central role in the development of most GNN models. However, despite its effectiveness, BP has…

Machine Learning · Computer Science 2024-11-06 Gongpei Zhao , Tao Wang , Congyan Lang , Yi Jin , Yidong Li , Haibin Ling

Graph neural networks (GNNs) model nonlinear representations in graph data with applications in distributed agent coordination, control, and planning among others. Current GNN architectures assume ideal scenarios and ignore link…

Signal Processing · Electrical Eng. & Systems 2021-09-01 Zhan Gao , Elvin Isufi , Alejandro Ribeiro

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Machine Learning · Computer Science 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

Graph Neural Networks (GNNs) have emerged as a notorious alternative to address learning problems dealing with non-Euclidean datasets. However, although most works assume that the graph is perfectly known, the observed topology is prone to…

Machine Learning · Computer Science 2023-12-12 Victor M. Tenorio , Samuel Rey , Antonio G. Marques

This paper studies semi-supervised graph classification, which is an important problem with various applications in social network analysis and bioinformatics. This problem is typically solved by using graph neural networks (GNNs), which…

Machine Learning · Computer Science 2022-05-24 Wei Ju , Junwei Yang , Meng Qu , Weiping Song , Jianhao Shen , Ming Zhang

The success of graph neural networks on graph-based web mining highly relies on abundant human-annotated data, which is laborious to obtain in practice. When only few labeled nodes are available, how to improve their robustness is a key to…

Machine Learning · Computer Science 2022-12-13 Kaize Ding , Elnaz Nouri , Guoqing Zheng , Huan Liu , Ryen White

In recent years, various deep learning architectures have been proposed to solve complex challenges (e.g. spatial dependency, temporal dependency) in traffic domain, which have achieved satisfactory performance. These architectures are…

Signal Processing · Electrical Eng. & Systems 2021-01-01 Jiexia Ye , Juanjuan Zhao , Kejiang Ye , Chengzhong Xu

Graph Neural Networks (GNNs) have gained significant attention in recent years due to their ability to learn representations of graph-structured data. Two common methods for training GNNs are mini-batch training and full-graph training.…

Machine Learning · Computer Science 2024-12-24 Saurabh Bajaj , Hojae Son , Juelin Liu , Hui Guan , Marco Serafini

Graph Neural Networks (GNNs), a generalization of deep neural networks on graph data have been widely used in various domains, ranging from drug discovery to recommender systems. However, GNNs on such applications are limited when there are…

Machine Learning · Computer Science 2021-11-09 Debmalya Mandal , Sourav Medya , Brian Uzzi , Charu Aggarwal

Graph Neural Nets (GNNs) have received increasing attentions, partially due to their superior performance in many node and graph classification tasks. However, there is a lack of understanding on what they are learning and how sophisticated…

Machine Learning · Computer Science 2020-06-11 Ting Chen , Song Bian , Yizhou Sun

Graph neural networks have become the standard approach for dealing with learning problems on graphs. Among the different variants of graph neural networks, graph attention networks (GATs) have been applied with great success to different…

Machine Learning · Computer Science 2023-07-18 Michail Chatzianastasis , Giannis Nikolentzos , Michalis Vazirgiannis

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node…

Machine Learning · Computer Science 2025-07-08 Eugenio Borzone , Leandro Di Persia , Matias Gerard

Graph Neural Networks (GNNs) have demonstrated remarkable success in various applications, yet they often struggle to capture long-range dependencies (LRD) effectively. This paper introduces GraphMinNet, a novel GNN architecture that…

Machine Learning · Computer Science 2025-02-04 Md Atik Ahamed , Andrew Cheng , Qiang Ye , Qiang Cheng

Graph Transformer (GT), as a special type of Graph Neural Networks (GNNs), utilizes multi-head attention to facilitate high-order message passing. However, this also imposes several limitations in node classification applications: 1) nodes…

Machine Learning · Computer Science 2024-10-16 Jiajun Zhou , Xuanze Chen , Chenxuan Xie , Yu Shanqing , Qi Xuan , Xiaoniu Yang

Machine learning frameworks such as graph neural networks typically rely on a given, fixed graph to exploit relational inductive biases and thus effectively learn from network data. However, when said graphs are (partially) unobserved,…

Machine Learning · Computer Science 2022-05-20 Max Wasserman , Saurabh Sihag , Gonzalo Mateos , Alejandro Ribeiro

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

The task of link prediction aims to solve the problem of incomplete knowledge caused by the difficulty of collecting facts from the real world. GCNs-based models are widely applied to solve link prediction problems due to their…

Artificial Intelligence · Computer Science 2022-09-07 Shuanglong Yao , Dechang Pi , Junfu Chen , Yufei Liu , Zhiyuan Wu

Graph neural networks (GNNs) have been demonstrated as a powerful tool for analyzing non-Euclidean graph data. However, the lack of efficient distributed graph learning systems severely hinders applications of GNNs, especially when graphs…

Machine Learning · Computer Science 2023-01-18 Yongchao Liu , Houyi Li , Guowei Zhang , Xintan Zeng , Yongyong Li , Bin Huang , Peng Zhang , Zhao Li , Xiaowei Zhu , Changhua He , Wenguang Chen

Interpretable graph learning is in need as many scientific applications depend on learning models to collect insights from graph-structured data. Previous works mostly focused on using post-hoc approaches to interpret pre-trained models…

Machine Learning · Computer Science 2022-06-20 Siqi Miao , Miaoyuan Liu , Pan Li