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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

Graph neural networks (GNNs) have recently grown in popularity in the field of artificial intelligence (AI) due to their unique ability to ingest relatively unstructured data types as input data. Although some elements of the GNN…

Machine Learning · Computer Science 2021-12-28 Isaac Ronald Ward , Jack Joyner , Casey Lickfold , Yulan Guo , Mohammed Bennamoun

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

Despite the recent success of graph neural networks (GNN), common architectures often exhibit significant limitations, including sensitivity to oversmoothing, long-range dependencies, and spurious edges, e.g., as can occur as a result of…

Machine Learning · Computer Science 2021-12-06 Yongyi Yang , Tang Liu , Yangkun Wang , Jinjing Zhou , Quan Gan , Zhewei Wei , Zheng Zhang , Zengfeng Huang , David Wipf

Graph neural networks (GNNs) are a class of deep models that operate on data with arbitrary topology represented as graphs. We introduce an efficient memory layer for GNNs that can jointly learn node representations and coarsen the graph.…

Machine Learning · Computer Science 2020-06-11 Amir Hosein Khasahmadi , Kaveh Hassani , Parsa Moradi , Leo Lee , Quaid Morris

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in handling graph-structured data; however, they exhibit failures after deployment, which can cause severe consequences. Hence, conducting thorough testing before deployment…

Software Engineering · Computer Science 2025-12-23 Lichen Yang , Qiang Wang , Zhonghao Yang , Daojing He , Yu Li

Graph neural networks (GNNs) have recently emerged as a promising approach for solving the Boolean Satisfiability Problem (SAT), offering potential alternatives to traditional backtracking or local search SAT solvers. However, despite the…

Machine Learning · Computer Science 2024-05-14 Zhaoyu Li , Jinpei Guo , Xujie Si

We propose a new graph-theoretic benchmark in this paper. The benchmark is developed to address shortcomings of an existing widely-used graph benchmark. We thoroughly studied a large number of traditional and contemporary graph algorithms…

Performance · Computer Science 2010-05-06 Andy B. Yoo , Yang Liu , Sheila Vaidya , Stephen Poole

Graph neural networks (GNNs) are an emerging model for learning graph embeddings and making predictions on graph structured data. However, robustness of graph neural networks is not yet well-understood. In this work, we focus on node…

Machine Learning · Computer Science 2019-12-24 James Fox , Sivasankaran Rajamanickam

Dynamic Graph Neural Networks (GNNs) combine temporal information with GNNs to capture structural, temporal, and contextual relationships in dynamic graphs simultaneously, leading to enhanced performance in various applications. As the…

Machine Learning · Computer Science 2024-05-02 ZhengZhao Feng , Rui Wang , TianXing Wang , Mingli Song , Sai Wu , Shuibing He

Graph neural networks (GNNs) have been extensively developed for graph representation learning in various application domains. However, similar to all other neural networks models, GNNs suffer from the black-box problem as people cannot…

Machine Learning · Computer Science 2022-03-18 Peibo Li , Yixing Yang , Maurice Pagnucco , Yang Song

In recent years, deep neural networks (DNNs) have known an important rise in popularity. However, although they are state-of-the-art in many machine learning challenges, they still suffer from several limitations. For example, DNNs require…

Machine Learning · Computer Science 2021-10-11 Carlos Lassance , Myriam Bontonou , Mounia Hamidouche , Bastien Pasdeloup , Lucas Drumetz , Vincent Gripon

We perform the first adversarial robustness study into Graph Neural Networks (GNNs) that are provably more powerful than traditional Message Passing Neural Networks (MPNNs). In particular, we use adversarial robustness as a tool to uncover…

Machine Learning · Computer Science 2024-07-04 Francesco Campi , Lukas Gosch , Tom Wollschläger , Yan Scholten , Stephan Günnemann

Neural networks excel at processing unstructured data but often fail to generalise out-of-distribution, whereas classical algorithms guarantee correctness but lack flexibility. We explore whether pretraining Graph Neural Networks (GNNs) on…

Machine Learning · Computer Science 2025-10-27 Jason Wu , Petar Veličković

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…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-24 Jana Vatter , Ruben Mayer , Hans-Arno Jacobsen

To handle graphs in which features or connectivities are evolving over time, a series of temporal graph neural networks (TGNNs) have been proposed. Despite the success of these TGNNs, the previous TGNN evaluations reveal several limitations…

Machine Learning · Computer Science 2023-09-01 Qiang Huang , Jiawei Jiang , Xi Susie Rao , Ce Zhang , Zhichao Han , Zitao Zhang , Xin Wang , Yongjun He , Quanqing Xu , Yang Zhao , Chuang Hu , Shuo Shang , Bo Du

Networks are a powerful tool to model complex systems, and the definition of many Graph Neural Networks (GNN), Deep Learning algorithms that can handle networks, has opened a new way to approach many real-world problems that would be hardly…

Machine Learning · Computer Science 2021-09-28 Marco Grassia , Manlio De Domenico , Giuseppe Mangioni

This paper addresses the challenging problem of retrieval and matching of graph structured objects, and makes two key contributions. First, we demonstrate how Graph Neural Networks (GNN), which have emerged as an effective model for various…

Machine Learning · Computer Science 2019-05-14 Yujia Li , Chenjie Gu , Thomas Dullien , Oriol Vinyals , Pushmeet Kohli

Graph Neural Networks (GNNs) have emerged as a dominant paradigm for learning on graph-structured data, thanks to their ability to jointly exploit node features and relational information encoded in the graph topology. This joint modeling,…

Machine Learning · Computer Science 2025-12-30 Yongyu Wang

We perform a massive evaluation of neural networks with architectures corresponding to random graphs of various types. We investigate various structural and numerical properties of the graphs in relation to neural network test accuracy. We…

Machine Learning · Computer Science 2020-12-03 Romuald A. Janik , Aleksandra Nowak