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Graph neural networks (GNNs) are widely used in many applications. However, their robustness against adversarial attacks is criticized. Prior studies show that using unnoticeable modifications on graph topology or nodal features can…

Machine Learning · Computer Science 2020-02-27 Xianfeng Tang , Yandong Li , Yiwei Sun , Huaxiu Yao , Prasenjit Mitra , Suhang Wang

In recommender systems, user-item interactions can be modeled as a bipartite graph, where user and item nodes are connected by undirected edges. This graph-based view has motivated the rapid adoption of graph neural networks (GNNs), which…

This paper studies Dropout Graph Neural Networks (DropGNNs), a new approach that aims to overcome the limitations of standard GNN frameworks. In DropGNNs, we execute multiple runs of a GNN on the input graph, with some of the nodes randomly…

Machine Learning · Computer Science 2021-11-12 Pál András Papp , Karolis Martinkus , Lukas Faber , Roger Wattenhofer

Graph Neural Networks (GNNs) have achieved remarkable success in various graph-based learning tasks. While their performance is often attributed to the powerful neighborhood aggregation mechanism, recent studies suggest that other…

Machine Learning · Computer Science 2024-12-11 Yushun Dong , Patrick Soga , Yinhan He , Song Wang , Jundong Li

We propose AGS-GNN, a novel attribute-guided sampling algorithm for Graph Neural Networks (GNNs) that exploits node features and connectivity structure of a graph while simultaneously adapting for both homophily and heterophily in graphs.…

Machine Learning · Computer Science 2024-05-27 Siddhartha Shankar Das , S M Ferdous , Mahantesh M Halappanavar , Edoardo Serra , Alex Pothen

Edge intelligence has arisen as a promising computing paradigm for supporting miscellaneous smart applications that rely on machine learning techniques. While the community has extensively investigated multi-tier edge deployment for…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-11-01 Liekang Zeng , Chongyu Yang , Peng Huang , Zhi Zhou , Shuai Yu , Xu Chen

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

A fundamental challenge in graph learning is understanding how models generalize to new, unseen graphs. While synthetic benchmarks offer controlled settings for analysis, existing approaches are confined to single-graph, transductive…

Machine Learning · Computer Science 2026-03-03 Louis Van Langendonck , Guillermo Bernárdez , Nina Miolane , Pere Barlet-Ros

Characterizing and understanding graph neural networks (GNNs) is essential for identifying performance bottlenecks and facilitating their deployment in parallel and distributed systems. Despite substantial work in this area, a comprehensive…

Hardware Architecture · Computer Science 2025-01-22 Meng Wu , Mingyu Yan , Wenming Li , Xiaochun Ye , Dongrui Fan , Yuan Xie

Graph Neural Networks (GNNs) have achieved strong performance across a range of graph representation learning tasks, yet their adversarial robustness in graph classification remains underexplored compared to node classification. While most…

Machine Learning · Computer Science 2025-10-28 Sofiane Ennadir , Oleg Smirnov , Yassine Abbahaddou , Lele Cao , Johannes F. Lutzeyer

Understanding and predicting interface diffusion phenomena in materials is crucial for various industrial applications, including semiconductor manufacturing, battery technology, and catalysis. In this study, we propose a novel approach…

Materials Science · Physics 2025-01-13 Zirui Zhao , Hai-Feng Li

Graph Neural Networks (GNNs) have become a powerful tool for modeling and analyzing data with graph structures. The wide adoption in numerous applications underscores the value of these models. However, the complexity of these methods often…

Artificial Intelligence · Computer Science 2025-12-10 Tien Cuong Bui

We investigate the vulnerability of Graph Neural Networks (GNNs) to bit-flip attacks (BFAs) by introducing an analytical framework to study the influence of architectural features, graph properties, and their interaction. The expressivity…

Machine Learning · Computer Science 2025-04-21 Lorenz Kummer , Wilfried N. Gansterer , Nils M. Kriege

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…

Machine Learning · Computer Science 2019-11-14 Michael Lingzhi Li , Meng Dong , Jiawei Zhou , Alexander M. Rush

Graph Neural Networks (GNNs) have emerged as the predominant method for analyzing graph-structured data. However, canonical GNNs have limited expressive power and generalization capability, thus triggering the development of more expressive…

Machine Learning · Computer Science 2024-08-07 Danial Saber , Amirali Salehi-Abari

This extended abstract describes a framework for analyzing the expressiveness, learning, and (structural) generalization of hypergraph neural networks (HyperGNNs). Specifically, we focus on how HyperGNNs can learn from finite datasets and…

Machine Learning · Computer Science 2023-03-10 Zhezheng Luo , Jiayuan Mao , Joshua B. Tenenbaum , Leslie Pack Kaelbling

Graph Neural Networks (GNNs) have paved the way for being a cornerstone in graph-related learning tasks. Yet, the ability of GNNs to capture structural interactions within graphs remains under-explored. In this work, we address this gap by…

Machine Learning · Computer Science 2025-03-04 Asela Hevapathige , Qing Wang

Graph Neural Network (GNN) aggregates the neighborhood of each node into the node embedding and shows its powerful capability for graph representation learning. However, most existing GNN variants aggregate the neighborhood information in a…

Machine Learning · Computer Science 2020-10-13 Chengsheng Mao , Liang Yao , Yuan Luo

Nowadays the development of new functional materials/chemical compounds using machine learning (ML) techniques is a hot topic and includes several crucial steps, one of which is the choice of chemical structure representation. Classical…

Computational Physics · Physics 2020-06-11 Vadim Korolev , Artem Mitrofanov , Alexandru Korotcov , Valery Tkachenko

Unraveling the complexities of Gene Regulatory Networks (GRNs) is crucial for understanding cellular processes and disease mechanisms. Traditional computational methods often struggle with the dynamic nature of these networks. This study…

Machine Learning · Computer Science 2025-03-04 Hakan T. Otal , Abdulhamit Subasi , Furkan Kurt , M. Abdullah Canbaz , Yasin Uzun