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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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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.…

机器学习 · 计算机科学 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…

分布式、并行与集群计算 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

硬件体系结构 · 计算机科学 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…

机器学习 · 计算机科学 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…

材料科学 · 物理学 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…

人工智能 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

计算物理 · 物理学 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…

机器学习 · 计算机科学 2025-03-04 Hakan T. Otal , Abdulhamit Subasi , Furkan Kurt , M. Abdullah Canbaz , Yasin Uzun