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Graph Neural Networks (GNNs) aim to extend deep learning techniques to graph data and have achieved significant progress in graph analysis tasks (e.g., node classification) in recent years. However, similar to other deep neural networks…

人机交互 · 计算机科学 2022-04-08 Zhihua Jin , Yong Wang , Qianwen Wang , Yao Ming , Tengfei Ma , Huamin Qu

Graph neural networks (GNNs) are a type of neural model that tackle graphical tasks in an end-to-end manner. Recently, GNNs have been receiving increased attention in machine learning and data mining communities because of the higher…

机器学习 · 计算机科学 2023-02-07 Ayato Toyokuni , Makoto Yamada

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

Counterfactual explanations of Graph Neural Networks (GNNs) offer a powerful way to understand data that can naturally be represented by a graph structure. Furthermore, in many domains, it is highly desirable to derive data-driven global…

Graph Neural Networks (GNNs) have advanced significantly in handling graph-structured data, but a comprehensive framework for evaluating explainability remains lacking. Existing evaluation frameworks primarily involve post-hoc explanations,…

机器学习 · 计算机科学 2026-05-18 Magdalena Proszewska , N. Siddharth

Graph similarity computation aims to predict a similarity score between one pair of graphs to facilitate downstream applications, such as finding the most similar chemical compounds similar to a query compound or Fewshot 3D Action…

机器学习 · 计算机科学 2021-01-06 Haoyan Xu , Ziheng Duan , Jie Feng , Runjian Chen , Qianru Zhang , Zhongbin Xu , Yueyang Wang

Explaining Graph Neural Network (XGNN) has gained growing attention to facilitate the trust of using GNNs, which is the mainstream method to learn graph data. Despite their growing attention, Existing XGNNs focus on improving the…

密码学与安全 · 计算机科学 2025-02-07 Jiate Li , Meng Pang , Yun Dong , Jinyuan Jia , Binghui Wang

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…

机器学习 · 计算机科学 2023-11-02 Fang Wu , Siyuan Li , Xurui Jin , Yinghui Jiang , Dragomir Radev , Zhangming Niu , Stan Z. Li

Graph Neural Networks (GNNs) are powerful models that can manage complex data sources and their interconnection links. One of GNNs' main drawbacks is their lack of interpretability, which limits their application in sensitive fields. In…

机器学习 · 计算机科学 2026-03-24 Salvatore Calderaro , Domenico Amato , Giosuè Lo Bosco , Riccardo Rizzo , Filippo Vella

Data-driven surrogate modeling has surged in capability in recent years with the emergence of graph neural networks (GNNs), which can operate directly on mesh-based representations of data. The goal of this work is to introduce an…

机器学习 · 计算机科学 2024-10-25 Shivam Barwey , Hojin Kim , Romit Maulik

As one of the most fundamental tasks in graph theory, subgraph matching is a crucial task in many fields, ranging from information retrieval, computer vision, biology, chemistry and natural language processing. Yet subgraph matching problem…

机器学习 · 计算机科学 2022-09-19 Zixun Lan , Limin Yu , Linglong Yuan , Zili Wu , Qiang Niu , Fei Ma

Graph Neural Networks (GNNs) leverage the graph structure to transmit information between nodes, typically through the message-passing mechanism. While these models have found a wide variety of applications, they are known to suffer from…

机器学习 · 计算机科学 2025-10-23 Hugh Blayney , Álvaro Arroyo , Xiaowen Dong , Michael M. Bronstein

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…

分布式、并行与集群计算 · 计算机科学 2023-05-24 Jana Vatter , Ruben Mayer , Hans-Arno Jacobsen

Graph Neural Networks (GNNs) are increasingly adopted across domains such as molecular biology and social network analysis, yet their black-box nature hinders interpretability and trust. This is especially problematic in high-stakes…

机器学习 · 计算机科学 2026-03-05 Matteo De Sanctis , Riccardo De Sanctis , Stefano Faralli , Paola Velardi , Bardh Prenkaj

This paper explores how graph neural networks (GNNs) can be used to enhance visual scene understanding and surgical skill assessment. By using GNNs to analyze the complex visual data of surgical procedures represented as graph structures,…

计算机视觉与模式识别 · 计算机科学 2023-08-28 Shuja Khalid , Frank Rudzicz

Subgraph GNNs are a recent class of expressive Graph Neural Networks (GNNs) which model graphs as collections of subgraphs. So far, the design space of possible Subgraph GNN architectures as well as their basic theoretical properties are…

机器学习 · 计算机科学 2022-10-17 Fabrizio Frasca , Beatrice Bevilacqua , Michael M. Bronstein , Haggai Maron

Real-world networks exhibit prominent hierarchical and modular structures, with various subgraphs as building blocks. Most existing studies simply consider distinct subgraphs as motifs and use only their numbers to characterize the…

社会与信息网络 · 计算机科学 2019-12-17 Qi Xuan , Jinhuan Wang , Minghao Zhao , Junkun Yuan , Chenbo Fu , Zhongyuan Ruan , Guanrong Chen

Detecting the Maximum Common Subgraph (MCS) between two input graphs is fundamental for applications in drug synthesis, malware detection, cloud computing, etc. However, MCS computation is NP-hard, and state-of-the-art MCS solvers rely on…

机器学习 · 计算机科学 2021-05-13 Yunsheng Bai , Derek Xu , Yizhou Sun , Wei Wang

Despite the Graph Neural Networks' (GNNs) proficiency in analyzing graph data, achieving high-accuracy and interpretable predictions remains challenging. Existing GNN interpreters typically provide post-hoc explanations disjointed from…

机器学习 · 计算机科学 2024-07-26 Zhenhua Huang , Kunhao Li , Shaojie Wang , Zhaohong Jia , Wentao Zhu , Sharad Mehrotra

Subgraph isomorphism counting is an important problem on graphs, as many graph-based tasks exploit recurring subgraph patterns. Classical methods usually boil down to a backtracking framework that needs to navigate a huge search space with…

机器学习 · 计算机科学 2024-01-25 Xingtong Yu , Zemin Liu , Yuan Fang , Xinming Zhang