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Graphs are a ubiquitous data structure to model processes and relations in a wide range of domains. Examples include control-flow graphs in programs and semantic scene graphs in images. Identifying subgraph patterns in graphs is an…

机器学习 · 计算机科学 2022-02-22 Huan Song , Zeng Dai , Panpan Xu , Liu Ren

In graph neural networks (GNNs), message passing iteratively aggregates nodes' information from their direct neighbors while neglecting the sequential nature of multi-hop node connections. Such sequential node connections e.g., metapaths,…

Accurately predicting drug-drug interactions (DDI) for emerging drugs, which offer possibilities for treating and alleviating diseases, with computational methods can improve patient care and contribute to efficient drug development.…

定量方法 · 定量生物学 2023-11-17 Yongqi Zhang , Quanming Yao , Ling Yue , Xian Wu , Ziheng Zhang , Zhenxi Lin , Yefeng Zheng

Graph Neural Networks (GNNs) often struggle with heterophilic data, where connected nodes may have dissimilar labels, as they typically assume homophily and rely on local message passing. To address this, we propose creating alternative…

机器学习 · 计算机科学 2025-06-11 Victor M. Tenorio , Madeline Navarro , Samuel Rey , Santiago Segarra , Antonio G. Marques

Social and information networks are gaining huge popularity recently due to their various applications. Knowledge representation through graphs in the form of nodes and edges should preserve as many characteristics of the original data as…

机器学习 · 计算机科学 2021-02-08 Rucha Bhalchandra Joshi , Subhankar Mishra

Graphs are commonly used to characterise interactions between objects of interest. Because they are based on a straightforward formalism, they are used in many scientific fields from computer science to historical sciences. In this paper,…

机器学习 · 统计学 2015-06-24 Pierre Latouche , Fabrice Rossi

Graph Neural Networks (GNNs) are deep learning methods which provide the current state of the art performance in node classification tasks. GNNs often assume homophily -- neighboring nodes having similar features and labels--, and therefore…

机器学习 · 计算机科学 2021-10-26 Liheng Ma , Reihaneh Rabbany , Adriana Romero-Soriano

Graph Neural Networks (GNNs) demonstrate their significance by effectively modeling complex interrelationships within graph-structured data. To enhance the credibility and robustness of GNNs, it becomes exceptionally crucial to bolster…

机器学习 · 计算机科学 2023-12-18 Hang Gao , Chengyu Yao , Jiangmeng Li , Lingyu Si , Yifan Jin , Fengge Wu , Changwen Zheng , Huaping Liu

The exploration of Graph Neural Networks (GNNs) for processing graph-structured data has expanded, particularly their potential for causal analysis due to their universal approximation capabilities. Anticipated to significantly enhance…

机器学习 · 计算机科学 2024-01-30 Simi Job , Xiaohui Tao , Taotao Cai , Lin Li , Haoran Xie , Jianming Yong

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…

机器学习 · 计算机科学 2025-02-26 Batu El , Deepro Choudhury , Pietro Liò , Chaitanya K. Joshi

Graph neural networks (GNNs) aim to learn well-trained representations in a lower-dimension space for downstream tasks while preserving the topological structures. In recent years, attention mechanism, which is brilliant in the fields of…

社会与信息网络 · 计算机科学 2026-05-12 Chengcheng Sun , Chenhao Li , Xiang Lin , Tianji Zheng , Fanrong Meng , Xiaobin Rui , Zhixiao Wang

Graph Neural Networks (GNNs) have been widely used to learn representations on graphs and tackle many real-world problems from a wide range of domains. In this paper we propose wsGAT, an extension of the Graph Attention Network (GAT)…

社会与信息网络 · 计算机科学 2022-02-01 Marco Grassia , Giuseppe Mangioni

Forecasting electricity demand is increasingly challenging as energy systems become more decentralized and intertwined with renewable sources. Graph Neural Networks (GNNs) have recently emerged as a powerful paradigm to model spatial…

机器学习 · 计算机科学 2025-11-04 Eloi Campagne , Yvenn Amara-Ouali , Yannig Goude , Itai Zehavi , Argyris Kalogeratos

Graph-structured data ubiquitously appears in science and engineering. Graph neural networks (GNNs) are designed to exploit the relational inductive bias exhibited in graphs; they have been shown to outperform other forms of neural networks…

机器学习 · 计算机科学 2021-02-03 Veronika Thost , Jie Chen

Graph neural networks (GNNs) are widely used for modelling graph-structured data in numerous applications. However, with their inherently finite aggregation layers, existing GNN models may not be able to effectively capture long-range…

机器学习 · 计算机科学 2022-02-23 Juncheng Liu , Kenji Kawaguchi , Bryan Hooi , Yiwei Wang , Xiaokui Xiao

Graph Neural Networks (GNNs) have exploded onto the machine learning scene in recent years owing to their capability to model and learn from graph-structured data. Such an ability has strong implications in a wide variety of fields whose…

机器学习 · 计算机科学 2021-07-26 Sergi Abadal , Akshay Jain , Robert Guirado , Jorge López-Alonso , Eduard Alarcón

The ongoing need for effective epidemic modeling has driven advancements in capturing the complex dynamics of infectious diseases. Traditional models, such as Susceptible-Infected-Recovered, and graph-based approaches often fail to account…

社会与信息网络 · 计算机科学 2025-04-02 Songyuan Liu , Shengbo Gong , Tianning Feng , Zewen Liu , Max S. Y. Lau , Wei Jin

Graph neural networks (GNNs) have been applied into a variety of graph tasks. Most existing work of GNNs is based on the assumption that the given graph data is optimal, while it is inevitable that there exists missing or incomplete edges…

机器学习 · 计算机科学 2022-05-13 Qianggang Ding , Deheng Ye , Tingyang Xu , Peilin Zhao

Graph convolutional networks (GCNs) can effectively capture the features of related nodes and improve the performance of the model. More attention is paid to employing GCN in Skeleton-Based action recognition. But existing methods based on…

计算机视觉与模式识别 · 计算机科学 2020-12-08 Tingwei Li , Ruiwen Zhang , Qing Li

Graph-based analyses have gained a lot of relevance in the past years due to their high potential in describing complex systems by detailing the actors involved, their relations and their behaviours. Nevertheless, in scenarios where these…

机器学习 · 计算机科学 2021-06-11 Francesco Zola , Lander Segurola , Jan Lukas Bruse , Mikel Galar Idoate