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Graph Neural Networks (GNNs) are versatile, powerful machine learning methods that enable graph structure and feature representation learning, and have applications across many domains. For applications critically requiring interpretation,…

机器学习 · 计算机科学 2020-07-02 Chris Lin , Gerald J. Sun , Krishna C. Bulusu , Jonathan R. Dry , Marylens Hernandez

Graph Neural Networks (GNNs) are a popular technique for modelling graph-structured data and computing node-level representations via aggregation of information from the neighborhood of each node. However, this aggregation implies an…

机器学习 · 计算机科学 2022-08-30 Ameya Daigavane , Gagan Madan , Aditya Sinha , Abhradeep Guha Thakurta , Gaurav Aggarwal , Prateek Jain

Heterogeneous graphs, which contain nodes and edges of multiple types, are prevalent in various domains, including bibliographic networks, social media, and knowledge graphs. As a fundamental task in analyzing heterogeneous graphs,…

信息检索 · 计算机科学 2023-05-02 Linhao Luo , Yixiang Fang , Moli Lu , Xin Cao , Xiaofeng Zhang , Wenjie Zhang

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

Explainable Graph Neural Networks (GNNs) have been developed and applied to drug-protein binding prediction to identify the key chemical structures in a drug that have active interactions with the target proteins. However, the key…

生物大分子 · 定量生物学 2023-09-25 Yang Wang , Zanyu Shi , Timothy Richardson , Kun Huang , Pathum Weerawarna , Yijie Wang

The task of spatial clustering of transcriptomics data is of paramount importance. It enables the classification of tissue samples into diverse subpopulations of cells, which, in turn, facilitates the analysis of the biological functions of…

机器学习 · 计算机科学 2025-07-29 Mehrad Soltani , Luis Rueda

Graph neural networks (GNNs) for link prediction can loosely be divided into two broad categories. First, \emph{node-wise} architectures pre-compute individual embeddings for each node that are later combined by a simple decoder to make…

机器学习 · 计算机科学 2024-12-31 Yuxin Wang , Xiannian Hu , Quan Gan , Xuanjing Huang , Xipeng Qiu , David Wipf

Improving the scalability of GNNs is critical for large graphs. Existing methods leverage three sampling paradigms including node-wise, layer-wise and subgraph sampling, then design unbiased estimator for scalability. However, the high…

机器学习 · 计算机科学 2022-11-21 Yang Li , Bingbing Xu , Qi Cao , Yige Yuan , Huawei Shen

Graph Neural Networks (GNNs) are gaining extensive attention for their application in graph data. However, the black-box nature of GNNs prevents users from understanding and trusting the models, thus hampering their applicability. Whereas…

机器学习 · 计算机科学 2023-05-23 Qizhang Feng , Ninghao Liu , Fan Yang , Ruixiang Tang , Mengnan Du , Xia Hu

Time series forecasting is an extensively studied subject in statistics, economics, and computer science. Exploration of the correlation and causation among the variables in a multivariate time series shows promise in enhancing the…

机器学习 · 计算机科学 2021-04-22 Chao Shang , Jie Chen , Jinbo Bi

While Graph Neural Networks (GNNs) have achieved remarkable results in a variety of applications, recent studies exposed important shortcomings in their ability to capture the structure of the underlying graph. It has been shown that the…

机器学习 · 计算机科学 2023-09-26 Giorgos Bouritsas , Fabrizio Frasca , Stefanos Zafeiriou , Michael M. Bronstein

Graph neural networks (GNNs) are widely used for learning node embeddings in graphs, typically adopting a message-passing scheme. This approach, however, leads to the neighbor explosion problem, with exponentially growing computational and…

机器学习 · 计算机科学 2025-07-08 Zichao Yue , Chenhui Deng , Zhiru Zhang

Networks are ubiquitous in the real world. Link prediction, as one of the key problems for network-structured data, aims to predict whether there exists a link between two nodes. The traditional approaches are based on the explicit…

机器学习 · 计算机科学 2021-06-01 Wei Wu , Bin Li , Chuan Luo , Wolfgang Nejdl

Graph Neural Networks (GNNs) have demonstrated remarkable efficacy in tackling a wide array of graph-related tasks across diverse domains. However, a significant challenge lies in their propensity to generate biased predictions,…

机器学习 · 计算机科学 2025-01-03 Abdullah Alchihabi , Yuhong Guo

Graph Neural Networks (GNNs) have achieved state-of-the-art results for semi-supervised node classification on graphs. Nevertheless, the challenge of how to effectively learn GNNs with very few labels is still under-explored. As one of the…

机器学习 · 计算机科学 2022-01-21 Yayong Li , Jie Yin , Ling Chen

Despite their success in various domains, the growing dependence on GNNs raises a critical concern about the nature of the combinatorial reasoning underlying their predictions, which is often hidden within their black-box architectures.…

机器学习 · 计算机科学 2026-03-03 Yue Niu , Zhaokai Sun , Jiayi Yang , Xiaofeng Cao , Rui Fan , Xin Sun , Hanli Wang , Wei Ye

Graph, as an important data representation, is ubiquitous in many real world applications ranging from social network analysis to biology. How to correctly and effectively learn and extract information from graph is essential for a large…

机器学习 · 计算机科学 2020-10-27 Xiaodong Jiang , Ronghang Zhu , Pengsheng Ji , Sheng Li

A wide range of models have been proposed for Graph Generative Models, necessitating effective methods to evaluate their quality. So far, most techniques use either traditional metrics based on subgraph counting, or the representations of…

机器学习 · 统计学 2022-06-14 Hamed Shirzad , Kaveh Hassani , Danica J. Sutherland

Graph Neural Networks (GNNs) have been widely applied to various fields for learning over graph-structured data. They have shown significant improvements over traditional heuristic methods in various tasks such as node classification and…

机器学习 · 计算机科学 2022-06-10 Seongjun Yun , Seoyoon Kim , Junhyun Lee , Jaewoo Kang , Hyunwoo J. Kim

In recent years, graph neural networks (GNNs) have gained significant attention for node classification tasks on graph-structured data. However, traditional GNNs primarily focus on adjacency relationships between nodes, often overlooking…

机器学习 · 计算机科学 2025-11-17 A. Quadir , M. Tanveer