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Graph regression is a fundamental task that has gained significant attention in various graph learning tasks. However, the inference process is often not easily interpretable. Current explanation techniques are limited to understanding…

机器学习 · 计算机科学 2024-10-25 Jiaxing Zhang , Zhuomin Chen , Hao Mei , Longchao Da , Dongsheng Luo , Hua Wei

Graph neural networks (GNNs) have been increasingly deployed in various applications that involve learning on non-Euclidean data. However, recent studies show that GNNs are vulnerable to graph adversarial attacks. Although there are several…

机器学习 · 计算机科学 2023-01-10 Chenhui Deng , Xiuyu Li , Zhuo Feng , Zhiru Zhang

Graph neural networks (GNNs) model nonlinear representations in graph data with applications in distributed agent coordination, control, and planning among others. Current GNN architectures assume ideal scenarios and ignore link…

信号处理 · 电气工程与系统科学 2021-09-01 Zhan Gao , Elvin Isufi , Alejandro Ribeiro

Accurate prediction of molecular properties is essential in drug discovery and related fields. However, existing graph neural networks (GNNs) often struggle to simultaneously capture both local and global molecular structures. In this work,…

机器学习 · 计算机科学 2025-08-26 XiaYu Liu , Chao Fan , Yang Liu , Hou-biao Li

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 long-standing goal in deep learning has been to characterize the learning behavior of black-box models in a more interpretable manner. For graph neural networks (GNNs), considerable advances have been made in formalizing what functions…

机器学习 · 计算机科学 2024-06-19 Chenxiao Yang , Qitian Wu , David Wipf , Ruoyu Sun , Junchi Yan

Deep learning methods are achieving ever-increasing performance on many artificial intelligence tasks. A major limitation of deep models is that they are not amenable to interpretability. This limitation can be circumvented by developing…

机器学习 · 计算机科学 2022-07-05 Hao Yuan , Haiyang Yu , Shurui Gui , Shuiwang Ji

Learning graph-structured data with graph neural networks (GNNs) has been recently emerging as an important field because of its wide applicability in bioinformatics, chemoinformatics, social network analysis and data mining. Recent GNN…

机器学习 · 计算机科学 2021-12-16 Cheolhyeong Kim , Haeseong Moon , Hyung Ju Hwang

The advent of Graph Neural Networks (GNNs) has revolutionized the field of machine learning, offering a novel paradigm for learning on graph-structured data. Unlike traditional neural networks, GNNs are capable of capturing complex…

硬件体系结构 · 计算机科学 2024-06-26 Kaustubh Shivdikar

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 data often exhibits complex geometric heterogeneity, where structures with varying local curvature, such as tree-like hierarchies and dense communities, coexist within a single network. Existing geometric GNNs, which embed graphs into…

机器学习 · 计算机科学 2026-01-21 Xudong Wang , Chris Ding , Tongxin Li , Jicong Fan

Graph Neural Networks (GNNs) have become a prominent approach to machine learning with graphs and have been increasingly applied in a multitude of domains. Nevertheless, since most existing GNN models are based on flat message-passing…

机器学习 · 计算机科学 2022-10-27 Zhiqiang Zhong , Cheng-Te Li , Jun Pang

Graph Neural Networks (GNNs) are exemplary deep models designed for graph data. Message passing mechanism enables GNNs to effectively capture graph topology and push the performance boundaries across various graph tasks. However, the trend…

神经与进化计算 · 计算机科学 2025-09-29 Huizhe Zhang , Jintang Li , Yuchang Zhu , Liang Chen , Li Kuang

Graph Neural Networks (GNNs) have risen to prominence in learning representations for graph structured data. A single GNN layer typically consists of a feature transformation and a feature aggregation operation. The former normally uses…

机器学习 · 计算机科学 2021-10-19 Yao Ma , Xiaorui Liu , Tong Zhao , Yozen Liu , Jiliang Tang , Neil Shah

A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the…

机器学习 · 计算机科学 2019-06-28 KiJung Yoon , Renjie Liao , Yuwen Xiong , Lisa Zhang , Ethan Fetaya , Raquel Urtasun , Richard Zemel , Xaq Pitkow

Graph neural networks (GNNs) have received great attention due to their success in various graph-related learning tasks. Several GNN frameworks have then been developed for fast and easy implementation of GNN models. Despite their…

机器学习 · 计算机科学 2022-11-08 Xin Huang , Jongryool Kim , Bradley Rees , Chul-Ho Lee

The Large Hadron Collider at CERN produces immense volumes of complex data from high-energy particle collisions, demanding sophisticated analytical techniques for effective interpretation. Neural Networks, including Graph Neural Networks,…

Graph Neural Networks (GNNs) are powerful tools for learning from graph-structured data, but their scalability is increasingly strained by the size of real-world graphs in domains like recommender systems, fraud detection, and molecular…

机器学习 · 计算机科学 2026-05-22 Mridul Gupta , Samyak Jain , Vansh Ramani , Hariprasad Kodamana , Sayan Ranu

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

机器学习 · 计算机科学 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

Graph neural networks (GNNs) have recently grown in popularity in the field of artificial intelligence (AI) due to their unique ability to ingest relatively unstructured data types as input data. Although some elements of the GNN…

机器学习 · 计算机科学 2021-12-28 Isaac Ronald Ward , Jack Joyner , Casey Lickfold , Yulan Guo , Mohammed Bennamoun
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