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Graphs are a powerful data structure for representing relational data and are widely used to describe complex real-world systems. Probabilistic Graphical Models (PGMs) and Graph Neural Networks (GNNs) can both leverage graph-structured…

机器学习 · 统计学 2025-08-26 Michela Lapenna , Caterina De Bacco

Most of the successful deep neural network architectures are structured, often consisting of elements like convolutional neural networks and gated recurrent neural networks. Recently, graph neural networks have been successfully applied to…

机器学习 · 计算机科学 2019-06-04 Zhen Zhang , Fan Wu , Wee Sun Lee

With its capability to deal with graph data, which is widely found in practical applications, graph neural networks (GNNs) have attracted significant research attention in recent years. As societies become increasingly concerned with the…

分布式、并行与集群计算 · 计算机科学 2022-12-22 Rui Liu , Pengwei Xing , Zichao Deng , Anran Li , Cuntai Guan , Han Yu

This thesis presents a local-to-global perspective on graph neural networks (GNN), the leading architecture to process graph-structured data. After categorizing GNN into local Message Passing Neural Networks (MPNN) and global Graph…

机器学习 · 计算机科学 2023-06-21 Chen Cai

Graph Neural Networks (GNNs), which generalize the deep neural networks to graph-structured data, have achieved great success in modeling graphs. However, as an extension of deep learning for graphs, GNNs lack explainability, which largely…

机器学习 · 计算机科学 2021-08-30 Enyan Dai , Suhang Wang

Graph Neural Networks (GNNs) have received a lot of interest in the recent times. From the early spectral architectures that could only operate on undirected graphs per a transductive learning paradigm to the current state of the art…

机器学习 · 计算机科学 2021-05-18 Pushkar Mishra , Aleksandra Piktus , Gerard Goossen , Fabrizio Silvestri

Graph neural networks are deep neural networks designed for graphs with attributes attached to nodes or edges. The number of research papers in the literature concerning these models is growing rapidly due to their impressive performance on…

机器学习 · 计算机科学 2024-12-30 James H. Tanis , Chris Giannella , Adrian V. Mariano

Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy.…

机器学习 · 计算机科学 2023-08-21 Maciej Besta , Torsten Hoefler

The conventional CNN, widely used for two-dimensional images, however, is not directly applicable to non-regular geometric surface, such as a cortical thickness. We propose Geometric CNN (gCNN) that deals with data representation over a…

神经与进化计算 · 计算机科学 2017-08-03 Si-Baek Seong , Chongwon Pae , Hae-Jeong Park

Graph neural networks (GNNs) have emerged as a promising solution to deal with unstructured data, outperforming traditional deep learning architectures. However, most of the current GNN models are designed to work with a single graph, which…

机器学习 · 计算机科学 2024-11-11 Victor M. Tenorio , Antonio G. Marques

Graph neural networks (GNNs) have emerged as a powerful tool for effectively mining and learning from graph-structured data, with applications spanning numerous domains. However, most research focuses on static graphs, neglecting the…

机器学习 · 计算机科学 2024-04-30 Yanping Zheng , Lu Yi , Zhewei Wei

The success of deep learning has revolutionized many fields of research including areas of computer vision, text and speech processing. Enormous research efforts have led to numerous methods that are capable of efficiently analyzing data,…

机器学习 · 计算机科学 2020-07-20 Christoph Heindl

Graph Neural Networks (GNNs) are powerful machine learning models that excel at analyzing structured data represented as graphs, demonstrating remarkable performance in applications like social network analysis and recommendation systems.…

量子物理 · 物理学 2024-05-28 Yidong Liao , Xiao-Ming Zhang , Chris Ferrie

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

Recently, subgraphs-enhanced Graph Neural Networks (SGNNs) have been introduced to enhance the expressive power of Graph Neural Networks (GNNs), which was proved to be not higher than the 1-dimensional Weisfeiler-Leman isomorphism test. The…

机器学习 · 计算机科学 2023-01-20 Michele Guerra , Indro Spinelli , Simone Scardapane , Filippo Maria Bianchi

Graph Neural Networks (GNNs) have greatly advanced the semi-supervised node classification task on graphs. The majority of existing GNNs are trained in an end-to-end manner that can be viewed as tackling a bi-level optimization problem.…

机器学习 · 计算机科学 2023-07-20 Haoyu Han , Xiaorui Liu , Haitao Mao , MohamadAli Torkamani , Feng Shi , Victor Lee , Jiliang Tang

Time series data are everywhere -- from finance to healthcare -- and each domain brings its own unique complexities and structures. While advanced models like Transformers and graph neural networks (GNNs) have gained popularity in time…

机器学习 · 计算机科学 2025-04-01 Fan-Keng Sun , Yu-Cheng Wu , Duane S. Boning

Although a number of studies have explored deep learning in neuroscience, the application of these algorithms to neural systems on a microscopic scale, i.e. parameters relevant to lower scales of organization, remains relatively novel.…

机器学习 · 计算机科学 2020-10-20 Paul Y. Wang , Sandalika Sapra , Vivek Kurien George , Gabriel A. Silva

Graphs are widely used to describe real-world objects and their interactions. Graph Neural Networks (GNNs) as a de facto model for analyzing graphstructured data, are highly sensitive to the quality of the given graph structures. Therefore,…

机器学习 · 计算机科学 2022-02-16 Yanqiao Zhu , Weizhi Xu , Jinghao Zhang , Yuanqi Du , Jieyu Zhang , Qiang Liu , Carl Yang , Shu Wu

Graph Neural Networks (GNNs) have become powerful tools for learning from graph-structured data, finding applications across diverse domains. However, as graph sizes and connectivity increase, standard GNN training methods face significant…

机器学习 · 计算机科学 2025-12-01 Eshed Gal , Moshe Eliasof , Carola-Bibiane Schönlieb , Ivan I. Kyrchei , Eldad Haber , Eran Treister
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