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Graph Neural Networks (GNNs) have achieved much success on graph-structured data. In light of this, there have been increasing interests in studying their expressive power. One line of work studies the capability of GNNs to approximate…

Machine Learning · Computer Science 2023-02-14 Zhengdao Chen , Soledad Villar , Lei Chen , Joan Bruna

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…

Machine Learning · Computer Science 2023-06-21 Chen Cai

Graph Neural Networks (GNNs), a generalization of deep neural networks on graph data have been widely used in various domains, ranging from drug discovery to recommender systems. However, GNNs on such applications are limited when there are…

Machine Learning · Computer Science 2021-11-09 Debmalya Mandal , Sourav Medya , Brian Uzzi , Charu Aggarwal

Graph Neural Networks (GNNs) have become increasingly important due to their representational power and state-of-the-art predictive performance on many fundamental learning tasks. Despite this success, GNNs suffer from fairness issues that…

Machine Learning · Computer Science 2023-07-11 April Chen , Ryan A. Rossi , Namyong Park , Puja Trivedi , Yu Wang , Tong Yu , Sungchul Kim , Franck Dernoncourt , Nesreen K. Ahmed

Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data. Recent work on their expressive power has focused on isomorphism tasks and countable feature spaces. We extend this…

Machine Learning · Computer Science 2021-03-09 Gabriele Corso , Luca Cavalleri , Dominique Beaini , Pietro Liò , Petar Veličković

Graph Neural Networks (GNNs) have emerged as powerful representation learning tools for capturing complex dependencies within diverse graph-structured data. Despite their success in a wide range of graph mining tasks, GNNs have raised…

Machine Learning · Computer Science 2024-06-19 Wenzhao Jiang , Hao Liu , Hui Xiong

Spectral features are widely incorporated within Graph Neural Networks (GNNs) to improve their expressive power, or their ability to distinguish among non-isomorphic graphs. One popular example is the usage of graph Laplacian eigenvectors…

Machine Learning · Computer Science 2025-09-29 Snir Hordan , Maya Bechler-Speicher , Gur Lifshitz , Nadav Dym

Graphs are ubiquitous in nature and can therefore serve as models for many practical but also theoretical problems. For this purpose, they can be defined as many different types which suitably reflect the individual contexts of the…

Machine Learning · Computer Science 2023-04-27 Josephine M. Thomas , Alice Moallemy-Oureh , Silvia Beddar-Wiesing , Clara Holzhüter

Message-passing graph neural networks (MPNNs) have emerged as the leading approach for machine learning on graphs, attracting significant attention in recent years. While a large set of works explored the expressivity of MPNNs, i.e., their…

Machine Learning · Computer Science 2025-03-21 Antonis Vasileiou , Stefanie Jegelka , Ron Levie , Christopher Morris

Scalability of graph neural networks remains one of the major challenges in graph machine learning. Since the representation of a node is computed by recursively aggregating and transforming representation vectors of its neighboring nodes…

Machine Learning · Computer Science 2021-06-10 Zengfeng Huang , Shengzhong Zhang , Chong Xi , Tang Liu , Min Zhou

Graph neural networks (GNNs) have attracted considerable attention from the research community. It is well established that GNNs are usually roughly divided into spatial and spectral methods. Despite that spectral GNNs play an important…

Machine Learning · Computer Science 2023-02-14 Deyu Bo , Xiao Wang , Yang Liu , Yuan Fang , Yawen Li , Chuan Shi

Inspired by the immense success of deep learning, graph neural networks (GNNs) are widely used to learn powerful node representations and have demonstrated promising performance on different graph learning tasks. However, most real-world…

Machine Learning · Computer Science 2020-01-24 Kaize Ding , Yichuan Li , Jundong Li , Chenghao Liu , Huan Liu

Graph neural networks (GNNs) are popular to use for classifying structured data in the context of machine learning. But surprisingly, they are rarely applied to regression problems. In this work, we adopt GNN for a classic but challenging…

Machine Learning · Computer Science 2021-02-16 Wenzhong Yan , Di Jin , Zhidi Lin , Feng Yin

Graph Neural Networks (GNN) come in many flavors, but should always be either invariant (permutation of the nodes of the input graph does not affect the output) or equivariant (permutation of the input permutes the output). In this paper,…

Machine Learning · Computer Science 2019-10-25 Nicolas Keriven , Gabriel Peyré

Recent years have witnessed fast developments of graph neural networks (GNNs) that have benefited myriad graph analytic tasks and applications. Most GNNs rely on the homophily assumption that nodes belonging to the same class are more…

Machine Learning · Computer Science 2026-04-21 Xin Zheng , Yi Wang , Yixin Liu , Ming Li , Miao Zhang , Di Jin , Philip S. Yu , Shirui Pan

Graph Neural Networks (GNNs), which aggregate features from neighbors, are widely used for graph-structured data processing due to their powerful representation learning capabilities. It is generally believed that GNNs can implicitly remove…

Machine Learning · Computer Science 2022-09-30 Songtao Liu , Rex Ying , Hanze Dong , Lu Lin , Jinghui Chen , Dinghao Wu

Mechanics-related problems often present unique challenges in achieving accurate geometric and physical representations, particularly for non-uniform structures. Graph neural networks (GNNs) have emerged as a promising tool to tackle these…

Machine Learning · Computer Science 2024-07-17 Yingxue Zhao , Haoran Li , Haosu Zhou , Hamid Reza Attar , Tobias Pfaff , Nan Li

Graph Neural Networks (GNNs) have been extensively used for mining graph-structured data with impressive performance. However, because these traditional GNNs do not distinguish among various downstream tasks, embeddings embedded by them are…

Machine Learning · Computer Science 2024-09-20 Jianpeng Chen , Yujing Wang , Ming Zeng , Zongyi Xiang , Bitan Hou , Yunhai Tong , Ole J. Mengshoel , Yazhou Ren

Graph neural networks (GNNs) use graph convolutions to exploit network invariances and learn meaningful feature representations from network data. However, on large-scale graphs convolutions incur in high computational cost, leading to…

Machine Learning · Computer Science 2022-06-29 Juan Cervino , Luana Ruiz , Alejandro Ribeiro

Graph Neural Networks (GNNs) has been widely used in a variety of fields because of their great potential in representing graph-structured data. However, lacking of rigorous uncertainty estimations limits their application in high-stakes.…

Machine Learning · Computer Science 2025-01-07 Ting Wang , Zhixin Zhou , Rui Luo