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Graph neural networks (GNNs) are an emerging model for learning graph embeddings and making predictions on graph structured data. However, robustness of graph neural networks is not yet well-understood. In this work, we focus on node…

Machine Learning · Computer Science 2019-12-24 James Fox , Sivasankaran Rajamanickam

In machine learning, exploring data correlations to predict outcomes is a fundamental task. Recognizing causal relationships embedded within data is pivotal for a comprehensive understanding of system dynamics, the significance of which is…

Machine Learning · Computer Science 2023-11-28 Simi Job , Xiaohui Tao , Taotao Cai , Haoran Xie , Lin Li , Jianming Yong , Qing 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…

Machine Learning · Computer Science 2024-06-19 Chenxiao Yang , Qitian Wu , David Wipf , Ruoyu Sun , Junchi Yan

Graph neural networks (GNNs) emerge as a powerful family of representation learning models on graphs. To derive node representations, they utilize a global model that recursively aggregates information from the neighboring nodes. However,…

Machine Learning · Computer Science 2021-11-04 Zemin Liu , Yuan Fang , Chenghao Liu , Steven C. H. Hoi

Many real-world phenomena can be modeled as a graph, making them extremely valuable due to their ubiquitous presence. GNNs excel at capturing those relationships and patterns within these graphs, enabling effective learning and prediction…

Machine Learning · Computer Science 2023-11-28 Abhinav Raghuvanshi , Kushal Sokke Malleshappa

Graph convolutional neural networks (GCNs) generalize tradition convolutional neural networks (CNNs) from low-dimensional regular graphs (e.g., image) to high dimensional irregular graphs (e.g., text documents on word embeddings). Due to…

Machine Learning · Computer Science 2021-03-30 Mehrnaz Najafi , Philip S. Yu

Graph neural networks (GNNs) achieve strong performance on graph learning tasks, but training on large-scale networks remains computationally challenging. Transferability results show that GNNs with fixed weights can generalize from smaller…

Signal Processing · Electrical Eng. & Systems 2026-04-17 Haoyu Wang , Renyuan Ma , Gonzalo Mateos , Luana Ruiz

Traditional Graph Self-Supervised Learning (GSSL) struggles to capture complex structural properties well. This limitation stems from two main factors: (1) the inadequacy of conventional Graph Neural Networks (GNNs) in representing…

Machine Learning · Computer Science 2025-02-25 Asiri Wijesinghe , Hao Zhu , Piotr Koniusz

Endowing robots with human-like physical reasoning abilities remains challenging. We argue that existing methods often disregard spatio-temporal relations and by using Graph Neural Networks (GNNs) that incorporate a relational inductive…

Machine Learning · Computer Science 2019-10-24 Fabio Ferreira , Lin Shao , Tamim Asfour , Jeannette Bohg

Neural-symbolic computing has now become the subject of interest of both academic and industry research laboratories. Graph Neural Networks (GNN) have been widely used in relational and symbolic domains, with widespread application of GNNs…

Artificial Intelligence · Computer Science 2021-06-15 Luis C. Lamb , Artur Garcez , Marco Gori , Marcelo Prates , Pedro Avelar , Moshe Vardi

Graph signal recovery (GSR) is a fundamental problem in graph signal processing, where the goal is to reconstruct a complete signal defined over a graph from a subset of noisy or missing observations. A central challenge in GSR is that the…

Signal Processing · Electrical Eng. & Systems 2025-09-24 Razieh Torkamani , Arash Amini , Hadi Zayyani , Mehdi Korki

Missing node attributes is a common problem in real-world graphs. Graph neural networks have been demonstrated power in graph representation learning while their performance is affected by the completeness of graph information. Most of them…

Machine Learning · Computer Science 2022-02-17 Zhixian Chen , Tengfei Ma , Yangqiu Song , Yang Wang

This paper builds on the connection between graph neural networks and traditional dynamical systems. We propose continuous graph neural networks (CGNN), which generalise existing graph neural networks with discrete dynamics in that they can…

Machine Learning · Computer Science 2020-07-17 Louis-Pascal A. C. Xhonneux , Meng Qu , Jian Tang

We introduce Graph-Induced Sum-Product Networks (GSPNs), a new probabilistic framework for graph representation learning that can tractably answer probabilistic queries. Inspired by the computational trees induced by vertices in the context…

Machine Learning · Computer Science 2024-02-19 Federico Errica , Mathias Niepert

Graph neural networks (GNNs) have achieved strong performance in various applications. In the real world, network data is usually formed in a streaming fashion. The distributions of patterns that refer to neighborhood information of nodes…

Machine Learning · Computer Science 2020-12-07 Junshan Wang , Guojie Song , Yi Wu , Liang Wang

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…

Computational Physics · Physics 2020-06-11 Vadim Korolev , Artem Mitrofanov , Alexandru Korotcov , Valery Tkachenko

Machine learning on graphs, especially using graph neural networks (GNNs), has seen a surge in interest due to the wide availability of graph data across a broad spectrum of disciplines, from life to social and engineering sciences. Despite…

Graph Neural Networks (GNNs) are proposed without considering the agnostic distribution shifts between training and testing graphs, inducing the degeneration of the generalization ability of GNNs on Out-Of-Distribution (OOD) settings. The…

Machine Learning · Computer Science 2024-03-12 Shaohua Fan , Xiao Wang , Chuan Shi , Peng Cui , Bai Wang

Graph-structured data are pervasive in the real-world such as social networks, molecular graphs and transaction networks. Graph neural networks (GNNs) have achieved great success in representation learning on graphs, facilitating various…

Machine Learning · Computer Science 2025-02-27 Zhimeng Guo , Teng Xiao , Zongyu Wu , Charu Aggarwal , Hui Liu , Suhang Wang

Two architectures that generalize convolutional neural networks (CNNs) for the processing of signals supported on graphs are introduced. We start with the selection graph neural network (GNN), which replaces linear time invariant filters…

Signal Processing · Electrical Eng. & Systems 2019-01-30 Fernando Gama , Antonio G. Marques , Geert Leus , Alejandro Ribeiro