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While deep ensembles are widely considered to be the default method for uncertainty quantification in deep learning, their effectiveness for graph-structured data is often simply assumed based on successes in domains like computer vision.…

Machine Learning · Computer Science 2026-05-22 Pedro C. Vieira , Pedro Ribeiro , Viacheslav Borovitskiy

A powerful framework for studying graphs is to consider them as geometric graphs: nodes are randomly sampled from an underlying metric space, and any pair of nodes is connected if their distance is less than a specified neighborhood radius.…

Machine Learning · Computer Science 2022-11-28 Raffaele Paolino , Aleksandar Bojchevski , Stephan Günnemann , Gitta Kutyniok , Ron Levie

Supervised learning with deep models has tremendous potential for applications in materials science. Recently, graph neural networks have been used in this context, drawing direct inspiration from models for molecules. However, materials…

Materials Science · Physics 2023-01-18 Sékou-Oumar Kaba , Siamak Ravanbakhsh

Continuous graph neural models based on differential equations have expanded the architecture of graph neural networks (GNNs). Due to the connection between graph diffusion and message passing, diffusion-based models have been widely…

Machine Learning · Computer Science 2024-04-01 Kaiyuan Cui , Xinyan Wang , Zicheng Zhang , Weichen Zhao

Graph Neural Networks (GNNs) have enjoyed wide spread applications in graph-structured data. However, existing graph based applications commonly lack annotated data. GNNs are required to learn latent patterns from a limited amount of…

Machine Learning · Computer Science 2023-03-22 Wenqi Wei , Mu Qiao , Divyesh Jadav

Graph Neural Networks (GNNs) have made significant advances on several fundamental inference tasks. As a result, there is a surge of interest in using these models for making potentially important decisions in high-regret applications.…

Machine Learning · Computer Science 2020-02-26 Kaidi Xu , Sijia Liu , Pin-Yu Chen , Mengshu Sun , Caiwen Ding , Bhavya Kailkhura , Xue Lin

In the current era of neural networks and big data, higher dimensional data is processed for automation of different application areas. Graphs represent a complex data organization in which dependencies between more than one object or…

Machine Learning · Computer Science 2019-12-23 Ihsan Ullah , Mario Manzo , Mitul Shah , Michael Madden

Despite the wide application of Graph Convolutional Network (GCN), one major limitation is that it does not benefit from the increasing depth and suffers from the oversmoothing problem. In this work, we first characterize this phenomenon…

The past few years has witnessed the dominance of Graph Convolutional Networks (GCNs) over human motion prediction.Various styles of graph convolutions have been proposed, with each one meticulously designed and incorporated into a…

Computer Vision and Pattern Recognition · Computer Science 2023-12-20 Xinshun Wang , Qiongjie Cui , Chen Chen , Mengyuan Liu

Predictions over graphs play a crucial role in various domains, including social networks and medicine. Graph Neural Networks (GNNs) have emerged as the dominant approach for learning on graph data. Although a graph-structure is provided as…

Machine Learning · Computer Science 2024-02-27 Maya Bechler-Speicher , Ido Amos , Ran Gilad-Bachrach , Amir Globerson

Graph Neural Networks (GNNs) are models that leverage the graph structure to transmit information between nodes, typically through the message-passing operation. While widely successful, this approach is well known to suffer from the…

Graph deep learning has recently emerged as a powerful ML concept allowing to generalize successful deep neural architectures to non-Euclidean structured data. Such methods have shown promising results on a broad spectrum of applications…

Machine Learning · Computer Science 2022-05-16 Anees Kazi , Luca Cosmo , Seyed-Ahmad Ahmadi , Nassir Navab , Michael Bronstein

Symmetries (transformations by group actions) are present in many datasets, and leveraging them holds considerable promise for improving predictions in machine learning. In this work, we aim to understand when and how deep networks -- with…

Machine Learning · Computer Science 2025-06-27 Andrea Perin , Stephane Deny

Graph neural networks (GNNs) have significantly improved the representation power for graph-structured data. Despite of the recent success of GNNs, the graph convolution in most GNNs have two limitations. Since the graph convolution is…

Machine Learning · Computer Science 2021-12-30 Jinyoung Park , Sungdong Yoo , Jihwan Park , Hyunwoo J. Kim

Graph convolution networks have recently garnered a lot of attention for representation learning on non-Euclidean feature spaces. Recent research has focused on stacking multiple layers like in convolutional neural networks for the…

Machine Learning · Computer Science 2021-05-05 Rangan Das , Bikram Boote , Saumik Bhattacharya , Ujjwal Maulik

To improve the robustness of graph neural networks (GNN), graph structure learning (GSL) has attracted great interest due to the pervasiveness of noise in graph data. Many approaches have been proposed for GSL to jointly learn a clean graph…

Machine Learning · Computer Science 2023-07-06 Shaogao Lv , Gang Wen , Shiyu Liu , Linsen Wei , Ming Li

Multi-person motion prediction is a complex and emerging field with significant real-world applications. Current state-of-the-art methods typically adopt dual-path networks to separately modeling spatial features and temporal features.…

Computer Vision and Pattern Recognition · Computer Science 2024-11-08 Kehua Qu , Rui Ding , Jin Tang

Since their introduction by Kipf and Welling in $2017$, a primary use of graph convolutional networks is transductive node classification, where missing labels are inferred within a single observed graph and its feature matrix. Despite the…

Machine Learning · Statistics 2025-09-09 Nils Detering , Luca Galimberti , Anastasis Kratsios , Giulia Livieri , A. Martina Neuman

Graph representation learning (GRL) methods, such as graph neural networks and graph transformer models, have been successfully used to analyze graph-structured data, mainly focusing on node classification and link prediction tasks.…

Machine Learning · Computer Science 2023-08-21 Van Thuy Hoang , O-Joun Lee

This paper aims to provide a novel design of a multiscale framelet convolution for spectral graph neural networks (GNNs). While current spectral methods excel in various graph learning tasks, they often lack the flexibility to adapt to…

Machine Learning · Computer Science 2024-07-30 Mengxi Yang , Dai Shi , Xuebin Zheng , Jie Yin , Junbin Gao