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Learning and reasoning about 3D molecular structures with varying size is an emerging and important challenge in machine learning and especially in drug discovery. Equivariant Graph Neural Networks (GNNs) can simultaneously leverage the…

Machine Learning · Computer Science 2022-03-03 Tuan Le , Frank Noé , Djork-Arné Clevert

Objective: Multi-modal functional magnetic resonance imaging (fMRI) can be used to make predictions about individual behavioral and cognitive traits based on brain connectivity networks. Methods: To take advantage of complementary…

Machine Learning · Computer Science 2024-08-27 Gang Qu , Li Xiao , Wenxing Hu , Kun Zhang , Vince D. Calhoun , Yu-Ping Wang

Directed acyclic graphs (DAGs) are central to science and engineering applications including causal inference, scheduling, and neural architecture search. In this work, we introduce the DAG Convolutional Network (DCN), a novel graph neural…

Signal Processing · Electrical Eng. & Systems 2026-05-20 Samuel Rey , Hamed Ajorlou , Gonzalo Mateos

Deep learning has achieved a remarkable performance breakthrough in several fields, most notably in speech recognition, natural language processing, and computer vision. In particular, convolutional neural network (CNN) architectures…

Computer Vision and Pattern Recognition · Computer Science 2016-12-08 Federico Monti , Davide Boscaini , Jonathan Masci , Emanuele Rodolà , Jan Svoboda , Michael M. Bronstein

Graph Drawing techniques have been developed in the last few years with the purpose of producing aesthetically pleasing node-link layouts. Recently, the employment of differentiable loss functions has paved the road to the massive usage of…

Machine Learning · Computer Science 2022-07-04 Matteo Tiezzi , Gabriele Ciravegna , Marco Gori

Many real-world datasets, such as citation networks, social networks, and molecular structures, are naturally represented as heterogeneous graphs, where nodes belong to different types and have additional features. For example, in a…

Machine Learning · Computer Science 2026-02-05 Pallabee Das , Stefan Heindorf

Graph convolutional network (GCN) is an emerging neural network approach. It learns new representation of a node by aggregating feature vectors of all neighbors in the aggregation process without considering whether the neighbors or…

Machine Learning · Computer Science 2022-04-01 Li Zhang , Heda Song , Nikolaos Aletras , Haiping Lu

Graph prediction problems prevail in data analysis and machine learning. The inverse prediction problem, namely to infer input data from given output labels, is of emerging interest in various applications. In this work, we develop…

Machine Learning · Statistics 2022-11-22 Chen Xu , Xiuyuan Cheng , Yao Xie

Graph neural networks (GNNs) demonstrate a robust capability for representation learning on graphs with complex structures, showcasing superior performance in various applications. The majority of existing GNNs employ a graph convolution…

Machine Learning · Computer Science 2025-02-19 Jinlu Wang , Jipeng Guo , Yanfeng Sun , Junbin Gao , Shaofan Wang , Yachao Yang , Baocai Yin

Geometric deep learning provides a principled and versatile manner for the integration of imaging and non-imaging modalities in the medical domain. Graph Convolutional Networks (GCNs) in particular have been explored on a wide variety of…

Classification tasks based on feature vectors can be significantly improved by including within deep learning a graph that summarises pairwise relationships between the samples. Intuitively, the graph acts as a conduit to channel and bias…

Machine Learning · Computer Science 2019-09-27 Robert L. Peach , Alexis Arnaudon , Mauricio Barahona

To read the final version please go to IEEE TGRS on IEEE Xplore. Convolutional neural networks (CNNs) have been attracting increasing attention in hyperspectral (HS) image classification, owing to their ability to capture spatial-spectral…

Computer Vision and Pattern Recognition · Computer Science 2021-07-07 Danfeng Hong , Lianru Gao , Jing Yao , Bing Zhang , Antonio Plaza , Jocelyn Chanussot

We introduce a family of multilayer graph kernels and establish new links between graph convolutional neural networks and kernel methods. Our approach generalizes convolutional kernel networks to graph-structured data, by representing…

Machine Learning · Statistics 2020-06-30 Dexiong Chen , Laurent Jacob , Julien Mairal

The analysis of 3D point clouds has diverse applications in robotics, vision and graphics. Processing them presents specific challenges since they are naturally sparse, can vary in spatial resolution and are typically unordered. Graph-based…

Computer Vision and Pattern Recognition · Computer Science 2023-04-03 Mohammad Khodadad , Morteza Rezanejad , Ali Shiraee Kasmaee , Kaleem Siddiqi , Dirk Walther , Hamidreza Mahyar

Graph neural network (GNN) models are increasingly being used for the classification of electroencephalography (EEG) data. However, GNN-based diagnosis of neurological disorders, such as Alzheimer's disease (AD), remains a relatively…

Neurons and Cognition · Quantitative Biology 2023-12-21 Dominik Klepl , Fei He , Min Wu , Daniel J. Blackburn , Ptolemaios G. Sarrigiannis

Network data can be conveniently modeled as a graph signal, where data values are assigned to nodes of a graph that describes the underlying network topology. Successful learning from network data is built upon methods that effectively…

Machine Learning · Computer Science 2021-05-26 Fernando Gama , Elvin Isufi , Geert Leus , Alejandro Ribeiro

Graph-based neural network models are gaining traction in the field of representation learning due to their ability to uncover latent topological relationships between entities that are otherwise challenging to identify. These models have…

Image and Video Processing · Electrical Eng. & Systems 2023-07-25 Aryan Singh , Pepijn Van de Ven , Ciarán Eising , Patrick Denny

Multi-modal neuroimaging technology has greatlly facilitated the efficiency and diagnosis accuracy, which provides complementary information in discovering objective disease biomarkers. Conventional deep learning methods, e.g. convolutional…

Image and Video Processing · Electrical Eng. & Systems 2022-10-26 Yanwu Yang , Xutao Guo , Zhikai Chang , Chenfei Ye , Yang Xiang , Ting Ma

Graph convolutional learning has led to many exciting discoveries in diverse areas. However, in some applications, traditional graphs are insufficient to capture the structure and intricacies of the data. In such scenarios, multigraphs…

Machine Learning · Computer Science 2023-04-26 Landon Butler , Alejandro Parada-Mayorga , Alejandro Ribeiro

Graph convolutional neural networks (GCNN) have been successfully applied to many different graph based learning tasks including node and graph classification, matrix completion, and learning of node embeddings. Despite their impressive…

Machine Learning · Computer Science 2019-10-29 Soumyasundar Pal , Florence Regol , Mark Coates
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