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In the last decade or so, we have witnessed deep learning reinvigorating the machine learning field. It has solved many problems in the domains of computer vision, speech recognition, natural language processing, and various other tasks…

Machine Learning · Computer Science 2021-09-09 Lilapati Waikhom , Ripon Patgiri

Generative models generate vast numbers of hypothetical materials, necessitating fast, accurate models for property prediction. Graph Neural Networks (GNNs) excel in this domain but face challenges like high training costs, domain…

Materials Science · Physics 2025-01-08 Hongwei Du , Jiamin Wang , Jian Hui , Lanting Zhang , Hong Wang

Graph neural networks (GNNs) are a type of deep learning models that are trained on graphs and have been successfully applied in various domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to…

Machine Learning · Computer Science 2023-08-28 Yingxia Shao , Hongzheng Li , Xizhi Gu , Hongbo Yin , Yawen Li , Xupeng Miao , Wentao Zhang , Bin Cui , Lei Chen

Geometric deep learning has made great strides towards generalizing the design of structure-aware neural networks from traditional domains to non-Euclidean ones, giving rise to graph neural networks (GNN) that can be applied to…

Machine Learning · Statistics 2024-10-28 Frederik Wenkel , Yimeng Min , Matthew Hirn , Michael Perlmutter , Guy Wolf

Applying network science approaches to investigate the functions and anatomy of the human brain is prevalent in modern medical imaging analysis. Due to the complex network topology, for an individual brain, mining a discriminative network…

Computer Vision and Pattern Recognition · Computer Science 2020-07-21 Wen Zhang , Liang Zhan , Paul Thompson , Yalin Wang

Graph Neural Networks (GNNs) are deep-learning architectures designed for graph-type data, where understanding relationships among individual observations is crucial. However, achieving promising GNN performance, especially on unseen data,…

Machine Learning · Computer Science 2024-05-22 Lequan Lin , Dai Shi , Andi Han , Zhiyong Wang , Junbin Gao

Graph embedding is an important approach for graph analysis tasks such as node classification and link prediction. The goal of graph embedding is to find a low dimensional representation of graph nodes that preserves the graph information.…

Machine Learning · Computer Science 2019-08-27 Mahsa Ghorbani , Mahdieh Soleymani Baghshah , Hamid R. Rabiee

The recently proposed fully-connected tensor network (FCTN) decomposition has demonstrated significant advantages in correlation characterization and transpositional invariance, and has achieved notable achievements in multi-dimensional…

Machine Learning · Computer Science 2026-02-16 Wenjin Qin , Hailin Wang , Jiangjun Peng , Jianjun Wang , Tingwen Huang

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of…

Machine Learning · Computer Science 2023-12-08 Abishek Sriramulu , Nicolas Fourrier , Christoph Bergmeir

Spatial reasoning in text plays a crucial role in various real-world applications. Existing approaches for spatial reasoning typically infer spatial relations from pure text, which overlooks the gap between natural language and symbolic…

Computation and Language · Computer Science 2024-03-11 Shuaiyi Li , Yang Deng , Wai Lam

Deep networks trained on large-scale data can learn transferable features to promote learning multiple tasks. Since deep features eventually transition from general to specific along deep networks, a fundamental problem of multi-task…

Machine Learning · Computer Science 2017-11-07 Mingsheng Long , Zhangjie Cao , Jianmin Wang , Philip S. Yu

Deep learning's success has been widely recognized in a variety of machine learning tasks, including image classification, audio recognition, and natural language processing. As an extension of deep learning beyond these domains, graph…

Machine Learning · Computer Science 2021-07-22 Zhiqian Chen , Fanglan Chen , Lei Zhang , Taoran Ji , Kaiqun Fu , Liang Zhao , Feng Chen , Lingfei Wu , Charu Aggarwal , Chang-Tien Lu

Deep learning's performance has been extensively recognized recently. Graph neural networks (GNNs) are designed to deal with graph-structural data that classical deep learning does not easily manage. Since most GNNs were created using…

Machine Learning · Computer Science 2023-09-20 Zhiqian Chen , Fanglan Chen , Lei Zhang , Taoran Ji , Kaiqun Fu , Liang Zhao , Feng Chen , Lingfei Wu , Charu Aggarwal , Chang-Tien Lu

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological…

Machine Learning · Computer Science 2022-03-18 Max Horn , Edward De Brouwer , Michael Moor , Yves Moreau , Bastian Rieck , Karsten Borgwardt

Message-passing neural networks (MPNNs) have been successfully applied to representation learning on graphs in a variety of real-world applications. However, two fundamental weaknesses of MPNNs' aggregators limit their ability to represent…

Machine Learning · Computer Science 2020-02-17 Hongbin Pei , Bingzhe Wei , Kevin Chen-Chuan Chang , Yu Lei , Bo Yang

Graph Convolutional Networks (GCNs) have gained great popularity in tackling various analytics tasks on graph and network data. However, some recent studies raise concerns about whether GCNs can optimally integrate node features and…

Machine Learning · Computer Science 2020-07-14 Xiao Wang , Meiqi Zhu , Deyu Bo , Peng Cui , Chuan Shi , Jian Pei

Graph neural networks (GNNs) have recently grown in popularity in the field of artificial intelligence (AI) due to their unique ability to ingest relatively unstructured data types as input data. Although some elements of the GNN…

Machine Learning · Computer Science 2021-12-28 Isaac Ronald Ward , Jack Joyner , Casey Lickfold , Yulan Guo , Mohammed Bennamoun

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

Active tether-net systems are a promising solution for capturing large non-cooperative targets, such as space debris, by deploying a flexible net manipulated by maneuverable units (MUs). However, concurrent systematic explorations of design…

Machine Learning · Computer Science 2026-05-29 Feng Liu , Achira Boonrath , Gishnu Madhu , Eleonora M. Botta , Souma Chowdhury

Recent progress in research on Deep Graph Networks (DGNs) has led to a maturation of the domain of learning on graphs. Despite the growth of this research field, there are still important challenges that are yet unsolved. Specifically,…

Machine Learning · Computer Science 2024-04-10 Alessio Gravina , Davide Bacciu