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Equivariant Graph Neural Networks (eGNNs) trained on density-functional theory (DFT) data can potentially perform electronic structure prediction at unprecedented scales, enabling investigation of the electronic properties of materials with…

Machine Learning · Computer Science 2025-07-08 Manasa Kaniselvan , Alexander Maeder , Chen Hao Xia , Alexandros Nikolaos Ziogas , Mathieu Luisier

Traffic flow forecasting is a crucial first step in intelligent and proactive traffic management. Traffic flow parameters are volatile and uncertain, making traffic flow forecasting a difficult task if the appropriate forecasting model is…

Machine Learning · Computer Science 2024-06-04 Jewel Rana Palit , Osama A Osman

Efficient use of urban micromobility resources such as bike sharing is challenging due to the unbalanced station-level demand and supply, which causes the maintenance of the bike sharing systems painstaking. Prior efforts have been made on…

Artificial Intelligence · Computer Science 2025-07-23 Xi Yang , Jiachen Wang , Song Han , Suining He

Despite the recent success of Graph Neural Networks (GNNs), training GNNs on large graphs remains challenging. The limited resource capacities of the existing servers, the dependency between nodes in a graph, and the privacy concern due to…

Machine Learning · Computer Science 2022-03-15 Morteza Ramezani , Weilin Cong , Mehrdad Mahdavi , Mahmut T. Kandemir , Anand Sivasubramaniam

Although graph convolutional networks exhibit promising performance in 3D human pose estimation, their reliance on one-hop neighbors limits their ability to capture high-order dependencies among body joints, crucial for mitigating…

Computer Vision and Pattern Recognition · Computer Science 2024-07-30 Abu Taib Mohammed Shahjahan , A. Ben Hamza

This study focuses on the challenge of predicting network traffic within complex topological environments. It introduces a spatiotemporal modeling approach that integrates Graph Convolutional Networks (GCN) with Gated Recurrent Units (GRU).…

Machine Learning · Computer Science 2025-05-13 Nan Jiang , Wenxuan Zhu , Xu Han , Weiqiang Huang , Yumeng Sun

Human action recognition from skeleton data, fueled by the Graph Convolutional Network (GCN), has attracted lots of attention, due to its powerful capability of modeling non-Euclidean structure data. However, many existing GCN methods…

Computer Vision and Pattern Recognition · Computer Science 2019-11-12 Wei Peng , Xiaopeng Hong , Haoyu Chen , Guoying Zhao

Reinforcement learning is well known for its ability to model sequential tasks and learn latent data patterns adaptively. Deep learning models have been widely explored and adopted in regression and classification tasks. However, deep…

Machine Learning · Computer Science 2025-06-17 Thanveer Shaik , Xiaohui Tao , Haoran Xie , Lin Li , Jianming Yong , Yuefeng Li

Convolutional neural networks (CNNs) leverage the great power in representation learning on regular grid data such as image and video. Recently, increasing attention has been paid on generalizing CNNs to graph or network data which is…

Social and Information Networks · Computer Science 2018-08-21 Yao Ma , Suhang Wang , Charu C. Aggarwal , Dawei Yin , Jiliang Tang

Graph Convolutional Networks (GCNs) have recently become the primary choice for learning from graph-structured data, superseding hash fingerprints in representing chemical compounds. However, GCNs lack the ability to take into account the…

Machine Learning · Computer Science 2020-07-03 Tomasz Danel , Przemysław Spurek , Jacek Tabor , Marek Śmieja , Łukasz Struski , Agnieszka Słowik , Łukasz Maziarka

The complex spatial-temporal correlations in transportation networks make the traffic forecasting problem challenging. Since transportation system inherently possesses graph structures, many research efforts have been put with graph neural…

Machine Learning · Computer Science 2024-03-22 Yuyol Shin , Yoonjin Yoon

Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static…

Machine Learning · Computer Science 2019-06-07 Darwin Saire Pilco , Adín Ramírez Rivera

Graph Convolutional Networks (GCNs) have attracted more and more attentions in recent years. A typical GCN layer consists of a linear feature propagation step and a nonlinear transformation step. Recent works show that a linear GCN can…

Machine Learning · Computer Science 2021-10-29 Yifei Wang , Yisen Wang , Jiansheng Yang , Zhouchen Lin

Graph Neural Networks (GNNs) are an emerging research field. This specialized Deep Neural Network (DNN) architecture is capable of processing graph structured data and bridges the gap between graph processing and Deep Learning (DL). As…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-05-24 Jana Vatter , Ruben Mayer , Hans-Arno Jacobsen

Graph convolution is the core of most Graph Neural Networks (GNNs) and usually approximated by message passing between direct (one-hop) neighbors. In this work, we remove the restriction of using only the direct neighbors by introducing a…

Social and Information Networks · Computer Science 2022-04-06 Johannes Gasteiger , Stefan Weißenberger , Stephan Günnemann

Time, cost, and energy efficiency are critical considerations in Deep-Learning (DL), particularly when processing long texts. Transformers, which represent the current state of the art, exhibit quadratic computational complexity relative to…

Computation and Language · Computer Science 2025-07-11 Fardin Rastakhiz

Inspired by the success of Convolutional Neural Networks (CNNs) for supervised prediction in images, we design the Deconvolutional Generative Model (DGM), a new probabilistic generative model whose inference calculations correspond to those…

Computer Vision and Pattern Recognition · Computer Science 2019-12-10 Tan Nguyen , Nhat Ho , Ankit Patel , Anima Anandkumar , Michael I. Jordan , Richard G. Baraniuk

Wind speed prediction and forecasting is important for various business and management sectors. In this paper, we introduce new models for wind speed prediction based on graph convolutional networks (GCNs). Given hourly data of several…

Machine Learning · Computer Science 2021-01-26 Tomasz Stańczyk , Siamak Mehrkanoon

Traffic forecasting is a problem of intelligent transportation systems (ITS) and crucial for individuals and public agencies. Therefore, researches pay great attention to deal with the complex spatio-temporal dependencies of traffic system…

Machine Learning · Computer Science 2021-12-07 Yanjun Qin , Yuchen Fang , Haiyong Luo , Fang Zhao , Chenxing Wang

Crystal graph neural networks predict materials properties by propagating information through local atomic environments. In conventional crystal graph convolutional neural networks (CGCNNs), this propagation depth is increased by stacking…

Materials Science · Physics 2026-05-18 Satadeep Bhattacharjee