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In recent years, pre-trained graph neural networks (GNNs) have been developed as general models which can be effectively fine-tuned for various potential downstream tasks in materials science, and have shown significant improvements in…

Materials Science · Physics 2025-03-04 Shuyi Jia , Shitij Govil , Manav Ramprasad , Victor Fung

Graph Neural Networks (GNNs) are a powerful representational tool for solving problems on graph-structured inputs. In almost all cases so far, however, they have been applied to directly recovering a final solution from raw inputs, without…

Machine Learning · Statistics 2020-01-16 Petar Veličković , Rex Ying , Matilde Padovano , Raia Hadsell , Charles Blundell

Graph Neural Networks (GNNs) have demonstrated effectiveness in various graph-based tasks. However, their inefficiency in training and inference presents challenges for scaling up to real-world and large-scale graph applications. To address…

Machine Learning · Computer Science 2024-05-08 Lu Ma , Zeang Sheng , Xunkai Li , Xinyi Gao , Zhezheng Hao , Ling Yang , Wentao Zhang , Bin Cui

In this work, we propose to train a graph neural network via resampling from a graphon estimate obtained from the underlying network data. More specifically, the graphon or the link probability matrix of the underlying network is first…

Machine Learning · Computer Science 2021-09-07 Ziqing Hu , Yihao Fang , Lizhen Lin

Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing GNNs are designed to learn node representations on the fixed…

Machine Learning · Computer Science 2021-06-14 Seongjun Yun , Minbyul Jeong , Sungdong Yoo , Seunghun Lee , Sean S. Yi , Raehyun Kim , Jaewoo Kang , Hyunwoo J. Kim

Despite much research, Graph Neural Networks (GNNs) still do not display the favorable scaling properties of other deep neural networks such as Convolutional Neural Networks and Transformers. Previous work has identified issues such as…

Machine Learning · Computer Science 2023-12-19 Ameen Ali , Hakan Cevikalp , Lior Wolf

Recurrent Neural Networks (RNNs) are among the most successful machine learning models for sequence modelling, but tend to suffer from an exponential increase in the number of parameters when dealing with large multidimensional data. To…

Machine Learning · Computer Science 2021-05-12 Yao Lei Xu , Danilo P. Mandic

Graph Neural Networks (GNN) have shown a strong potential to be integrated into commercial products for network control and management. Early works using GNN have demonstrated an unprecedented capability to learn from different network…

Networking and Internet Architecture · Computer Science 2021-10-05 Miquel Ferriol-Galmés , José Suárez-Varela , Krzysztof Rusek , Pere Barlet-Ros , Albert Cabellos-Aparicio

Many interesting datasets ubiquitous in machine learning and deep learning can be described via graphs. As the scale and complexity of graph-structured datasets increase, such as in expansive social networks, protein folding, chemical…

Machine Learning · Computer Science 2021-04-06 Matthew T. Dearing , Xiaoyan Wang

Graph Neural Networks (GNN) exhibit superior performance in graph representation learning, but their inference cost can be high, due to an aggregation operation that can require a memory fetch for a very large number of nodes. This…

Machine Learning · Computer Science 2025-03-18 Yaochen Hu , Mai Zeng , Ge Zhang , Pavel Rumiantsev , Liheng Ma , Yingxue Zhang , Mark Coates

Graph Neural Networks (GNNs) are powerful and flexible neural networks that use the naturally sparse connectivity information of the data. GNNs represent this connectivity as sparse matrices, which have lower arithmetic intensity and thus…

Machine Learning · Computer Science 2020-09-04 Alok Tripathy , Katherine Yelick , Aydin Buluc

Beam dump experiments provide a distinctive opportunity to search for dark photons, which are compelling candidates for dark matter with low mass. In this study, we propose the application of Graph Neural Networks (GNN) in tracking…

High Energy Physics - Experiment · Physics 2024-04-23 Zejia Lu , Xiang Chen , Jiahui Wu , Yulei Zhang , Liang Li

The Large Hadron Collider (LHC) at the European Organisation for Nuclear Research (CERN) will be upgraded to further increase the instantaneous rate of particle collisions (luminosity) and become the High Luminosity LHC. This increase in…

Graph Neural Networks (GNNs) have shown remarkable merit in performing various learning-based tasks in complex networks. The superior performance of GNNs often correlates with the availability and quality of node-level features in the input…

Social and Information Networks · Computer Science 2023-10-20 Anwar Said , Mudassir Shabbir , Tyler Derr , Waseem Abbas , Xenofon Koutsoukos

Re-ranking systems aim to reorder an initial list of documents to satisfy better the information needs associated with a user-provided query. Modern re-rankers predominantly rely on neural network models, which have proven highly effective…

Information Retrieval · Computer Science 2024-06-18 Andrea Giuseppe Di Francesco , Christian Giannetti , Nicola Tonellotto , Fabrizio Silvestri

Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs…

Machine Learning · Computer Science 2019-09-17 Xiang Gao , Wei Hu , Zongming Guo

Graph Neural Networks (GNNs) are a form of deep learning that enable a wide range of machine learning applications on graph-structured data. The learning of GNNs, however, is known to pose challenges for memory-constrained devices such as…

Machine Learning · Computer Science 2023-05-01 Jeroen Bollen , Jasper Steegmans , Jan Van den Bussche , Stijn Vansummeren

Track reconstruction is a vital aspect of High-Energy Physics (HEP) and plays a critical role in major experiments. In this study, we delve into unexplored avenues for particle track reconstruction and hit clustering. Firstly, we enhance…

Graph neural networks (GNNs) have emerged as powerful tools for learning protein structures by capturing spatial relationships at the residue level. However, existing GNN-based methods often face challenges in learning multiscale…

Machine Learning · Computer Science 2026-02-03 Shih-Hsin Wang , Yuhao Huang , Taos Transue , Justin Baker , Jonathan Forstater , Thomas Strohmer , Bao Wang

Graph Neural Networks (GNNs) have superior capability in learning graph data. Full-graph GNN training generally has high accuracy, however, it suffers from large peak memory usage and encounters the Out-of-Memory problem when handling large…

Machine Learning · Computer Science 2024-06-10 Xizhi Gu , Hongzheng Li , Shihong Gao , Xinyan Zhang , Lei Chen , Yingxia Shao