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The high energy physics (HEP) community has a long history of dealing with large-scale datasets. To manage such voluminous data, classical machine learning and deep learning techniques have been employed to accelerate physics discovery.…

Machine Learning · Computer Science 2021-01-18 Samuel Yen-Chi Chen , Tzu-Chieh Wei , Chao Zhang , Haiwang Yu , Shinjae Yoo

Graph convolutional neural networks (GCNN) have numerous applications in different graph based learning tasks. Although the techniques obtain impressive results, they often fall short in accounting for the uncertainty associated with the…

Machine Learning · Computer Science 2019-11-13 Soumyasundar Pal , Florence Regol , Mark Coates

Graph Neural Networks (GNNs) have shown remarkable success in learning from graph-structured data. However, their application to directed graphs (digraphs) presents unique challenges, primarily due to the inherent asymmetry in node…

Machine Learning · Computer Science 2025-05-16 Wei Zhuo , Han Yu , Guang Tan , Xiaoxiao Li

We explore the feasibility of combining Graph Neural Network-based policy architectures with Deep Reinforcement Learning as an approach to problems in systems. This fits particularly well with operations on networks, which naturally take…

Machine Learning · Computer Science 2021-12-02 Oliver Hope , Eiko Yoneki

Graph Neural Networks (GNNs) have become essential for handling large-scale graph applications. However, the computational demands of GNNs necessitate the development of efficient methods to accelerate inference. Mixed precision…

Machine Learning · Computer Science 2025-05-15 Samir Moustafa , Nils M. Kriege , Wilfried N. Gansterer

Graph Neural Networks (GNNs) have achieved tremendous success in graph representation learning. Unfortunately, current GNNs usually rely on loading the entire attributed graph into network for processing. This implicit assumption may not be…

Machine Learning · Computer Science 2022-02-15 Junfu Wang , Yunhong Wang , Zhen Yang , Liang Yang , Yuanfang Guo

Deep learning models have been shown to outperform methods that rely on summary statistics, like the power spectrum, in extracting information from complex cosmological data sets. However, due to differences in the subgrid physics…

Cosmology and Nongalactic Astrophysics · Physics 2024-04-16 Andrea Roncoli , Aleksandra Ćiprijanović , Maggie Voetberg , Francisco Villaescusa-Navarro , Brian Nord

Graph neural networks (GNNs) have been used extensively for addressing problems in drug design and discovery. Both ligand and target molecules are represented as graphs with node and edge features encoding information about atomic elements…

Machine Learning · Computer Science 2021-10-14 Dhananjay Bhaskar , Jackson D. Grady , Michael A. Perlmutter , Smita Krishnaswamy

The rapid development of Internet technology has given rise to a vast amount of graph-structured data. Graph Neural Networks (GNNs), as an effective method for various graph mining tasks, incurs substantial computational resource costs when…

Machine Learning · Computer Science 2024-03-04 Lin Wang , Wenqi Fan , Jiatong Li , Yao Ma , Qing Li

Graph condensation (GC) aims to distill the original graph into a small-scale graph, mitigating redundancy and accelerating GNN training. However, conventional GC approaches heavily rely on rigid GNNs and task-specific supervision. Such a…

Machine Learning · Computer Science 2025-09-19 Yeyu Yan , Shuai Zheng , Wenjun Hui , Xiangkai Zhu , Dong Chen , Zhenfeng Zhu , Yao Zhao , Kunlun He

While kernel methods and Graph Neural Networks offer complementary strengths, integrating the two has posed challenges in efficiency and scalability. The Graph Neural Tangent Kernel provides a theoretical bridge by interpreting GNNs through…

Machine Learning · Computer Science 2025-07-17 Lin Wang , Shijie Wang , Sirui Huang , Qing Li

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

To demonstrate supremacy of quantum computing, increasingly large-scale superconducting quantum computing chips are being designed and fabricated. However, the complexity of simulating quantum systems poses a significant challenge to…

Quantum Physics · Physics 2025-07-25 Hao Ai , Yu-xi Liu

Traffic flow forecasting is a highly challenging task due to the dynamic spatial-temporal road conditions. Graph neural networks (GNN) has been widely applied in this task. However, most of these GNNs ignore the effects of time-varying road…

Machine Learning · Computer Science 2023-07-13 Zhengdao Li , Wei Li , Kai Hwang

Graph Convolutional Networks (GCNs) have achieved impressive empirical advancement across a wide variety of semi-supervised node classification tasks. Despite their great success, training GCNs on large graphs suffers from computational and…

Machine Learning · Computer Science 2021-11-02 Weilin Cong , Morteza Ramezani , Mehrdad Mahdavi

Convolutional neural networks (CNNs) have achieved great success on grid-like data such as images, but face tremendous challenges in learning from more generic data such as graphs. In CNNs, the trainable local filters enable the automatic…

Machine Learning · Computer Science 2018-09-05 Hongyang Gao , Zhengyang Wang , Shuiwang Ji

The main approach to hybrid quantum-classical neural networks (QNN) is employing quantum computing to build a neural network (NN) that has quantum features, which is then optimized classically. Here, we propose a different strategy: to use…

Quantum Physics · Physics 2025-04-22 Stefan-Alexandru Jura , Mihai Udrescu

Graph Neural Networks (GNNs) have gained popularity in various learning tasks, with successful applications in fields like molecular biology, transportation systems, and electrical grids. These fields naturally use graph data, benefiting…

Machine Learning · Computer Science 2024-09-23 Caio F. Deberaldini Netto , Zhiyang Wang , Luana Ruiz

Discovering new phenomena at the Large Hadron Collider (LHC) involves the identification of rare signals over conventional backgrounds. Thus binary classification tasks are ubiquitous in analyses of the vast amounts of LHC data. We develop…

This paper studies semi-supervised graph classification, which is an important problem with various applications in social network analysis and bioinformatics. This problem is typically solved by using graph neural networks (GNNs), which…

Machine Learning · Computer Science 2022-05-24 Wei Ju , Junwei Yang , Meng Qu , Weiping Song , Jianhao Shen , Ming Zhang