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Large-scale graph training is a notoriously challenging problem for graph neural networks (GNNs). Due to the nature of evolving graph structures into the training process, vanilla GNNs usually fail to scale up, limited by the GPU memory…

Machine Learning · Computer Science 2023-03-02 Keyu Duan , Zirui Liu , Peihao Wang , Wenqing Zheng , Kaixiong Zhou , Tianlong Chen , Xia Hu , Zhangyang Wang

Graph Neural Networks (GNNs) have received a lot of interest in the recent times. From the early spectral architectures that could only operate on undirected graphs per a transductive learning paradigm to the current state of the art…

Machine Learning · Computer Science 2021-05-18 Pushkar Mishra , Aleksandra Piktus , Gerard Goossen , Fabrizio Silvestri

Graph neural networks (GNNs) have been proposed for a wide range of graph-related learning tasks. In particular, in recent years, an increasing number of GNN systems were applied to predict molecular properties. However, a direct impediment…

Biomolecules · Quantitative Biology 2021-04-23 Yingfang Yuan , Wenjun Wang , Wei Pang

Graph neural networks (GNNs) have emerged as a popular strategy for handling non-Euclidean data due to their state-of-the-art performance. However, most of the current GNN model designs mainly focus on task accuracy, lacking in considering…

Machine Learning · Computer Science 2023-04-14 Ao Zhou , Jianlei Yang , Yingjie Qi , Yumeng Shi , Tong Qiao , Weisheng Zhao , Chunming Hu

We present GIGA-Lens: a gradient-informed, GPU-accelerated Bayesian framework for modeling strong gravitational lensing systems, implemented in TensorFlow and JAX. The three components, optimization using multi-start gradient descent,…

Instrumentation and Methods for Astrophysics · Physics 2022-08-16 A. Gu , X. Huang , W. Sheu , G. Aldering , A. S. Bolton , K. Boone , A. Dey , A. Filipp , E. Jullo , S. Perlmutter , D. Rubin , E. F. Schlafly , D. J. Schlegel , Y. Shu , S. H. Suyu

Usage of GPUs as co-processors is a well-established approach to accelerate costly algorithms operating on matrices and vectors. We aim to further improve the performance of the Global Neutrino Analysis framework (GNA) by adding GPU support…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-04-23 Anna Fatkina , Maxim Gonchar , Liudmila Kolupaeva , Dmitry Naumov , Konstantin Treskov

We present an algorithm named "Chamomile Scheme". The scheme is fully optimized for calculating gravitational interactions on the latest programmable Graphics Processing Unit (GPU), NVIDIA GeForce8800GTX, which has (a) small but fast shared…

Astrophysics · Physics 2007-05-23 Tsuyoshi Hamada , Toshiaki Iitaka

As in various fields like scientific research and industrial application, the computation time optimization is becoming a task that is of increasing importance because of its highly parallel architecture. The graphics processing unit is…

Performance · Computer Science 2017-10-18 Huichao Hong , Lixin Zheng , Shuwan Pan

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

Due to the recent announcement of the Frontier supercomputer, many scientific application developers are working to make their applications compatible with AMD architectures (CPU-GPU), which means moving away from the traditional CPU and…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-11-11 Matthew Leinhauser , René Widera , Sergei Bastrakov , Alexander Debus , Michael Bussmann , Sunita Chandrasekaran

In this paper we describe and demonstrate a C++ code written to determine the trajectory of particles traversing oriented single crystals and a CUDA code written to evaluate the radiation spectra from charged particles with arbitrary…

Computational Physics · Physics 2019-10-24 Christian Flohr Nielsen

The LHC experiments are designed to detect large amount of physics events produced with a very high rate. Considering the future upgrades, the data acquisition rate will become even higher and new computing paradigms must be adopted for…

The recent improvements of graphics processing units (GPU) offer to the computer vision community a powerful processing platform. Indeed, a lot of highly-parallelizable computer vision problems can be significantly accelerated using GPU…

Computer Vision and Pattern Recognition · Computer Science 2008-04-10 Vincent Garcia , Eric Debreuve , Michel Barlaud

High Performance Computing (HPC) platforms allow scientists to model computationally intensive algorithms. HPC clusters increasingly use General-Purpose Graphics Processing Units (GPGPUs) as accelerators; FPGAs provide an attractive…

Hardware Architecture · Computer Science 2015-04-20 Syed Waqar Nabi , Saji N. Hameed , Wim Vanderbauwhede

Graphics Processing Unit (GPU) computing is becoming an alternate computing platform for numerical simulations. However, it is not clear which numerical scheme will provide the highest computational efficiency for different types of…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-09-07 Ben J. Zimmerman , Jonathan D. Regele , Bong Wie

To satisfy the compute and memory demands of deep neural networks, neural processing units (NPUs) are widely being utilized for accelerating deep learning algorithms. Similar to how GPUs have evolved from a slave device into a mainstream…

Hardware Architecture · Computer Science 2019-11-19 Bongjoon Hyun , Youngeun Kwon , Yujeong Choi , John Kim , Minsoo Rhu

The proliferation of IoT devices and advancements in network technologies have intensified the demand for real-time data processing at the network edge. To address these demands, low-power AI accelerators, particularly GPUs, are…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-08-13 Abhinaba Chakraborty , Wouter Tavernier , Akis Kourtis , Mario Pickavet , Andreas Oikonomakis , Didier Colle

Cosmological simulations play an important role in the interpretation of astronomical data, in particular in comparing observed data to our theoretical expectations. However, to compare data with these simulations, the simulations in…

Cosmology and Nongalactic Astrophysics · Physics 2025-08-14 Jacky H. T. Yip , Xinyue Zhang , Yanfang Wang , Wei Zhang , Yueqiu Sun , Gabriella Contardo , Francisco Villaescusa-Navarro , Siyu He , Shy Genel , Shirley Ho

Graph neural networks (GNNs) are among the most powerful tools in deep learning. They routinely solve complex problems on unstructured networks, such as node classification, graph classification, or link prediction, with high accuracy.…

Machine Learning · Computer Science 2023-08-21 Maciej Besta , Torsten Hoefler

Graph classification is an important area in both modern research and industry. Multiple applications, especially in chemistry and novel drug discovery, encourage rapid development of machine learning models in this area. To keep up with…

Machine Learning · Computer Science 2022-11-08 Jakub Adamczyk
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