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Deep learning has achieved a remarkable performance breakthrough in several fields, most notably in speech recognition, natural language processing, and computer vision. In particular, convolutional neural network (CNN) architectures…

Computer Vision and Pattern Recognition · Computer Science 2016-12-08 Federico Monti , Davide Boscaini , Jonathan Masci , Emanuele Rodolà , Jan Svoboda , Michael M. Bronstein

The study of biological systems witnessed a pervasive cross-fertilization between experimental investigation and computational methods. This gave rise to the development of new methodologies, able to tackle the complexity of biological…

Computational Engineering, Finance, and Science · Computer Science 2013-10-01 Daniela Besozzi , Giulio Caravagna , Paolo Cazzaniga , Marco Nobile , Dario Pescini , Alessandro Re

Deep learning in molecular and materials sciences is limited by the lack of integration between applied science, artificial intelligence, and high-performance computing. Bottlenecks with respect to the amount of training data, the size and…

Machine Learning · Computer Science 2021-12-08 Nathan C. Frey , Siddharth Samsi , Joseph McDonald , Lin Li , Connor W. Coley , Vijay Gadepally

Although High Performance Computing (HPC) users understand basic resource requirements such as the number of CPUs and memory limits, internal infrastructural utilization data is exclusively leveraged by cluster operators, who use it to…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-01-19 Abel Souza , Kristiaan Pelckmans , Johan Tordsson

HEP data-processing software must support the disparate physics needs of many experiments. For both collider and neutrino environments, HEP experiments typically use data-processing frameworks to manage the computational complexities of…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-03-29 Christopher D. Jones , Kyle Knoepfel , Paolo Calafiura , Charles Leggett , Vakhtang Tsulaia

Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains…

Machine Learning · Computer Science 2020-03-27 Maithra Raghu , Eric Schmidt

Deep learning has been shown as a successful machine learning method for a variety of tasks, and its popularity results in numerous open-source deep learning software tools. Training a deep network is usually a very time-consuming process.…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-02-20 Shaohuai Shi , Qiang Wang , Pengfei Xu , Xiaowen Chu

Molecular dynamics simulations can generate atomically detailed trajectories of complex systems, but analyzing these dynamics can be challenging when systems lack well-established quantitative descriptors (features). Graph neural networks…

Machine Learning · Computer Science 2025-12-09 Zihan Pengmei , Spencer C. Guo , Chatipat Lorpaiboon , Aaron R. Dinner

Deep Learning (DL) applications are gaining momentum in the realm of Artificial Intelligence, particularly after GPUs have demonstrated remarkable skills for accelerating their challenging computational requirements. Within this context,…

Computer Vision and Pattern Recognition · Computer Science 2018-08-02 Francisco M. Castro , Nicolás Guil , Manuel J. Marín-Jiménez , Jesús Pérez-Serrano , Manuel Ujaldón

Deep learning systems extensively use convolution operations to process input data. Though convolution is clearly defined for structured data such as 2D images or 3D volumes, this is not true for other data types such as sparse point…

Computer Vision and Pattern Recognition · Computer Science 2018-09-26 Pedro Hermosilla , Tobias Ritschel , Pere-Pau Vázquez , Àlvar Vinacua , Timo Ropinski

Characterizing and predicting the training performance of modern machine learning (ML) workloads on compute systems with compute and communication spread between CPUs, GPUs, and network devices is not only the key to optimization and…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-11-27 Zhongyi Lin , Ning Sun , Pallab Bhattacharya , Xizhou Feng , Louis Feng , John D. Owens

We propose a CPU-GPU heterogeneous computing method for solving time-evolution partial differential equation problems many times with guaranteed accuracy, in short time-to-solution and low energy-to-solution. On a single-GH200 node, the…

Computational Engineering, Finance, and Science · Computer Science 2024-10-01 Tsuyoshi Ichimura , Kohei Fujita , Muneo Hori , Lalith Maddegedara , Jack Wells , Alan Gray , Ian Karlin , John Linford

Artificial Intelligence/Machine Learning applications require the training of complex models on large amounts of labelled data. The large computational requirements for training deep models have necessitated the development of new methods…

After years of using Graphics Processing Units (GPUs) to accelerate scientific applications in fields as varied as tomography, computer vision, climate modeling, digital forensics, geospatial databases, particle physics, radio astronomy,…

Software Engineering · Computer Science 2020-05-28 Ben van Werkhoven , Willem Jan Palenstijn , Alessio Sclocco

Convolution is a fundamental operation in many applications, such as computer vision, natural language processing, image processing, etc. Recent successes of convolutional neural networks in various deep learning applications put even…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-05-31 Xiaoming Chen , Jianxu Chen , Danny Z. Chen , Xiaobo Sharon Hu

Machine learning is increasingly used to improve decisions within branch-and-bound algorithms for mixed-integer programming. Many existing approaches rely on deep learning, which often requires very large training datasets and substantial…

Machine Learning · Computer Science 2026-04-02 Selin Bayramoğlu , George L Nemhauser , Nikolaos V Sahinidis

In recent years, deep neural networks (DNNs), have yielded strong results on a wide range of applications. Graphics Processing Units (GPUs) have been one key enabling factor leading to the current popularity of DNNs. However, despite…

Neural and Evolutionary Computing · Computer Science 2016-11-22 Matthew W. Moskewicz , Ali Jannesari , Kurt Keutzer

With the rise of AI in recent years and the increase in complexity of the models, the growing demand in computational resources is starting to pose a significant challenge. The need for higher compute power is being met with increasingly…

Hyperdimensional Computing (HDC) is a brain-inspired computing paradigm that represents and manipulates information using high-dimensional vectors, called hypervectors (HV). Traditional HDC methods, while robust to noise and inherently…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-06-12 Dhruv Parikh , Viktor Prasanna

Convolutional Neural Networks (CNNs) have been very successful at solving a variety of computer vision tasks such as object classification and detection, semantic segmentation, activity understanding, to name just a few. One key enabling…

Computer Vision and Pattern Recognition · Computer Science 2021-05-18 Guohao Li , Matthias Müller , Guocheng Qian , Itzel C. Delgadillo , Abdulellah Abualshour , Ali Thabet , Bernard Ghanem
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