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We scrutinize how to accelerate the bottleneck operations of Pythonic coupled cluster implementations performed on a \texttt{NVIDIA} Tesla V100S PCIe 32GB (rev 1a) Graphics Processing Unit (GPU). The \texttt{NVIDIA} Compute Unified Device…

Clustering samples according to an effective metric and/or vector space representation is a challenging unsupervised learning task with a wide spectrum of applications. Among several clustering algorithms, k-means and its kernelized version…

Distributed, Parallel, and Cluster Computing · Computer Science 2017-10-10 Marco Jacopo Ferrarotti , Sergio Decherchi , Walter Rocchia

Many-particle continuous-time quantum walks (CTQWs) represent a resource for several tasks in quantum technology, including quantum search algorithms and universal quantum computation. In order to design and implement CTQWs in a realistic…

Quantum Physics · Physics 2017-10-02 Enrico Piccinini , Claudia Benedetti , Ilaria Siloi , Matteo G. A. Paris , Paolo Bordone

The Gaussian process (GP) model, which has been extensively applied as priors of functions, has demonstrated excellent performance. The specification of a large number of parameters affects the computational efficiency and the feasibility…

Machine Learning · Statistics 2020-02-13 Shisheng Cui , Chia-Jung Chang

Gaussian processes (GPs) provide a principled Bayesian framework for uncertainty estimation, but their computational complexity severely limits scalability to large datasets. We propose SIKA-GP, which accelerates GP inference using sparse…

Machine Learning · Computer Science 2026-05-27 Wenyuan Zhao , Rui Tuo , Chao Tian

Graphics Processing Units (GPUs) have become the standard in accelerating scientific applications on heterogeneous systems. However, as GPUs are getting faster, one potential performance bottleneck with GPU-accelerated applications is the…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-01 Jonah Ekelund , Stefano Markidis , Ivy Peng

Computer models or simulators are widely used across scientific fields, but are computationally expensive limiting their use to explore possible scenarios/outcomes. Gaussian process emulators are statistical surrogates that can rapidly…

Computation · Statistics 2025-08-27 Josh Seidman , Elaine T. Spiller

Modeling data sharing in GPU programs is a challenging task because of the massive parallelism and complex data sharing patterns provided by GPU architectures. Better GPU caching efficiency can be achieved through careful task scheduling…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-10-04 Lingda Li , Ari B. Hayes , Stephen A. Hackler , Eddy Z. Zhang , Mario Szegedy , Shuaiwen Leon Song

B-spline modeling is fundamental to CAD systems, and its evaluation and manipulation algorithms currently in use were developed decades ago, specifically for CPU architectures. While remaining effective for many applications, these…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-17 Jiayu Wu , Qiang Zou

Sequential models, such as Recurrent Neural Networks and Neural Ordinary Differential Equations, have long suffered from slow training due to their inherent sequential nature. For many years this bottleneck has persisted, as many thought…

Machine Learning · Computer Science 2024-01-17 Yi Heng Lim , Qi Zhu , Joshua Selfridge , Muhammad Firmansyah Kasim

GigaAPI is a user-space API that simplifies multi-GPU programming, bridging the gap between the capabilities of parallel GPU systems and the ability of developers to harness their full potential. The API offers a comprehensive set of…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-03 M. Suvarna , O. Tehrani

Modern graphics computing units (GPUs) are designed and optimized to perform highly parallel numerical calculations. This parallelism has enabled (and promises) significant advantages, both in terms of energy performance and calculation. In…

Hardware Architecture · Computer Science 2021-10-26 Quentin Gallouédec

Monte Carlo simulations of the Ising model play an important role in the field of computational statistical physics, and they have revealed many properties of the model over the past few decades. However, the effect of frustration due to…

Disordered Systems and Neural Networks · Physics 2017-01-04 Ye Fang , Sheng Feng , Ka-Ming Tam , Zhifeng Yun , Juana Moreno , J. Ramanujam , Mark Jarrell

A major bottleneck in scenario-based Sample Average Approximation (SAA) for stochastic programming (SP) is the cost of solving an exact second-stage problem for every scenario, especially when each scenario contains an NP-hard combinatorial…

Optimization and Control · Mathematics 2026-05-12 Jingyi Zhao , Linxin Yang , Haohua Zhang , Qile He , Tian Ding

Gaussian Process Regression is a well-known machine learning technique for which several quantum algorithms have been proposed. We show here that in a wide range of scenarios these algorithms show no exponential speedup. We achieve this by…

Quantum Physics · Physics 2025-07-04 Dominic Lowe , M. S. Kim , Roberto Bondesan

Incoherent dedispersion is a computationally intensive problem that appears frequently in pulsar and transient astronomy. For current and future transient pipelines, dedispersion can dominate the total execution time, meaning its…

Instrumentation and Methods for Astrophysics · Physics 2015-06-03 Benjamin R. Barsdell , Matthew Bailes , David G. Barnes , Christopher J. Fluke

In this study, we have developed a parallel version of the random time simulation algorithm. Firstly, we gave a rigorous basis of the random time description of the stochastic process of chemical reaction network time evolution. And then we…

Molecular Networks · Quantitative Biology 2021-03-02 Chuanbo Liu , Jin Wang

Computational intensity and sequential nature of estimation techniques for Bayesian methods in statistics and machine learning, combined with their increasing applications for big data analytics, necessitate both the identification of…

Computation · Statistics 2015-03-02 Alireza S. Mahani , Mansour T. A. Sharabiani

Gaussian process regression is a classical kernel method for function estimation and data interpolation. In large data applications, computational costs can be reduced using low-rank or sparse approximations of the kernel. This paper…

Numerical Analysis · Mathematics 2024-10-04 Daniel Sanz-Alonso , Ruiyi Yang

Recently, there has been a growing interest for mixed-categorical meta-models based on Gaussian process (GP) surrogates. In this setting, several existing approaches use different strategies either by using continuous kernels (e.g.,…

Optimization and Control · Mathematics 2024-01-25 P. Saves , Y. Diouane , N. Bartoli , T. Lefebvre , J. Morlier
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