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Many scientific phenomena are studied using computer experiments consisting of multiple runs of a computer model while varying the input settings. Gaussian processes (GPs) are a popular tool for the analysis of computer experiments,…

Methodology · Statistics 2021-07-21 Matthias Katzfuss , Joseph Guinness , Earl Lawrence

Gaussian Processes have become an indispensable part of the spatial statistician's toolbox but are unsuitable for analyzing large dataset because of the significant time and memory needed to fit the associated model exactly. Vecchia…

Computation · Statistics 2025-07-18 Zachary James , Joseph Guinness

Gaussian processes are flexible, probabilistic, non-parametric models widely used in machine learning and statistics. However, their scalability to large data sets is limited by computational constraints. To overcome these challenges, we…

Machine Learning · Statistics 2026-05-25 Tim Gyger , Reinhard Furrer , Fabio Sigrist

Gaussian Processes (GPs) are vital for modeling and predicting irregularly-spaced, large geospatial datasets. However, their computations often pose significant challenges in large-scale applications. One popular method to approximate GPs…

Computation · Statistics 2025-01-24 Qilong Pan , Sameh Abdulah , Marc G. Genton , Ying Sun

Gaussian processes (GPs) are flexible, probabilistic, nonparametric models widely used in fields such as spatial statistics and machine learning. A drawback of Gaussian processes is their computational cost, with $O(N^3)$ time and $O(N^2)$…

Computation · Statistics 2026-05-20 Filippo Rambelli , Fabio Sigrist

Gaussian processes (GPs) are commonly used for geospatial analysis, but they suffer from high computational complexity when dealing with massive data. For instance, the log-likelihood function required in estimating the statistical model…

Computation · Statistics 2024-04-04 Qilong Pan , Sameh Abdulah , Marc G. Genton , David E. Keyes , Hatem Ltaief , Ying Sun

Gaussian processes (GPs) are commonly used as models for functions, time series, and spatial fields, but they are computationally infeasible for large datasets. Focusing on the typical setting of modeling data as a GP plus an additive noise…

Methodology · Statistics 2020-12-22 Matthias Katzfuss , Joseph Guinness

Computer models (simulators) are vital tools for investigating physical processes. Despite their utility, the prohibitive run-time of simulators hinders their direct application for uncertainty quantification. Gaussian process emulators…

Computation · Statistics 2024-11-25 Conor Crilly , Oliver Johnson , Alexander Lewis , Jonathan Rougier

Gaussian process (GP) emulators have become essential tools for approximating complex simulators, significantly reducing computational demands in optimization, sensitivity analysis, and model calibration. While traditional GP emulators…

Computation · Statistics 2026-03-26 Deyu Ming , Daniel Williamson

Computer models are used as replacements for physical experiments in a large variety of applications. Nevertheless, direct use of the computer model for the ultimate scientific objective is often limited by the complexity and cost of the…

Methodology · Statistics 2019-07-03 Sonja Surjanovic , William J. Welch

Many computer simulations are stochastic and exhibit input dependent noise. In such situations, heteroskedastic Gaussian processes (hetGPs) make ideal surrogates as they estimate a latent, non-constant variance. However, existing hetGP…

Methodology · Statistics 2026-03-03 Parul V. Patil , Robert B. Gramacy , Cayelan C. Carey , R. Quinn Thomas

Emulating computationally intensive scientific simulations is crucial for enabling uncertainty quantification, optimization, and informed decision-making at scale. Gaussian Processes (GPs) offer a flexible and data-efficient foundation for…

Distributed, Parallel, and Cluster Computing · Computer Science 2026-03-26 Qilong Pan , Sameh Abdulah , Mustafa Abduljabbar , Hatem Ltaief , Andreas Herten , Mathis Bode , Matthew Pratola , Arindam Fadikar , Marc G. Genton , David E. Keyes , Ying Sun

In many real-world applications we are interested in approximating costly functions that are analytically unknown, e.g. complex computer codes. An emulator provides a fast approximation of such functions relying on a limited number of…

Methodology · Statistics 2020-10-02 Hossein Mohammadi , Peter Challenor , Marc Goodfellow , Daniel Williamson

Latent Gaussian process (GP) models are flexible probabilistic non-parametric function models. Vecchia approximations are accurate approximations for GPs to overcome computational bottlenecks for large data, and the Laplace approximation is…

Methodology · Statistics 2024-12-09 Pascal Kündig , Fabio Sigrist

Gaussian processes (GPs) are highly flexible function estimators used for geospatial analysis, nonparametric regression, and machine learning, but they are computationally infeasible for large datasets. Vecchia approximations of GPs have…

Methodology · Statistics 2020-12-22 Matthias Katzfuss , Joseph Guinness , Wenlong Gong , Daniel Zilber

Deep Gaussian processes (DGPs) upgrade ordinary GPs through functional composition, in which intermediate GP layers warp the original inputs, providing flexibility to model non-stationary dynamics. Two DGP regimes have emerged in recent…

Computation · Statistics 2022-08-16 Annie Sauer , Andrew Cooper , Robert B. Gramacy

Scalable surrogate models enable efficient emulation of computer models (or simulators), particularly when dealing with large ensembles of runs. While Gaussian process (GP) models are commonly employed for emulation, they face limitations…

Methodology · Statistics 2025-10-07 Grant Hutchings , Derek Bingham , Kellin Rumsey , Earl Lawrence

Bayesian optimization is a technique for optimizing black-box target functions. At the core of Bayesian optimization is a surrogate model that predicts the output of the target function at previously unseen inputs to facilitate the…

Machine Learning · Computer Science 2022-03-04 Felix Jimenez , Matthias Katzfuss

Multi-output Gaussian process regression has become an important tool in uncertainty quantification, for building emulators of computationally expensive simulators, and other areas such as multi-task machine learning. We present a holistic…

Methodology · Statistics 2025-02-17 Daria Semochkina , Samuel E. Jackson , David C. Woods

Gaussian Processes (GPs) are widely used to model dependencies in spatial statistics and machine learning. However, exact inference is computationally intractable for GP regression, with a time complexity of $O(n^3)$. The Vecchia…

Statistics Theory · Mathematics 2026-03-12 Botond Szabo , Yichen Zhu
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