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We propose a novel training objective for GPs constructed using lower-dimensional linear projections of the data, referred to as \emph{projected likelihood} (PL). We provide a closed-form expression for the information loss related to the…

Machine Learning · Computer Science 2026-01-28 Elsa Cazelles , Felipe Tobar

We propose a novel sparse spectrum approximation of Gaussian process (GP) tailored for Bayesian optimization. Whilst the current sparse spectrum methods provide desired approximations for regression problems, it is observed that this…

Machine Learning · Computer Science 2020-06-09 Ang Yang , Cheng Li , Santu Rana , Sunil Gupta , Svetha Venkatesh

Bayesian hyperparameter optimization relies heavily on Gaussian Process (GP) surrogates, due to robust distributional posteriors and strong performance on limited training samples. GPs however underperform in categorical hyperparameter…

Machine Learning · Computer Science 2025-09-23 Riccardo Doyle

We explore the performance of a statistical learning technique based on Gaussian Process (GP) regression as an efficient non-parametric method for constructing multi-dimensional potential energy surfaces (PES) for polyatomic molecules.…

Chemical Physics · Physics 2016-11-23 Jie Cui , Roman V. Krems

Computational models of complex physical systems often rely on simplifying assumptions which inevitably introduce model error, with consequent predictive errors. Given data on model observables, the estimation of parameterized model-error…

Methodology · Statistics 2026-02-23 Mridula Kuppa , Khachik Sargsyan , Marco Panesi , Habib N. Najm

Deep Gaussian Processes (DGPs) are multi-layer, flexible extensions of Gaussian processes but their training remains challenging. Sparse approximations simplify the training but often require optimization over a large number of inducing…

Machine Learning · Statistics 2021-07-20 Ayush Jain , P. K. Srijith , Mohammad Emtiyaz Khan

Sparse variational Gaussian processes (GPs) construct tractable posterior approximations to GP models. At the core of these methods is the assumption that the true posterior distribution over training function values ${\bf f}$ and inducing…

Machine Learning · Computer Science 2025-06-27 Michalis K. Titsias

Gaussian Process (GP) models are widely utilized as surrogate models in scientific and engineering fields. However, standard GP models are limited to continuous variables due to the difficulties in establishing correlation structures for…

Machine Learning · Statistics 2025-03-05 Mingyu Pu , Songhao Wang , Haowei Wang , Szu Hui Ng

Bayesian model selection methods provide a self-consistent probabilistic framework to test the validity of competing scenarios given a set of data. We present a case study application to strong gravitational lens parametric models. Our goal…

Cosmology and Nongalactic Astrophysics · Physics 2013-04-22 Irène Balmès , Pier-Stefano Corasaniti

Model selection in Gaussian processes scales prohibitively with the size of the training dataset, both in time and memory. While many approximations exist, all incur inevitable approximation error. Recent work accounts for this error in the…

Machine Learning · Computer Science 2025-07-08 Jonathan Wenger , Kaiwen Wu , Philipp Hennig , Jacob R. Gardner , Geoff Pleiss , John P. Cunningham

A new algorithm is developed to tackle the issue of sampling non-Gaussian model parameter posterior probability distributions that arise from solutions to Bayesian inverse problems. The algorithm aims to mitigate some of the hurdles faced…

Machine Learning · Statistics 2019-11-19 Leen Alawieh , Jonathan Goodman , John B. Bell

We address the problem of continual learning in multi-task Gaussian process (GP) models for handling sequential input-output observations. Our approach extends the existing prior-posterior recursion of online Bayesian inference, i.e.\ past…

Machine Learning · Statistics 2019-11-04 Pablo Moreno-Muñoz , Antonio Artés-Rodríguez , Mauricio A. Álvarez

Gaussian processes (GPs) play an essential role in biostatistics, scientific machine learning, and Bayesian optimization for their ability to provide probabilistic predictions and model uncertainty. However, GP inference struggles to scale…

Machine Learning · Computer Science 2025-10-29 Pratik Rathore , Zachary Frangella , Sachin Garg , Shaghayegh Fazliani , Michał Dereziński , Madeleine Udell

Continuous-time state estimation is gaining in popularity due to its abilities to provide smooth solutions, handle asynchronous sensors, and interpolate between data points. While there are two main paradigms, parametric (e.g., temporal…

Robotics · Computer Science 2026-05-12 Connor Holmes , Sven Lilge , Zi Cong Guo , Frank Dellaert , Timothy D. Barfoot

Weak gravitational lensing is one of the few direct methods to map the dark-matter distribution on large scales in the Universe, and to estimate cosmological parameters. We study a Bayesian inference problem where the data covariance…

Cosmology and Nongalactic Astrophysics · Physics 2023-03-01 Martin Kilbinger , Emille E. O. Ishida , Jessi Cisewski-Kehe

Data-driven Model Predictive Control (MPC), where the system model is learned from data with machine learning, has recently gained increasing interests in the control community. Gaussian Processes (GP), as a type of statistical models, are…

Systems and Control · Computer Science 2019-10-03 Truong X. Nghiem

Machine learning has become widely used in astronomy. Gaussian Process (GP) regression in particular has been employed a number of times to fit or re-sample supernova (SN) light-curves, however by their nature typical GP models are not…

Solar and Stellar Astrophysics · Physics 2022-12-14 H. F. Stevance , A. Lee

Quantifying uncertainties in physical or engineering systems often requires a large number of simulations of the underlying computer models that are computationally intensive. Emulators or surrogate models are often used to accelerate the…

Methodology · Statistics 2021-11-11 Junda Xiong , Xin Cai , Jinglai Li

We investigate whether a Gaussian likelihood is sufficient to obtain accurate parameter constraints from a Euclid-like combined tomographic power spectrum analysis of weak lensing, galaxy clustering and their cross-correlation. Testing its…

Cosmology and Nongalactic Astrophysics · Physics 2021-03-03 Robin E. Upham , Michael L. Brown , Lee Whittaker

Maximising the information that can be extracted from weak lensing measurements is a key goal for upcoming surveys such as LSST and Euclid. This is typically achieved through statistics that are complementary to the cosmic shear two-point…

Cosmology and Nongalactic Astrophysics · Physics 2022-05-11 Christopher T. Davies , Marius Cautun , Benjamin Giblin , Baojiu Li , Joachim Harnois-Déraps , Yan-Chuan Cai
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