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Despite a large corpus of recent work on scaling up Gaussian processes, a stubborn trade-off between computational speed, prediction and uncertainty quantification accuracy, and customizability persists. This is because the vast majority of…

Machine Learning · Computer Science 2025-12-09 Marcus M. Noack , Mark D. Risser , Hengrui Luo , Vardaan Tekriwal , Ronald J. Pandolfi

Bayesian optimization is a popular formalism for global optimization, but its computational costs limit it to expensive-to-evaluate functions. A competing, computationally more efficient, global optimization framework is optimistic…

Machine Learning · Computer Science 2022-09-05 Julia Grosse , Cheng Zhang , Philipp Hennig

Sequential model-based optimization (SMBO) approaches are algorithms for solving problems that require computationally or otherwise expensive function evaluations. The key design principle of SMBO is a substitution of the true objective…

Neural and Evolutionary Computing · Computer Science 2020-04-01 Jakob Bossek , Carola Doerr , Pascal Kerschke

Bayesian optimization (BO) is a sample-efficient global optimization algorithm for black-box functions which are expensive to evaluate. Existing literature on model based optimization in conditional parameter spaces are usually built on…

Machine Learning · Statistics 2020-10-08 Xingchen Ma , Matthew B. Blaschko

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

In this work we introduce a reduced-rank algorithm for Gaussian process regression. Our numerical scheme converts a Gaussian process on a user-specified interval to its Karhunen-Lo\`eve expansion, the $L^2$-optimal reduced-rank…

Computation · Statistics 2022-08-25 Philip Greengard , Michael O'Neil

We propose a novel approach to computationally efficient GP training based on the observation that square-exponential (SE) covariance matrices contain several off-diagonal entries extremely close to zero. We construct a principled procedure…

Machine Learning · Computer Science 2026-01-28 Emily C. Ehrhardt , Felipe Tobar

We introduce a scalable Gaussian process (GP) framework with deep product kernels for data-driven learning of parametrized spatio-temporal fields over fixed or parameter-dependent domains. The proposed framework learns a continuous…

Machine Learning · Computer Science 2026-03-03 Srinath Dama , Prasanth B. Nair

We address the problem of learning observation models end-to-end for estimation. Robots operating in partially observable environments must infer latent states from multiple sensory inputs using observation models that capture the joint…

Robotics · Computer Science 2022-04-12 Paloma Sodhi , Eric Dexheimer , Mustafa Mukadam , Stuart Anderson , Michael Kaess

This paper introduces a numerical method to enclose the global minimum of a nonlinear function subject to simple bounds on the variables. Using interval analysis, coupled with the computational power and architecture of graphics processing…

Numerical Analysis · Mathematics 2026-04-15 Guanglu Zhang , Qihang Shan , Jonathan Cagan

Bayesian optimization is an effective methodology for the global optimization of functions with expensive evaluations. It relies on querying a distribution over functions defined by a relatively cheap surrogate model. An accurate model for…

Genetic Algorithms (GA) are a class of metaheuristic global optimization methods inspired by the process of natural selection among individuals in a population. Despite their widespread use, a comprehensive theoretical analysis of these…

Optimization and Control · Mathematics 2025-02-24 Giacomo Borghi , Lorenzo Pareschi

Small data learning problems are characterized by a significant discrepancy between the limited amount of response variable observations and the large feature space dimension. In this setting, the common learning tools struggle to identify…

Machine Learning · Computer Science 2023-10-31 Edoardo Vecchi , Davide Bassetti , Fabio Graziato , Lukas Pospisil , Illia Horenko

Bayesian optimization (BO) is a global optimization strategy designed to find the minimum of an expensive black-box function, typically defined on a compact subset of $\mathcal{R}^d$, by using a Gaussian process (GP) as a surrogate model…

Machine Learning · Statistics 2018-09-24 Eero Siivola , Aki Vehtari , Jarno Vanhatalo , Javier González , Michael Riis Andersen

Gaussian processes (GPs) are generally regarded as the gold standard surrogate model for emulating computationally expensive computer-based simulators. However, the problem of training GPs as accurately as possible with a minimum number of…

Methodology · Statistics 2024-11-26 Hossein Mohammadi , Peter Challenor

Bayesian optimization (BO) is an effective technique for black-box optimization. However, its applicability is typically limited to moderate-budget problems due to the cubic complexity of fitting the Gaussian process (GP) surrogate model.…

Machine Learning · Statistics 2025-10-13 Qiyu Wei , Haowei Wang , Zirui Cao , Songhao Wang , Richard Allmendinger , Mauricio A Álvarez

Graphical User Interface (GUI) task automation constitutes a critical frontier in artificial intelligence research. While effective GUI agents synergistically integrate planning and grounding capabilities, current methodologies exhibit two…

Artificial Intelligence · Computer Science 2025-11-17 Yuan Zhao , Hualei Zhu , Tingyu Jiang , Shen Li , Xiaohang Xu , Hao Henry Wang

Variational inference techniques based on inducing variables provide an elegant framework for scalable posterior estimation in Gaussian process (GP) models. Besides enabling scalability, one of their main advantages over sparse…

Machine Learning · Statistics 2021-02-24 Simone Rossi , Markus Heinonen , Edwin V. Bonilla , Zheyang Shen , Maurizio Filippone

Epidemiological models must be calibrated to ground truth for downstream tasks such as producing forward projections or running what-if scenarios. The meaning of calibration changes in case of a stochastic model since output from such a…

Applications · Statistics 2023-09-15 Arindam Fadikar , Mickael Binois , Nicholson Collier , Abby Stevens , Kok Ben Toh , Jonathan Ozik

Convolved Gaussian Process (CGP) is able to capture the correlations not only between inputs and outputs but also among the outputs. This allows a superior performance of using CGP than standard Gaussian Process (GP) in the modelling of…

Neural and Evolutionary Computing · Computer Science 2017-09-14 Gang Cao , Edmund M-K Lai , Fakhrul Alam