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In practical Bayesian optimization, we must often search over structures with differing numbers of parameters. For instance, we may wish to search over neural network architectures with an unknown number of layers. To relate performance…

Machine Learning · Statistics 2014-09-16 Kevin Swersky , David Duvenaud , Jasper Snoek , Frank Hutter , Michael A. Osborne

When the data are sparse, optimization of hyperparameters of the kernel in Gaussian process regression by the commonly used maximum likelihood estimation (MLE) criterion often leads to overfitting. We show that choosing hyperparameters (in…

Methodology · Statistics 2023-01-27 Sergei Manzhos , Manabu Ihara

Gaussian process hyperparameter optimization requires linear solves with, and log-determinants of, large kernel matrices. Iterative numerical techniques are becoming popular to scale to larger datasets, relying on the conjugate gradient…

Machine Learning · Computer Science 2022-06-22 Jonathan Wenger , Geoff Pleiss , Philipp Hennig , John P. Cunningham , Jacob R. Gardner

Gaussian process regression underpins countless academic and industrial applications of machine learning and statistics, with maximum likelihood estimation routinely used to select appropriate parameters for the covariance kernel. However,…

Statistics Theory · Mathematics 2023-04-26 Toni Karvonen , Chris J. Oates

A fundamental drawback of kernel-based statistical models is their limited scalability to large data sets, which requires resorting to approximations. In this work, we focus on the popular Gaussian kernel and on techniques to linearize…

Machine Learning · Statistics 2022-04-13 Jonas Wacker , Maurizio Filippone

Kernel matrices are ubiquitous in computational mathematics, often arising from applications in machine learning and scientific computing. In two or three spatial or feature dimensions, such problems can be approximated efficiently by a…

Numerical Analysis · Mathematics 2025-11-07 Abraham Khan , Chao Chen , Vishwas Rao , Arvind K. Saibaba

Various methods in statistical learning build on kernels considered in reproducing kernel Hilbert spaces. In applications, the kernel is often selected based on characteristics of the problem and the data. This kernel is then employed to…

Machine Learning · Statistics 2024-03-12 Paul Dommel , Alois Pichler

Spatial prediction in an arbitrary location, based on a spatial set of observations, is usually performed by Kriging, being the best linear unbiased predictor (BLUP) in a least-square sense. In order to predict a continuous surface over a…

Methodology · Statistics 2023-11-17 Henning Omre , Mina Spremić

Low-rank approximation is a common tool used to accelerate kernel methods: the $n \times n$ kernel matrix $K$ is approximated via a rank-$k$ matrix $\tilde K$ which can be stored in much less space and processed more quickly. In this work…

Data Structures and Algorithms · Computer Science 2017-11-07 Cameron Musco , David P. Woodruff

Conditional density estimation is a general framework for solving various problems in machine learning. Among existing methods, non-parametric and/or kernel-based methods are often difficult to use on large datasets, while methods based on…

Machine Learning · Statistics 2018-06-06 Hiroaki Sasaki , Aapo Hyvärinen

Kernel methods are powerful learning methodologies that allow to perform non-linear data analysis. Despite their popularity, they suffer from poor scalability in big data scenarios. Various approximation methods, including random feature…

Machine Learning · Statistics 2022-06-14 Bharath Sriperumbudur , Nicholas Sterge

Kernel means are frequently used to represent probability distributions in machine learning problems. In particular, the well known kernel density estimator and the kernel mean embedding both have the form of a kernel mean. Unfortunately,…

Machine Learning · Statistics 2015-03-03 E. Cruz Cortés , C. Scott

Probabilistic modeling of multidimensional spatiotemporal data is critical to many real-world applications. As real-world spatiotemporal data often exhibits complex dependencies that are nonstationary and nonseparable, developing effective…

Machine Learning · Statistics 2023-06-01 Mengying Lei , Aurelie Labbe , Lijun Sun

Spatial approximations have been traditionally used in spatial databases to accelerate the processing of complex geometric operations. However, approximations are typically only used in a first filtering step to determine a set of candidate…

Many real-world optimization problems require significant resources for objective function evaluations. This is a challenge to evolutionary algorithms, as it limits the number of available evaluations. One solution are surrogate models,…

Neural and Evolutionary Computing · Computer Science 2018-07-04 Martin Zaefferer , Daniel Horn

Spatial prediction requires expensive computation to invert the spatial covariance matrix it depends on and also has considerable storage needs. This work concentrates on computationally efficient algorithms for prediction using very large…

Computation · Statistics 2019-06-11 Roberto Rivera

The impact of an extreme climate event depends strongly on its geographical scale. Max-stable processes can be used for the statistical investigation of climate extremes and their spatial dependencies on a continuous area. Most existing…

Methodology · Statistics 2023-06-14 Justus Contzen , Thorsten Dickhaus , Gerrit Lohmann

Strictly proper kernel scores are well-known tool in probabilistic forecasting, while characteristic kernels have been extensively investigated in the machine learning literature. We first show that both notions coincide, so that insights…

Functional Analysis · Mathematics 2017-12-15 Ingo Steinwart , Johanna F. Ziegel

We present a kernel-based stochastic approximation (KBSA) framework for solving contextual stochastic optimization problems with differentiable objective functions. The framework only relies on system output estimates and can be applied to…

Optimization and Control · Mathematics 2026-05-26 Hao Cao , Jian-Qiang Hu , Jiaqiao Hu

The allocation problem for multivariate stratified random sampling as a problem of stochastic matrix integer mathematical programming is considered. With these aims the asymptotic normality of sample covariance matrices for each strata is…

Statistics Theory · Mathematics 2011-05-18 Jose A. Diaz-Garcia , Rogelio Ramos-Quiroga