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Gaussian processes are rich distributions over functions, with generalization properties determined by a kernel function. When used for long-range extrapolation, predictions are particularly sensitive to the choice of kernel parameters. It…

Machine Learning · Statistics 2018-02-05 Phillip A. Jang , Andrew E. Loeb , Matthew B. Davidow , Andrew Gordon Wilson

Gaussian processes are arguably the most important class of spatiotemporal models within machine learning. They encode prior information about the modeled function and can be used for exact or approximate Bayesian learning. In many…

Discrete mixture models are one of the most successful approaches for density estimation. Under a Bayesian nonparametric framework, Dirichlet process location-scale mixture of Gaussian kernels is the golden standard, both having nice…

Methodology · Statistics 2013-12-02 Antonio Canale , Bruno Scarpa

It has long been known that a single-layer fully-connected neural network with an i.i.d. prior over its parameters is equivalent to a Gaussian process (GP), in the limit of infinite network width. This correspondence enables exact Bayesian…

Learning precise surrogate models of complex computer simulations and physical machines often require long-lasting or expensive experiments. Furthermore, the modeled physical dependencies exhibit nonlinear and nonstationary behavior.…

Machine Learning · Computer Science 2023-03-20 Matthias Bitzer , Mona Meister , Christoph Zimmer

Multi-output regression models must exploit dependencies between outputs to maximise predictive performance. The application of Gaussian processes (GPs) to this setting typically yields models that are computationally demanding and have…

Machine Learning · Statistics 2019-02-27 James Requeima , Will Tebbutt , Wessel Bruinsma , Richard E. Turner

Recent advances in Deep Gaussian Processes (DGPs) show the potential to have more expressive representation than that of traditional Gaussian Processes (GPs). However, there exists a pathology of deep Gaussian processes that their learning…

Machine Learning · Computer Science 2020-12-22 Anh Tong , Jaesik Choi

We present a novel scheme to accurately predict atomic forces as vector quantities, rather than sets of scalar components, by Gaussian Process (GP) Regression. This is based on matrix-valued kernel functions, on which we impose the…

Chemical Physics · Physics 2017-06-14 Aldo Glielmo , Peter Sollich , Alessandro De Vita

Inference in popular nonparametric Bayesian models typically relies on sampling or other approximations. This paper presents a general methodology for constructing novel tractable nonparametric Bayesian methods by applying the kernel trick…

Machine Learning · Statistics 2011-08-15 Ferenc Huszár , Simon Lacoste-Julien

Modelling of multivariate densities is a core component in many signal processing, pattern recognition and machine learning applications. The modelling is often done via Gaussian mixture models (GMMs), which use computationally expensive…

Mathematical Software · Computer Science 2018-05-10 Conrad Sanderson , Ryan Curtin

Gaussian processes scale prohibitively with the size of the dataset. In response, many approximation methods have been developed, which inevitably introduce approximation error. This additional source of uncertainty, due to limited…

Machine Learning · Computer Science 2023-10-11 Jonathan Wenger , Geoff Pleiss , Marvin Pförtner , Philipp Hennig , John P. Cunningham

Gaussian processes (GP) are a versatile tool in machine learning and computational science. We here consider the case of multi-output Gaussian processes (MOGP) and present low-rank approaches for efficiently computing the posterior mean of…

Numerical Analysis · Mathematics 2025-05-01 Sebastian Esche , Martin Stoll

Bayesian optimization with Gaussian processes (GP) is commonly used to optimize black-box functions. The Mat\'ern and the Radial Basis Function (RBF) covariance functions are used frequently, but they do not make any assumptions about the…

Machine Learning · Computer Science 2025-06-23 Huy Hoang Nguyen , Han Zhou , Matthew B. Blaschko , Aleksei Tiulpin

We present a principled study on defining Gaussian processes (GPs) with inputs on the product of directional manifolds. A circular kernel is first presented according to the von Mises distribution. Based thereon, the hypertoroidal von Mises…

Machine Learning · Computer Science 2024-06-19 Ziyu Cao , Kailai Li

Accurate determination of fuel properties of complex mixtures over a wide range of pressure and temperature conditions is essential to utilizing alternative fuels. The present work aims to construct cheap-to-compute machine learning (ML)…

Machine Learning · Statistics 2021-10-19 Rodolfo S. M. Freitas , Ágatha P. F. Lima , Cheng Chen , Fernando A. Rochinha , Daniel Mira , Xi Jiang

Kernel design for Multi-output Gaussian Processes (MOGP) has received increased attention recently. In particular, the Multi-Output Spectral Mixture kernel (MOSM) arXiv:1709.01298 approach has been praised as a general model in the sense…

Machine Learning · Statistics 2022-02-21 Matías Altamirano , Felipe Tobar

Density estimation represents one of the most successful applications of Bayesian nonparametrics. In particular, Dirichlet process mixtures of normals are the gold standard for density estimation and their asymptotic properties have been…

Statistics Theory · Mathematics 2015-07-02 Antonio Canale , Pierpaolo De Blasi

Accurate learning of system dynamics is becoming increasingly crucial for advanced control and decision-making in engineering. However, real-world systems often exhibit multiple channels and highly nonlinear transition dynamics, challenging…

Machine Learning · Statistics 2025-10-20 Tengjie Zheng , Jilan Mei , Di Wu , Lin Cheng , Shengping Gong

Deep Gaussian Process (DGP) as a model prior in Bayesian learning intuitively exploits the expressive power in function composition. DGPs also offer diverse modeling capabilities, but inference is challenging because marginalization in…

Machine Learning · Computer Science 2022-08-02 Chi-Ken Lu , Patrick Shafto

Gaussian Process Latent Variable Model (GPLVM) is a flexible framework to handle uncertain inputs in Gaussian Processes (GPs) and incorporate GPs as components of larger graphical models. Nonetheless, the standard GPLVM variational…