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Gaussian process (GP) regression is a popular surrogate modeling tool for computer simulations in engineering and scientific domains. However, it often struggles with high computational costs and low prediction accuracy when the simulation…

机器学习 · 计算机科学 2025-02-25 Lulu Kang , Minshen Xu

While kernel methods and Graph Neural Networks offer complementary strengths, integrating the two has posed challenges in efficiency and scalability. The Graph Neural Tangent Kernel provides a theoretical bridge by interpreting GNNs through…

机器学习 · 计算机科学 2025-07-17 Lin Wang , Shijie Wang , Sirui Huang , Qing Li

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…

统计方法学 · 统计学 2020-10-02 Hossein Mohammadi , Peter Challenor , Marc Goodfellow , Daniel Williamson

Gaussian processes (GPs) can provide a principled approach to uncertainty quantification with easy-to-interpret kernel hyperparameters, such as the lengthscale, which controls the correlation distance of function values. However, selecting…

A recent series of theoretical works showed that the dynamics of neural networks with a certain initialisation are well-captured by kernel methods. Concurrent empirical work demonstrated that kernel methods can come close to the performance…

机器学习 · 计算机科学 2021-06-11 Maria Refinetti , Sebastian Goldt , Florent Krzakala , Lenka Zdeborová

Gaussian process (GP) is a Bayesian model which provides several advantages for regression tasks in machine learning such as reliable quantitation of uncertainty and improved interpretability. Their adoption has been precluded by their…

机器学习 · 计算机科学 2023-06-26 Jonathan Parkinson , Wei Wang

Neural networks and Gaussian processes are complementary in their strengths and weaknesses. Having a better understanding of their relationship comes with the promise to make each method benefit from the strengths of the other. In this…

Designing categorical kernels is a major challenge for Gaussian process regression with continuous and categorical inputs. Despite previous studies, it is difficult to identify a preferred method, either because the evaluation metrics, the…

机器学习 · 统计学 2025-10-03 Raphaël Carpintero Perez , Sébastien Da Veiga , Josselin Garnier

Estimating causal effects in quasi-experiments with spatio-temporal panel data often requires adjusting for unmeasured confounding that varies across space and time. Gaussian Processes (GPs) offer a flexible, nonparametric modeling approach…

统计方法学 · 统计学 2025-07-08 Sofia L. Vega , Rachel C. Nethery

Gaussian processes offers a convenient way to perform nonparametric reconstructions of observational data assuming only a kernel which describes the covariance between neighbouring points in a data set. We approach the ambiguity in the…

宇宙学与河外天体物理 · 物理学 2021-08-17 Reginald Christian Bernardo , Jackson Levi Said

We investigate the connections between sparse approximation methods for making kernel methods and Gaussian processes (GPs) scalable to large-scale data, focusing on the Nystr\"om method and the Sparse Variational Gaussian Processes (SVGP).…

机器学习 · 统计学 2023-02-09 Veit Wild , Motonobu Kanagawa , Dino Sejdinovic

Double-descent curves in neural networks describe the phenomenon that the generalisation error initially descends with increasing parameters, then grows after reaching an optimal number of parameters which is less than the number of data…

机器学习 · 统计学 2023-05-29 Ouns El Harzli , Bernardo Cuenca Grau , Guillermo Valle-Pérez , Ard A. Louis

We propose a nested Gaussian process (nGP) as a locally adaptive prior for Bayesian nonparametric regression. Specified through a set of stochastic differential equations (SDEs), the nGP imposes a Gaussian process prior for the function's…

统计方法学 · 统计学 2012-01-24 Bin Zhu , David B. Dunson

In decision-making systems, it is important to have classifiers that have calibrated uncertainties, with an optimisation objective that can be used for automated model selection and training. Gaussian processes (GPs) provide uncertainty…

机器学习 · 统计学 2020-03-05 Vincent Dutordoir , Mark van der Wilk , Artem Artemev , James Hensman

Recent work has established the equivalence between deep neural networks and Gaussian processes (GPs), resulting in so-called neural network Gaussian processes (NNGPs). The behaviour of these models depends on the initialisation of the…

机器学习 · 计算机科学 2020-07-15 Arnu Pretorius , Herman Kamper , Steve Kroon

Deep Gaussian processes (DGPs) provide a Bayesian non-parametric alternative to standard parametric deep learning models. A DGP is formed by stacking multiple GPs resulting in a well-regularized composition of functions. The Bayesian…

机器学习 · 统计学 2018-06-06 Vinayak Kumar , Vaibhav Singh , P. K. Srijith , Andreas Damianou

Deep Gaussian Processes (DGPs) combine the expressiveness of Deep Neural Networks (DNNs) with quantified uncertainty of Gaussian Processes (GPs). Expressive power and intractable inference both result from the non-Gaussian distribution over…

机器学习 · 计算机科学 2020-02-26 Chi-Ken Lu , Scott Cheng-Hsin Yang , Xiaoran Hao , Patrick Shafto

Standard infinite-width limits of neural networks sacrifice the ability for intermediate layers to learn representations from data. Recent work (A theory of representation learning gives a deep generalisation of kernel methods, Yang et al.…

机器学习 · 统计学 2024-02-27 Edward Milsom , Ben Anson , Laurence Aitchison

Not being able to understand and predict the behavior of deep learning systems makes it hard to decide what architecture and algorithm to use for a given problem. In science and engineering, modeling is a methodology used to understand…

机器学习 · 计算机科学 2023-09-15 Michael Y. Li , Erin Grant , Thomas L. Griffiths

In this paper we investigate a link between state- space models and Gaussian Processes (GP) for time series modeling and forecasting. In particular, several widely used state- space models are transformed into continuous time form and…

机器学习 · 统计学 2016-10-27 Alexander Grigorievskiy , Juha Karhunen