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Kernel-based models such as kernel ridge regression and Gaussian processes are ubiquitous in machine learning applications for regression and optimization. It is well known that a major downside for kernel-based models is the high…

Machine Learning · Computer Science 2022-06-22 Sattar Vakili , Jonathan Scarlett , Da-shan Shiu , Alberto Bernacchia

Gaussian process (GP) models provide a powerful tool for prediction but are computationally prohibitive using large data sets. In such scenarios, one has to resort to approximate methods. We derive an approximation based on a composite…

Machine Learning · Statistics 2018-02-02 Xiuming Liu , Dave Zachariah , Edith C. H. Ngai

Gaussian processes (GPs) are powerful but computationally expensive machine learning models, requiring an estimate of the kernel covariance matrix for every prediction. In large and complex domains, such as graphs, sets, or images, the…

Machine Learning · Computer Science 2022-04-22 Alessandro Tibo , Thomas Dyhre Nielsen

Kernel models of potential energy surfaces (PES) for polyatomic molecules are often restricted by a specific choice of the kernel function. This can be avoided by optimizing the complexity of the kernel function. For regression problems…

Chemical Physics · Physics 2023-05-02 Jun Dai , Roman V. Krems

Successive Halving is a popular algorithm for hyperparameter optimization which allocates exponentially more resources to promising candidates. However, the algorithm typically relies on intermediate performance values to make resource…

Machine Learning · Computer Science 2025-08-21 Jihao Andreas Lin , Nicolas Mayoraz , Steffen Rendle , Dima Kuzmin , Emil Praun , Berivan Isik

In this paper, we study the problem of sparse multiple kernel learning (MKL), where the goal is to efficiently learn a combination of a fixed small number of kernels from a large pool that could lead to a kernel classifier with a small…

Machine Learning · Computer Science 2013-02-05 Rong Jin , Tianbao Yang , Mehrdad Mahdavi

A key task in AutoML is to model learning curves of machine learning models jointly as a function of model hyper-parameters and training progression. While Gaussian processes (GPs) are suitable for this task, na\"ive GPs require…

Machine Learning · Computer Science 2024-10-15 Jihao Andreas Lin , Sebastian Ament , Maximilian Balandat , Eytan Bakshy

Automating statistical modelling is a challenging problem in artificial intelligence. The Automatic Statistician takes a first step in this direction, by employing a kernel search algorithm with Gaussian Processes (GP) to provide…

Machine Learning · Statistics 2018-02-15 Hyunjik Kim , Yee Whye Teh

The Gaussian process (GP) is a nonparametric prior distribution over functions indexed by time, space, or other high-dimensional index set. The GP is a flexible model yet its limitation is given by its very nature: it can only model…

Machine Learning · Statistics 2019-07-15 Gonzalo Rios , Felipe Tobar

In probabilstic supervised learning of an input-output relationship - as a sample function of a Gaussian Process (GP) - priors are typically specified for the hyperparameters of the kernel that parametrises the covariance function of the…

Machine Learning · Statistics 2026-05-27 Kane Warrior , Dalia Chakrabarty

This article proposes an efficient numerical method for solving nonlinear partial differential equations (PDEs) based on sparse Gaussian processes (SGPs). Gaussian processes (GPs) have been extensively studied for solving PDEs by…

Numerical Analysis · Mathematics 2023-08-09 Rui Meng , Xianjin Yang

Scalable Gaussian process (GP) inference is essential for sequential decision-making tasks, yet improving GP scalability remains a challenging problem with many open avenues of research. This paper focuses on iterative GPs, where iterative…

Machine Learning · Computer Science 2025-11-21 Alan Yufei Dong , Jihao Andreas Lin , José Miguel Hernández-Lobato

We revisit the Gaussian process model with spherical harmonic features and study connections between the associated RKHS, its eigenstructure and deep models. Based on this, we introduce a new class of kernels which correspond to deep models…

Machine Learning · Statistics 2023-03-29 Stefanos Eleftheriadis , Dominic Richards , James Hensman

The class of Gaussian Process (GP) methods for Temporal Difference learning has shown promise for data-efficient model-free Reinforcement Learning. In this paper, we consider a recent variant of the GP-SARSA algorithm, called Sparse…

Machine Learning · Computer Science 2018-11-20 John Martin , Brendan Englot

The Hawkes process (HP) has been widely applied to modeling self-exciting events including neuron spikes, earthquakes and tweets. To avoid designing parametric triggering kernel and to be able to quantify the prediction confidence, the…

Machine Learning · Computer Science 2021-02-05 Rui Zhang , Christian Walder , Marian-Andrei Rizoiu

We introduce a framework and early results for massively scalable Gaussian processes (MSGP), significantly extending the KISS-GP approach of Wilson and Nickisch (2015). The MSGP framework enables the use of Gaussian processes (GPs) on…

Machine Learning · Computer Science 2015-11-06 Andrew Gordon Wilson , Christoph Dann , Hannes Nickisch

Although Gaussian processes (GPs) with deep kernels have been successfully used for meta-learning in regression tasks, its uncertainty estimation performance can be poor. We propose a meta-learning method for calibrating deep kernel GPs for…

Machine Learning · Statistics 2023-12-14 Tomoharu Iwata , Atsutoshi Kumagai

In applied Bayesian inference scenarios, users may have access to a large number of pre-existing model evaluations, for example from maximum-a-posteriori (MAP) optimization runs. However, traditional approximate inference techniques make…

Machine Learning · Statistics 2025-07-24 Chengkun Li , Grégoire Clarté , Martin Jørgensen , Luigi Acerbi

We propose a novel online Gaussian process (GP) model that is capable of capturing long-term memory in sequential data in an online learning setting. Our model, Online HiPPO Sparse Variational Gaussian Process (OHSVGP), leverages the HiPPO…

Machine Learning · Computer Science 2025-09-30 Wenlong Chen , Naoki Kiyohara , Harrison Bo Hua Zhu , Jacob Curran-Sebastian , Samir Bhatt , Yingzhen Li

Modeling sequential data has become more and more important in practice. Some applications are autonomous driving, virtual sensors and weather forecasting. To model such systems so called recurrent models are used. In this article we…

Machine Learning · Statistics 2017-11-21 Roman Föll , Bernard Haasdonk , Markus Hanselmann , Holger Ulmer