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Model selection in Gaussian processes scales prohibitively with the size of the training dataset, both in time and memory. While many approximations exist, all incur inevitable approximation error. Recent work accounts for this error in the…

机器学习 · 计算机科学 2025-07-08 Jonathan Wenger , Kaiwen Wu , Philipp Hennig , Jacob R. Gardner , Geoff Pleiss , John P. Cunningham

Challenging computer vision tasks, in particular semantic image segmentation, require large training sets of annotated images. While obtaining the actual images is often unproblematic, creating the necessary annotation is a tedious and…

计算机视觉与模式识别 · 计算机科学 2015-04-29 Alexander Kolesnikov , Christoph H. Lampert

Identifying dynamical system (DS) is a vital task in science and engineering. Traditional methods require numerous calls to the DS solver, rendering likelihood-based or least-squares inference frameworks impractical. For efficient parameter…

统计计算 · 统计学 2024-09-19 Ying Zhou , Jinglai Li , Xiang Zhou , Hongqiao Wang

Probabilistic machine learning models are distinguished by their ability to integrate prior knowledge of noise statistics, smoothness parameters, and training data uncertainty. A common approach involves modeling data with Gaussian…

统计计算 · 统计学 2025-07-31 Cristian A. Galvis-Florez , Ahmad Farooq , Simo Särkkä

We present a computationally-efficient strategy to initialise the hyperparameters of a Gaussian process (GP) avoiding the computation of the likelihood function. Our strategy can be used as a pretraining stage to find initial conditions for…

机器学习 · 计算机科学 2023-04-27 Felipe Tobar , Elsa Cazelles , Taco de Wolff

Modern cosmological analyses constrain physical parameters using Markov Chain Monte Carlo (MCMC) or similar sampling techniques. Oftentimes, these techniques are computationally expensive to run and require up to thousands of CPU hours to…

宇宙学与河外天体物理 · 物理学 2019-09-25 Thomas McClintock , Eduardo Rozo

Gaussian stochastic process emulation is a powerful tool for approximating computationally intensive computer models. However, estimation of parameters in the GaSP emulator is a challenging task. No closed-form estimator is available, and…

统计计算 · 统计学 2026-05-06 Mengyang Gu , Jesús Palomo , James O. Berger

The Gaussian process (GP) regression model is a widely employed surrogate modeling technique for computer experiments, offering precise predictions and statistical inference for the computer simulators that generate experimental data.…

统计方法学 · 统计学 2024-04-02 Lulu Kang , Yuanxing Cheng , Yiwei Wang , Chun Liu

In this paper, we unify popular non-rigid registration methods for point sets and surfaces under our general framework, GiNGR. GiNGR builds upon Gaussian Process Morphable Models (GPMM) and hence separates modeling the deformation prior…

计算机视觉与模式识别 · 计算机科学 2022-03-21 Dennis Madsen , Jonathan Aellen , Andreas Morel-Forster , Thomas Vetter , Marcel Lüthi

We demonstrate how the Gaussian process regression approach can be used to efficiently reconstruct free energy surfaces from umbrella sampling simulations. By making a prior assumption of smoothness and taking account of the sampling noise…

统计力学 · 物理学 2014-07-25 Thomas Stecher , Noam Bernstein , Gábor Csányi

Advances in hyperspectral imaging modes including electron energy loss spectroscopy (EELS) in scanning transmission electron microscopy (STEM) bring forth the challenges of exploratory and subsequently physics-based analysis of…

计算物理 · 物理学 2020-05-22 Sergei V. Kalinin , Andrew R. Lupini , Rama K. Vasudevan , Maxim Ziatdinov

We implemented a geometry optimizer based on Gaussian process regression (GPR) to find minimum structures on potential energy surfaces. We tested both a two times differentiable form of the Mat\'{e}rn kernel and the squared exponential…

化学物理 · 物理学 2020-09-15 Alexander Denzel , Johannes Kästner

Acquiring a substantial number of data points for training accurate machine learning (ML) models is a big challenge in scientific fields where data collection is resource-intensive. Here, we propose a novel approach for constructing a…

机器学习 · 计算机科学 2025-05-07 M. R. Mahani , Igor A. Nechepurenko , Yasmin Rahimof , Andreas Wicht

We propose a few-shot learning method for spatial regression. Although Gaussian processes (GPs) have been successfully used for spatial regression, they require many observations in the target task to achieve a high predictive performance.…

机器学习 · 统计学 2020-10-12 Tomoharu Iwata , Yusuke Tanaka

Gaussian process models are commonly used as emulators for computer experiments. However, developing a Gaussian process emulator can be computationally prohibitive when the number of experimental samples is even moderately large. Local…

统计方法学 · 统计学 2018-09-26 Chih-Li Sung , Robert B. Gramacy , Benjamin Haaland

In simulations of partial differential equations using particle-in-cell (PIC) methods, it is often advantageous to resample the particle distribution function to increase simulation accuracy, reduce compute cost, and/or avoid numerical…

We apply for the first time Gaussian Process Regression (GPR) as a foreground removal technique in the context of single-dish, low redshift HI intensity mapping, and present an open-source Python toolkit for doing so. We use MeerKAT and…

宇宙学与河外天体物理 · 物理学 2021-10-05 Paula S. Soares , Catherine A. Watkinson , Steven Cunnington , Alkistis Pourtsidou

We developed an interface program between a program suite for an automated search of chemical reaction pathways, GRRM, and a program package of semiempirical methods, MOPAC. A two-step structural search is proposed as an application of this…

化学物理 · 物理学 2016-02-11 Yukihiro Ota , Sergi Ruiz-Barragan , Masahiko Machida , Motoyuki Shiga

Probabilistic models are often used to make predictions in regions of the data space where no observations are available, but it is not always clear whether such predictions are well-informed by previously seen data. In this paper, we…

机器学习 · 统计学 2026-02-24 Kurt Butler , Guanchao Feng , Tong Chen , Petar Djuric

This paper presents a real-time capable algorithm for the learning of Gaussian Processes (GP) for submodels. It extends an existing recursive Gaussian Process (RGP) algorithm which requires a measurable output. In many applications,…

系统与控制 · 电气工程与系统科学 2025-11-24 Ricus Husmann , Sven Weishaupt , Harald Aschemann