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Gaussian processes (GPs) are a powerful tool for probabilistic inference over functions. They have been applied to both regression and non-linear dimensionality reduction, and offer desirable properties such as uncertainty estimates,…

Machine Learning · Statistics 2014-10-01 Yarin Gal , Mark van der Wilk , Carl E. Rasmussen

Methods for inference and simulation of linearly constrained Gaussian Markov Random Fields (GMRF) are computationally prohibitive when the number of constraints is large. In some cases, such as for intrinsic GMRFs, they may even be…

Methodology · Statistics 2021-06-04 David Bolin , Jonas Wallin

Very low-yield nuclear tests pose a major verification challenge for the zero-yield standard of the Comprehensive Nuclear-Test-Ban Treaty (CTBT). The zero-yield standard prohibits any explosive experiment that produces a self-sustaining…

Instrumentation and Detectors · Physics 2026-05-11 Julien de Troullioud de Lanversin , Jiehui Li , Christopher Fichtlscherer , Dongdong She , Moritz Kütt

Variational inference techniques based on inducing variables provide an elegant framework for scalable posterior estimation in Gaussian process (GP) models. Besides enabling scalability, one of their main advantages over sparse…

Machine Learning · Statistics 2021-02-24 Simone Rossi , Markus Heinonen , Edwin V. Bonilla , Zheyang Shen , Maurizio Filippone

The Gaussian Process with a deep kernel is an extension of the classic GP regression model and this extended model usually constructs a new kernel function by deploying deep learning techniques like long short-term memory networks. A…

Computational Finance · Quantitative Finance 2021-05-27 Yong Shi , Wei Dai , Wen Long , Bo Li

We show how machine learning techniques based on Bayesian inference can be used to reach new levels of realism in the computer simulation of molecular materials, focusing here on water. We train our machine-learning algorithm using…

Materials Science · Physics 2013-02-25 Albert P. Bartok , Michael J. Gillan , Frederick R. Manby , Gabor Csanyi

Sparse variational approximations are popular methods for scaling up inference and learning in Gaussian processes to larger datasets. For $N$ training points, exact inference has $O(N^3)$ cost; with $M \ll N$ features, state of the art…

Machine Learning · Statistics 2024-04-15 Talay M Cheema , Carl Edward Rasmussen

Fast scanning probe microscopy enabled via machine learning allows for a broad range of nanoscale, temporally resolved physics to be uncovered. However, such examples for functional imaging are few in number. Here, using piezoresponse force…

Sparse Gaussian processes and various extensions thereof are enabled through inducing points, that simultaneously bottleneck the predictive capacity and act as the main contributor towards model complexity. However, the number of inducing…

Machine Learning · Computer Science 2021-07-27 Anders Kirk Uhrenholt , Valentin Charvet , Bjørn Sand Jensen

Repetitive motion tasks are common in robotics, but performance can degrade over time due to environmental changes and robot wear and tear. Iterative learning control (ILC) improves performance by using information from previous iterations…

Robotics · Computer Science 2026-02-23 Unnati Nigam , Radhendushka Srivastava , Faezeh Marzbanrad , Michael Burke

We present a quadrotor dynamics Gaussian Process (GP) with gradient information that achieves real-time inference via state-space partitioning and approximation, and that includes aerodynamic effects using data from mid-fidelity potential…

Robotics · Computer Science 2026-02-16 Xinhuan Sang , Adam Rozman , Sheryl Grace , Roberto Tron

Gaussian processes are used in many machine learning applications that rely on uncertainty quantification. Recently, computational tools for working with these models in geometric settings, such as when inputs lie on a Riemannian manifold,…

Machine Learning · Statistics 2023-10-31 Paul Rosa , Viacheslav Borovitskiy , Alexander Terenin , Judith Rousseau

The National Ignition Facility has recently achieved successful burning plasma and ignition using the inertial confinement fusion (ICF) approach. However, there are still many fundamental physics phenomena that are not well understood,…

The composition of multiple Gaussian Processes as a Deep Gaussian Process (DGP) enables a deep probabilistic nonparametric approach to flexibly tackle complex machine learning problems with sound quantification of uncertainty. Existing…

Machine Learning · Statistics 2017-03-02 Kurt Cutajar , Edwin V. Bonilla , Pietro Michiardi , Maurizio Filippone

We adopt Gaussian Processes (GPs) as latent functions for probabilistic forecasting of intermittent time series. The model is trained in a Bayesian framework that accounts for the uncertainty about the latent function. We couple the latent…

Machine Learning · Statistics 2026-01-28 Stefano Damato , Dario Azzimonti , Giorgio Corani

Standard Gaussian Process (GP) regression, a powerful machine learning tool, is computationally expensive when it is applied to large datasets, and potentially inaccurate when data points are sparsely distributed in a high-dimensional…

Machine Learning · Computer Science 2016-03-08 Z. Zhang , K. Duraisamy , N. A. Gumerov

In this paper, we propose a selective sampling procedure to preferentially evaluate a potential energy surface (PES) in a part of the configuration space governing a physical property of interest. The proposed sampling procedure is based on…

We generalize the interpolative separable density fitting (ISDF) method, used for compressing the four-index electron repulsion integral (ERI) tensor, to incorporate adaptive real space grids for potentially highly localized single-particle…

Computational Physics · Physics 2026-02-17 Hai Zhu , Chia-Nan Yeh , Miguel A. Morales , Leslie Greengard , Shidong Jiang , Jason Kaye

Inertial confinement fusion (ICF) experiments are designed using computer simulations that are approximations of reality, and therefore must be calibrated to accurately predict experimental observations. In this work, we propose a novel…

Machine Learning · Computer Science 2018-12-17 K. D. Humbird , J. L. Peterson , R. G. McClarren

We introduce constrained Gaussian process (CGP), a Gaussian process model for random functions that allows easy placement of mathematical constrains (e.g., non-negativity, monotonicity, etc) on its sample functions. CGP comes with…

Statistics Theory · Mathematics 2019-04-23 Jeremiah Zhe Liu