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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…

Machine Learning · Computer Science 2023-06-26 Jonathan Parkinson , Wei Wang

Gaussian process (GP) regression provides a strategy for accelerating saddle point searches on high-dimensional energy surfaces by reducing the number of times the energy and its derivatives with respect to atomic coordinates need to be…

Chemical Physics · Physics 2025-12-03 Rohit Goswami , Hannes Jónsson

Similarity graphs are an active research direction for the nearest neighbor search (NNS) problem. New algorithms for similarity graph construction are continuously being proposed and analyzed by both theoreticians and practitioners.…

Machine Learning · Computer Science 2020-02-14 Dmitry Baranchuk , Artem Babenko

Multi-robot systems require scalable and federated methods to model complex environments under computational and communication constraints. Gaussian Processes (GPs) offer robust probabilistic modeling, but suffer from cubic computational…

Multiagent Systems · Computer Science 2026-02-13 Sanket A. Salunkhe , George P. Kontoudis

In this work, we propose a novel framework for large-scale Gaussian process (GP) modeling. Contrary to the global, and local approximations proposed in the literature to address the computational bottleneck with exact GP modeling, we employ…

Machine Learning · Statistics 2023-12-19 Akhil Vakayil , Roshan Joseph

Trustworthiness in model predictions is crucial for safety-critical applications in the real world. However, deep neural networks often suffer from the issues of uncertainty estimation, such as miscalibration. In this study, we propose…

Computation and Language · Computer Science 2025-02-07 Wataru Hashimoto , Hidetaka Kamigaito , Taro Watanabe

Approximate Bayesian computation (ABC) methods are used to approximate posterior distributions using simulation rather than likelihood calculations. We introduce Gaussian process (GP) accelerated ABC, which we show can significantly reduce…

Computation · Statistics 2014-02-25 Richard D Wilkinson

Although deep neural networks (NNs) have achievedstate-of-the-art accuracy in many visual recognition tasks,the growing computational complexity and energy con-sumption of networks remains an issue, especially for ap-plications on platforms…

Machine Learning · Computer Science 2020-02-26 Le Thanh Nguyen-Meidine , Eric Granger , Madhu Kiran , Louis-Antoine Blais-Morin , Marco Pedersoli

Applications of new techniques in machine learning are speeding up progress in research in various fields. In this work, we construct and evaluate a deep neural network (DNN) to be used within a Bayesian statistical framework as a faster…

Nuclear Theory · Physics 2024-10-14 Nicholas Cox , Xavier Grundler , Bao-An Li

Parameter retrieval and model inversion are key problems in remote sensing and Earth observation. Currently, different approximations exist: a direct, yet costly, inversion of radiative transfer models (RTMs); the statistical inversion with…

Signal Processing · Electrical Eng. & Systems 2021-04-22 Daniel Heestermans Svendsen , Pablo Morales-Alvarez , Ana Belen Ruescas , Rafael Molina , Gustau Camps-Valls

Gaussian Process (GP) models provide a flexible framework for prediction and uncertainty quantification. For most covariance functions, however, exact GP prediction with $n$ points scales as $\mathcal{O}(n^3)$, making it prohibitively…

Computation · Statistics 2026-05-29 Samanyu Arora , Christopher J. Geoga

A common theoretical approach to understanding neural networks is to take an infinite-width limit, at which point the outputs become Gaussian process (GP) distributed. This is known as a neural network Gaussian process (NNGP). However, the…

Machine Learning · Statistics 2025-06-26 Ben Anson , Edward Milsom , Laurence Aitchison

Multi-output Gaussian Processes provide principled uncertainty-aware learning of vector-valued fields but are difficult to deploy in large-scale, distributed, and streaming settings due to their computational and centralized nature. This…

Machine Learning · Computer Science 2026-04-14 Yogesh Prasanna Kumar Rao , Tamas Keviczky , Raj Thilak Rajan

Recent variational Bayes methods for geospatial regression, proposed as an alternative to computationally expensive Markov chain Monte Carlo (MCMC) sampling, have leveraged Nearest Neighbor Gaussian processes (NNGP) to achieve scalability.…

Computation · Statistics 2025-07-17 Jiafang Song , Abhirup Datta

Environmental sensors are crucial for monitoring weather conditions and the impacts of climate change. However, it is challenging to place sensors in a way that maximises the informativeness of their measurements, particularly in remote…

RF-GAP has recently been introduced as an improved random forest proximity measure. In this paper, we present PF-GAP, an extension of RF-GAP proximities to proximity forests, an accurate and efficient time series classification model. We…

Machine Learning · Statistics 2025-04-17 Ben Shaw , Jake Rhodes , Soukaina Filali Boubrahimi , Kevin R. Moon

In this paper we describe a new brute force algorithm for building the $k$-Nearest Neighbor Graph ($k$-NNG). The $k$-NNG algorithm has many applications in areas such as machine learning, bio-informatics, and clustering analysis. While…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-06-17 Ivan Komarov , Ali Dashti , Roshan D'Souza

Gaussian Process (GP) Variational Autoencoders (VAEs) extend standard VAEs by replacing the fully factorised Gaussian prior with a GP prior, thereby capturing richer correlations among latent variables. However, performing exact GP…

Machine Learning · Computer Science 2025-08-18 Xinxing Shi , Xiaoyu Jiang , Mauricio A. Álvarez

Bayesian method is capable of capturing real world uncertainties/incompleteness and properly addressing the over-fitting issue faced by deep neural networks. In recent years, Bayesian Neural Networks (BNNs) have drawn tremendous attentions…

Machine Learning · Computer Science 2020-05-11 Xiaotao Jia , Jianlei Yang , Runze Liu , Xueyan Wang , Sorin Dan Cotofana , Weisheng Zhao

The Gaussian process (GP) regression can be severely biased when the data are contaminated by outliers. This paper presents a new robust GP regression algorithm that iteratively trims the most extreme data points. While the new algorithm…

Machine Learning · Computer Science 2021-06-15 Zhao-Zhou Li , Lu Li , Zhengyi Shao
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