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Thompson sampling (TS) is a simple, effective stochastic policy in Bayesian decision making. It samples the posterior belief about the reward profile and optimizes the sample to obtain a candidate decision. In continuous optimization, the…

Machine Learning · Computer Science 2024-10-11 Taiwo A. Adebiyi , Bach Do , Ruda Zhang

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

Gaussian processes (GPs) enable principled computation of model uncertainty, making them attractive for safety-critical applications. Such scenarios demand that GP decisions are not only accurate, but also robust to perturbations. In this…

Machine Learning · Computer Science 2021-04-08 Andrea Patane , Arno Blaas , Luca Laurenti , Luca Cardelli , Stephen Roberts , Marta Kwiatkowska

In this paper, we study the generalized Douglas-Rachford algorithm and its cyclic variants which include many projection-type methods such as the classical Douglas-Rachford algorithm and the alternating projection algorithm. Specifically,…

Optimization and Control · Mathematics 2020-04-14 Minh N. Dao , Hung M. Phan

A novel probabilistic numerical method for quantifying the uncertainty induced by the time integration of ordinary differential equations (ODEs) is introduced. Departing from the classical strategy to randomize ODE solvers by adding a…

Numerical Analysis · Mathematics 2020-06-26 Assyr Abdulle , Giacomo Garegnani

Motivated by gradient methods in optimization theory, we give methods based on $\psi$-fractional derivatives of order $\alpha$ in order to solve unconstrained optimization problems. The convergence of these methods is analyzed in detail.…

Optimization and Control · Mathematics 2020-12-22 Pham Viet Hai , Joel A. Rosenfeld

We present a manifestly covariant formulation of the gradient descent method, ensuring consistency across arbitrary coordinate systems and general curved trainable spaces. The optimization dynamics is defined using a covariant force vector…

Machine Learning · Computer Science 2025-04-15 Dmitry Guskov , Vitaly Vanchurin

In this paper, we present the proximal-proximal-gradient method (PPG), a novel optimization method that is simple to implement and simple to parallelize. PPG generalizes the proximal-gradient method and ADMM and is applicable to…

Optimization and Control · Mathematics 2017-10-19 Ernest K. Ryu , Wotao Yin

One obstacle to the use of Gaussian processes (GPs) in large-scale problems, and as a component in deep learning system, is the need for bespoke derivations and implementations for small variations in the model or inference. In order to…

Machine Learning · Statistics 2020-03-04 Mark van der Wilk , Vincent Dutordoir , ST John , Artem Artemev , Vincent Adam , James Hensman

The Gaussian Process Latent Variable Model (GP-LVM) is a non-linear probabilistic method of embedding a high dimensional dataset in terms low dimensional `latent' variables. In this paper we illustrate that maximum a posteriori (MAP)…

Machine Learning · Statistics 2013-07-02 James Barrett , Anthony C. C. Coolen

Deep Gaussian Processes learn probabilistic data representations for supervised learning by cascading multiple Gaussian Processes. While this model family promises flexible predictive distributions, exact inference is not tractable.…

Machine Learning · Statistics 2020-10-23 Jakob Lindinger , David Reeb , Christoph Lippert , Barbara Rakitsch

First-order primal-dual methods are appealing for their low memory overhead, fast iterations, and effective parallelization. However, they are often slow at finding high accuracy solutions, which creates a barrier to their use in…

Optimization and Control · Mathematics 2023-12-05 David Applegate , Oliver Hinder , Haihao Lu , Miles Lubin

Complex computer codes or models can often be run in a hierarchy of different levels of complexity ranging from the very basic to the sophisticated. The top levels in this hierarchy are typically expensive to run, which limits the number of…

Methodology · Statistics 2023-07-19 Louise Kimpton , James Salter , Tim Dodwell , Hossein Mohammadi , Peter Challenor

The primal-dual Douglas-Rachford method is a well-known algorithm to solve optimization problems written as convex-concave saddle-point problems. Each iteration involves solving a linear system involving a linear operator and its adjoint.…

Optimization and Control · Mathematics 2025-11-11 Emanuele Naldi , Felix Schneppe

Gaussian Processes (GPs) are widely used to model dependencies in spatial statistics and machine learning. However, exact inference is computationally intractable for GP regression, with a time complexity of $O(n^3)$. The Vecchia…

Statistics Theory · Mathematics 2026-03-12 Botond Szabo , Yichen Zhu

In this paper, we propose decentralized and scalable algorithms for Gaussian process (GP) training and prediction in multi-agent systems. To decentralize the implementation of GP training optimization algorithms, we employ the alternating…

Machine Learning · Statistics 2022-03-08 George P. Kontoudis , Daniel J. Stilwell

Latent Gaussian process (GP) models are flexible probabilistic non-parametric function models. Vecchia approximations are accurate approximations for GPs to overcome computational bottlenecks for large data, and the Laplace approximation is…

Methodology · Statistics 2024-12-09 Pascal Kündig , Fabio Sigrist

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…

Machine Learning · Computer Science 2023-04-27 Felipe Tobar , Elsa Cazelles , Taco de Wolff

A probabilistic representation for initial value semilinear parabolic problems based on generalized random trees has been derived. Two different strategies have been proposed, both requiring generating suitable random trees combined with a…

Numerical Analysis · Mathematics 2024-02-13 Juan A. Acebron , Angel Rodriguez-Rozas

For over a century, extrapolation methods have provided a powerful tool to improve the convergence order of a numerical method. However, these tools are not well-suited to modern computer codes, where multiple continua are discretised and…