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Constructing a classical potential suited to simulate a given atomic system is a remarkably difficult task. This chapter presents a framework under which this problem can be tackled, based on the Bayesian construction of nonparametric force…

Computational Physics · Physics 2020-07-01 Aldo Glielmo , Claudio Zeni , Ádám Fekete , Alessandro De Vita

Expensive ultrasonic anemometers are usually required to measure wind speed accurately. The aim of this work is to overcome the loss of accuracy of a low cost hot-wire anemometer caused by the changes of air temperature, by means of a…

Anomalies in the ambient magnetic field can be used as features in indoor positioning and navigation. By using Maxwell's equations, we derive and present a Bayesian non-parametric probabilistic modeling approach for interpolation and…

Robotics · Computer Science 2018-03-22 Arno Solin , Manon Kok , Niklas Wahlström , Thomas B. Schön , Simo Särkkä

We show that the Gaussian Approximation Potential machine learning framework can describe complex magnetic potential energy surfaces, taking ferromagnetic iron as a paradigmatic challenging case. The training database includes total…

Materials Science · Physics 2018-02-07 Daniele Dragoni , Thomas D. Daff , Gabor Csanyi , Nicola Marzari

Gaussian process (GP) regression is a powerful probabilistic modeling technique with built-in uncertainty quantification. When one has access to multiple correlated simulations (tasks), it is common to fit a multitask GP (MTGP) surrogate…

Computation · Statistics 2026-03-18 Aleksei G. Sorokin , Pieterjan Robbe , Fred J. Hickernell

A practical approach to evaluate performance of a Gaussian process regression models (GPR) for irregularly sampled sparse time-series is introduced. The approach entails construction of a secondary autoregressive model using the fine scale…

Methodology · Statistics 2016-11-10 Mehmet Süzen , Abed Ajraou

We present an implementation of model-based online reinforcement learning (RL) for continuous domains with deterministic transitions that is specifically designed to achieve low sample complexity. To achieve low sample complexity, since the…

Artificial Intelligence · Computer Science 2012-02-01 Tobias Jung , Peter Stone

The calculation of minimum energy paths for transitions such as atomic and/or spin re-arrangements is an important task in many contexts and can often be used to determine the mechanism and rate of transitions. An important challenge is to…

Chemical Physics · Physics 2017-03-31 Olli-Pekka Koistinen , Emile Maras , Aki Vehtari , Hannes Jónsson

Gaussian graphical regression is a powerful means that regresses the precision matrix of a Gaussian graphical model on covariates, permitting the numbers of the response variables and covariates to far exceed the sample size. Model fitting…

Methodology · Statistics 2022-05-24 Jingfei Zhang , Yi Li

The integration of renewable energy sources (RES) into power grids presents significant challenges due to their intrinsic stochasticity and uncertainty, necessitating the development of new techniques for reliable and efficient forecasting.…

Machine Learning · Statistics 2024-09-13 Hanyu Zhang , Reza Zandehshahvar , Mathieu Tanneau , Pascal Van Hentenryck

Estimating state of health is a critical function of a battery management system but remains challenging due to the variability of operating conditions and usage requirements of real applications. As a result, techniques based on fitting…

Systems and Control · Electrical Eng. & Systems 2025-02-17 Antti Aitio , Dominik Jöst , Dirk Uwe Sauer , David A. Howey

Edge transport barriers (ETBs) in magnetically confined fusion plasmas, commonly known as pedestals, play a crucial role in achieving high confinement plasmas. However, their defining characteristic, a steep rise in plasma pressure over…

Gaussian process regression is a widely-applied method for function approximation and uncertainty quantification. The technique has gained popularity recently in the machine learning community due to its robustness and interpretability. The…

Machine Learning · Statistics 2022-10-12 Marcus M. Noack , James A. Sethian

Strongly Coupled Magnetic Resonance (SCMR) uses electromagnetic resonance in order to efficiently transfer power wirelessly over mid-range distances. Since the energy exchange capability of resonant objects higher than non-resonant objects,…

This paper introduces an active learning framework for manifold Gaussian Process (GP) regression, combining manifold learning with strategic data selection to improve accuracy in high-dimensional spaces. Our method jointly optimizes a…

Machine Learning · Statistics 2026-05-12 Yuanxing Cheng , Lulu Kang , Yiwei Wang , Chun Liu

Learning dynamical models from data is not only fundamental but also holds great promise for advancing principle discovery, time-series prediction, and controller design. Among various approaches, Gaussian Process State-Space Models…

Machine Learning · Computer Science 2025-10-20 Tengjie Zheng , Haipeng Chen , Lin Cheng , Shengping Gong , Xu Huang

The large-scale integration of inverter-based resources (IBRs), particularly distributed photovoltaics (DPVs), into distribution networks increases the need for integrated transmission and distribution (T&D) co-simulation. A key challenge…

Systems and Control · Electrical Eng. & Systems 2026-04-23 Jong Ha Woo , Qi Xiao , Yu Ma , Zishuo Yang , Victor Daldegan Paduani , Ning Lu

We propose a new method for simplification of Gaussian process (GP) models by projecting the information contained in the full encompassing model and selecting a reduced number of variables based on their predictive relevance. Our results…

Methodology · Statistics 2017-12-18 Juho Piironen , Aki Vehtari

The accurate prediction of the two-phase heat transfer coefficient (HTC) as a function of working fluids, channel geometries and process conditions is key to the optimal design and operation of compact heat exchangers. Advances in…

Fluid Dynamics · Physics 2023-05-31 Tullio Traverso , Francesco Coletti , Luca Magri , Tassos G. Karayiannis , Omar K. Matar

Gaussian processes (GP) are Bayesian non-parametric models that are widely used for probabilistic regression. Unfortunately, it cannot scale well with large data nor perform real-time predictions due to its cubic time cost in the data size.…

Machine Learning · Computer Science 2014-08-12 Jie Chen , Nannan Cao , Kian Hsiang Low , Ruofei Ouyang , Colin Keng-Yan Tan , Patrick Jaillet