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Quantifying uncertainties in physical or engineering systems often requires a large number of simulations of the underlying computer models that are computationally intensive. Emulators or surrogate models are often used to accelerate the…

Methodology · Statistics 2021-11-11 Junda Xiong , Xin Cai , Jinglai Li

Gaussian processes are used in machine learning to learn input-output mappings from observed data. Gaussian process regression is based on imposing a Gaussian process prior on the unknown regressor function and statistically conditioning it…

Machine Learning · Statistics 2019-07-16 Simo Särkkä

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.…

Methodology · Statistics 2024-04-02 Lulu Kang , Yuanxing Cheng , Yiwei Wang , Chun Liu

We tackle the problem of quantifying failure probabilities for expensive deterministic computer experiments with stochastic inputs under a fixed budget. The computational cost of the computer simulation prohibits direct Monte Carlo (MC) and…

Methodology · Statistics 2025-07-08 Annie S. Booth , S. Ashwin Renganathan

Automotive engineering makes extensive use of numerical simulation throughout the design process. The development of numerical models, their validation against experimental tests, and their updating during vehicle and engine projects…

Computational Engineering, Finance, and Science · Computer Science 2026-03-17 Di Jiang , Sebastian Rodriguez , Herve Colin , Yves Tourbier , Francisco Chinesta

Deterministic models are approximations of reality that are easy to interpret and often easier to build than stochastic alternatives. Unfortunately, as nature is capricious, observational data can never be fully explained by deterministic…

Machine Learning · Computer Science 2020-03-31 Andrew Warrington , Saeid Naderiparizi , Frank Wood

Computer simulations that demonstrate the valueof novel approaches are crucial to developing more flexibleand robust power systems operations with high penetrations ofrenewable energy at multiple geographic and temporal scales.However,…

Systems and Control · Electrical Eng. & Systems 2020-09-01 Jose Daniel Lara , Jonathan T. Lee , Duncan Callaway , Bri-Mathias Hodge

Computer models are now widely used across a range of scientific disciplines to describe various complex physical systems, however to perform full uncertainty quantification we often need to employ emulators. An emulator is a fast…

Methodology · Statistics 2019-05-06 Ian Vernon , Samuel E. Jackson , Jonathan A. Cumming

Gaussian graphical model is a graphical representation of the dependence structure for a Gaussian random vector. It is recognized as a powerful tool in different applied fields such as bioinformatics, error-control codes, speech language,…

Machine Learning · Statistics 2017-01-10 Valery A. Kalyagin , Alexander P. Koldanov , Petr A. Koldanov , Panos M. Pardalos

Stochastic models of biochemical reaction networks are widely used to capture intrinsic noise in cellular systems. The typical formulation of these models are based on Markov processes for which there is extensive research on efficient…

Molecular Networks · Quantitative Biology 2025-12-03 Thomas P. Steele , David J. Warne

In this paper, we analyze Gaussian processes using statistical mechanics. Although the input is originally multidimensional, we simplify our model by considering the input as one-dimensional for statistical mechanical analysis. Furthermore,…

Statistical Mechanics · Physics 2025-05-05 Jun Tsuzurugi

Stochasticity is a key characteristic of intracellular processes such as gene regulation and chemical signalling. Therefore, characterising stochastic effects in biochemical systems is essential to understand the complex dynamics of living…

Molecular Networks · Quantitative Biology 2019-03-04 David J. Warne , Ruth E. Baker , Matthew J. Simpson

Violation of the assumptions underlying classical (Gaussian) limit theory often yields unreliable statistical inference. This paper shows that the bootstrap can detect such violations by delivering simple and powerful diagnostic tests that…

Econometrics · Economics 2025-10-09 Giuseppe Cavaliere , Luca Fanelli , Iliyan Georgiev

In robotics, simulation has the potential to reduce design time and costs, and lead to a more robust engineered solution and a safer development process. However, the use of simulators is predicated on the availability of good models. This…

Robotics · Computer Science 2023-05-12 Huzaifa Mustafa Unjhawala , Ruochun Zhang , Wei Hu , Jinlong Wu , Radu Serban , Dan Negrut

The topic of provable deep neural network robustness has raised considerable interest in recent years. Most research has focused on adversarial robustness, which studies the robustness of perceptive models in the neighbourhood of particular…

Machine Learning · Computer Science 2019-11-26 Julien Girard-Satabin , Guillaume Charpiat , Zakaria Chihani , Marc Schoenauer

For many expensive deterministic computer simulators, the outputs do not have replication error and the desired metamodel (or statistical emulator) is an interpolator of the observed data. Realizations of Gaussian spatial processes (GP) are…

Methodology · Statistics 2012-03-07 Pritam Ranjan , Ronald Haynes , Richard Karsten

The process of calibrating computer models of natural phenomena is essential for applications in the physical sciences, where plenty of domain knowledge can be embedded into simulations and then calibrated against real observations. Current…

Machine Learning · Computer Science 2025-01-20 Rafael Oliveira , Dino Sejdinovic , David Howard , Edwin V. Bonilla

In chemical process engineering, surrogate models of complex systems are often necessary for tasks of domain exploration, sensitivity analysis of the design parameters, and optimization. A suite of computational fluid dynamics (CFD)…

Computational Engineering, Finance, and Science · Computer Science 2020-09-09 Gabriel F. N. Gonçalves , Assen Batchvarov , Yuyi Liu , Yuxin Liu , Lachlan Mason , Indranil Pan , Omar K. Matar

The estimation of unknown values of parameters (or hidden variables, control variables) that characterise a physical system often relies on the comparison of measured data with synthetic data produced by some numerical simulator of the…

Machine Learning · Computer Science 2019-01-28 Xi Chen , Mike Hobson

We review progress towards direct simulation of quantum dynamics in many-body systems, using recently developed stochastic gauge techniques. We consider master equations, canonical ensemble calculations and reversible quantum dynamics are…

Condensed Matter · Physics 2017-08-23 P. D. Drummond , P. Deuar , J. F. Corney , K. V. Kheruntsyan