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The joint prediction of continuous fields and statistical estimation of the underlying discrete parameters is a common problem for many physical systems, governed by PDEs. Hitherto, it has been separately addressed by employing operator…

Machine Learning · Computer Science 2024-11-06 Levi E. Lingsch , Dana Grund , Siddhartha Mishra , Georgios Kissas

Stochastic kinetic models (SKMs) are increasingly used to account for the inherent stochasticity exhibited by interacting populations of species in areas such as epidemiology, population ecology and systems biology. Species numbers are…

Computation · Statistics 2023-04-06 Tom E. Lowe , Andrew Golightly , Chris Sherlock

Adoption and deployment of robotic and autonomous systems in industry are currently hindered by the lack of transparency, required for safety and accountability. Methods for providing explanations are needed that are agnostic to the…

Robotics · Computer Science 2023-06-01 Konstantinos Gavriilidis , Andrea Munafo , Wei Pang , Helen Hastie

Driven by increased complexity of dynamical systems, the solution of system of differential equations through numerical simulation in optimization problems has become computationally expensive. This paper provides a smart data driven…

Optimization and Control · Mathematics 2021-08-25 Kainat Khowaja , Mykhaylo Shcherbatyy , Wolfgang Karl Härdle

Fast machine learning-based surrogate models are trained to emulate slow, high-fidelity engineering simulation models to accelerate engineering design tasks. This introduces uncertainty as the surrogate is only an approximation of the…

Machine Learning · Statistics 2020-10-08 Paul Westermann , Ralph Evins

Numerical models based on physics represent the state-of-the-art in earth system modeling and comprise our best tools for generating insights and predictions. Despite rapid growth in computational power, the perceived need for higher model…

Machine Learning · Computer Science 2022-01-10 Kate Duffy , Thomas Vandal , Weile Wang , Ramakrishna Nemani , Auroop R. Ganguly

From their birth in the manufacturing process, materials inherently contain defects that affect the mechanical behavior across multiple length and time-scales, including vacancies, dislocations, voids and cracks. Understanding, modeling,…

Materials Science · Physics 2020-12-10 Eduardo A. Barros de Moraes , Jorge L. Suzuki , Mohsen Zayernouri

Vertical equilibrium (VE) models have been introduced as computationally efficient alternatives to traditional mass and momentum balance equations for fluid flow in porous media. Since VE models are only accurate in regions where phase…

Fluid Dynamics · Physics 2026-04-21 Ivan Buntic , Bernd Flemisch

The quantification of uncertainties of computer simulations due to input parameter uncertainties is paramount to assess a model's credibility. For computationally expensive simulations, this is often feasible only via surrogate models that…

Methodology · Statistics 2021-08-30 Sascha Ranftl , Wolfgang von der Linden

Surrogate models are statistical or conceptual approximations for more complex simulation models. In this context, it is crucial to propagate the uncertainty induced by limited simulation budget and surrogate approximation error to…

Machine Learning · Statistics 2026-01-27 Philipp Reiser , Javier Enrique Aguilar , Anneli Guthke , Paul-Christian Bürkner

Surrogate models for partial-differential equations are widely used in the design of meta-materials to rapidly evaluate the behavior of composable components. However, the training cost of accurate surrogates by machine learning can rapidly…

Machine Learning · Computer Science 2020-11-04 Raphaël Pestourie , Youssef Mroueh , Thanh V. Nguyen , Payel Das , Steven G. Johnson

High-fidelity numerical simulations of chaotic, high dimensional nonlinear dynamical systems are computationally expensive, necessitating the development of efficient surrogate models. Most surrogate models for such systems are…

Machine Learning · Computer Science 2026-03-16 Dibyajyoti Chakraborty , Hojin Kim , Romit Maulik

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

Predictive estimation, which comprises model calibration, model prediction, and validation, is a common objective when performing inverse uncertainty quantification (UQ) in diverse scientific applications. These techniques typically require…

Numerical Analysis · Mathematics 2024-07-17 Ningxin Yang , Truong Le , Lidija Zdravković , David M. Potts

We discuss computational superstructures that, using repeated, appropriately initialized short calls, enable temporal process simulators to perform alternative tasks such as fixed point computation, stability analysis and projective…

Optimization and Control · Mathematics 2025-10-20 C. I. Siettos , C. C. Pantelides , I. G. Kevrekidis

The increased penetration of wind power introduces more operational changes of critical corridors and the traditional time-consuming transient stability constrained total transfer capability (TTC) operational planning is unable to meet the…

Systems and Control · Electrical Eng. & Systems 2020-06-30 Gao Qiu , Youbo Liu , Junyong Liu , Junbo Zhao , Lingfeng Wang , Tingjian Liu , Hongjun Gao

Physical based simulations can be very time and computationally demanding tasks. One way of accelerating these processes is by making use of data-driven surrogate models that learn from existing simulations. Ensembling methods are…

Machine Learning · Computer Science 2023-12-22 Anthony Kalaydjian , Anton Balykov , Alexi Semiz , Adrien Chan-Hon-Tong

Numerical simulations on fluid dynamics problems primarily rely on spatially or/and temporally discretization of the governing equation into the finite-dimensional algebraic system solved by computers. Due to complicated nature of the…

Computational Physics · Physics 2021-07-23 Luning Sun , Han Gao , Shaowu Pan , Jian-Xun Wang

Oilfield development related decisions are made using reservoir simulation-based optimization study in which different production scenarios and well controls are compared. Such simulations are computationally expensive and so surrogate…

Machine Learning · Computer Science 2022-03-01 Ajitabh Kumar

Simulation models are an absolute necessity in the human and social sciences, which can only very exceptionally use experimental science methods to construct their knowledge. Models enable the simulation of social processes by replacing the…

Computers and Society · Computer Science 2020-01-06 J. Raimbault , D. Pumain