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Modern AI agents such as large language models are trained on diverse tasks -- translation, code generation, mathematical reasoning, and text prediction -- simultaneously. A key question is how to quantify the influence of each individual…

Machine Learning · Computer Science 2026-05-12 Zhenshuo Zhang , Minxuan Duan , Hongyang R. Zhang

Multi-fidelity methods leverage low-cost surrogate models to speed up computations and make occasional recourse to expensive high-fidelity models to establish accuracy guarantees. Because surrogate and high-fidelity models are used…

Numerical Analysis · Mathematics 2021-09-14 Terrence Alsup , Benjamin Peherstorfer

The present study proposes a data-driven framework trained with high-fidelity simulation results to facilitate decision making for combustor designs. At its core is a surrogate model employing a machine-learning technique called kriging,…

Computational Engineering, Finance, and Science · Computer Science 2017-09-25 Shiang-Ting Yeh , Xingjian Wang , Chih-Li Sung , Simon Mak , Yu-Hung Chang , Liwei Zhang , C. F. Jeff Wu , Vigor Yang

Fast inference of numerical model parameters from data is an important prerequisite to generate predictive models for a wide range of applications. Use of sampling-based approaches such as Markov chain Monte Carlo may become intractable…

Machine Learning · Computer Science 2022-08-10 Yu Wang , Fang Liu , Daniele E. Schiavazzi

Understanding the dynamics and evolution of climate change and associated uncertainties is key for designing robust policy actions. Computer models are key tools in this scientific effort, which have now reached a high level of…

Methodology · Statistics 2024-04-30 Matteo Fontana , Massimo Tavoni , Simone Vantini

Machine learning models of accelerator systems (`surrogate models') are able to provide fast, accurate predictions of accelerator physics phenomena. However, approaches to date typically do not include measured input diagnostics, such as…

Accelerator Physics · Physics 2021-04-06 Lipi Gupta , Auralee Edelen , Nicole Neveu , Aashwin Mishra , Christopher Mayes , Young-Kee Kim

We demonstrate the adaption of three established methods to the field of surrogate machine learning model development. These methods are data augmentation, custom loss functions and transfer learning. Each of these methods have seen…

Machine Learning · Computer Science 2022-11-04 H. Rhys Jones , Tingting Mu , Andrei C. Popescu , Yusuf Sulehman

This paper develops on-line inference for the multivariate local level model, with the focus being placed on covariance estimation of the innovations. We assess the application of the inverse Wishart prior distribution in this context and…

Methodology · Statistics 2013-11-05 K. Triantafyllopoulos

Many real-world systems are modelled using complex ordinary differential equations (ODEs). However, the dimensionality of these systems can make them challenging to analyze. Dimensionality reduction techniques like Proper Orthogonal…

Computational Engineering, Finance, and Science · Computer Science 2025-02-26 Abhishek Ajayakumar , Soumyendu Raha

Spatial and visual connectivity are important metrics when developing workplace layouts. Calculating those metrics in real-time can be difficult, depending on the size of the floor plan being analysed and the resolution of the analyses.…

Machine Learning · Computer Science 2020-01-01 Sherif Tarabishy , Stamatios Psarras , Marcin Kosicki , Martha Tsigkari

Global sensitivity analysis of complex numerical simulators is often limited by the small number of model evaluations that can be afforded. In such settings, surrogate models built from a limited set of simulations can substantially reduce…

Machine Learning · Statistics 2026-01-21 Guerlain Lambert , Céline Helbert , Claire Lauvernet

Data-driven neural networks are increasingly used as surrogate forward models in geophysics, but it remains unclear whether they recover only the data mapping or also the underlying physical sensitivity structure. Here we test this question…

Machine Learning · Computer Science 2026-04-07 Ziye Yu , Yuqi Cai , Xin Liu

Every computer model depends on numerical input parameters that are chosen according to mostly conservative but rigorous numerical or empirical estimates. These parameters could for example be the step size for time integrators, a seed for…

Computational Physics · Physics 2020-09-11 Matthias Frey , Andreas Adelmann

Locally adapted parameterizations of a model (such as locally weighted regression) are expressive but often suffer from high variance. We describe an approach for reducing the variance, based on the idea of estimating simultaneously a…

Machine Learning · Computer Science 2012-07-03 Doina Precup , Philip Bachman

The transition of the power grid requires new technologies and methodologies, which can only be developed and tested in simulations. Especially larger simulation setups with many levels of detail can become quite slow. Therefore, the number…

Signal Processing · Electrical Eng. & Systems 2020-06-23 Stephan Balduin , Tom Westermann , Erika Puiutta

Sensitivity analysis plays an important role in the development of computer models/simulators through identifying the contribution of each (uncertain) input factor to the model output variability. This report investigates different aspects…

Computation · Statistics 2022-06-24 Hossein Mohammadi , Peter Challenor , Clémentine Prieur

Generating simulated training data needed for constructing sufficiently accurate surrogate models to be used for efficient optimization or parameter identification can incur a huge computational effort in the offline phase. We consider a…

Numerical Analysis · Mathematics 2024-04-03 Phillip Semler , Martin Weiser

Morphogenesis is a developmental process in which cells organize into shapes and patterns. Complex, multi-factorial models are commonly used to study morphogenesis. It is difficult to understand the relation between the uncertainty in the…

Cell Behavior · Quantitative Biology 2015-11-25 Sonja E. M. Boas , Maria I. Navarro Jimenez , Roeland M. H. Merks , Joke G. Blom

Machine learning methods are increasingly used to build computationally inexpensive surrogates for complex physical models. The predictive capability of these surrogates suffers when data are noisy, sparse, or time-dependent. As we are…

Machine Learning · Computer Science 2024-05-20 A. Diaw , M. McKerns , I. Sagert , L. G. Stanton , M. S. Murillo

Accurate surrogate construction for PDE-driven high-dimensional rare-event simulation is challenging when performance evaluations are expensive. Since a globally accurate surrogate may require many high-fidelity evaluations, adaptive…

Numerical Analysis · Mathematics 2026-05-18 Zhiwei Gao , George Karniadakis