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Modeling atmospheric chemistry is computationally expensive and limits the widespread use of atmospheric chemical transport models. This computational cost arises from solving high-dimensional systems of stiff differential equations.…

Computational Physics · Physics 2024-01-12 Xiaokai Yang , Lin Guo , Zhonghua Zheng , Nicole Riemer , Christopher W. Tessum

We propose a probabilistic model discovery method for identifying ordinary differential equations (ODEs) governing the dynamics of observed multivariate data. Our method is based on the sparse identification of nonlinear dynamics (SINDy)…

Dynamical Systems · Mathematics 2021-07-06 Seth M. Hirsh , David A. Barajas-Solano , J. Nathan Kutz

Machine learning models have emerged as a very effective strategy to sidestep time-consuming electronic-structure calculations, enabling accurate simulations of greater size, time scale and complexity. Given the interpolative nature of…

Ensemble learning is a standard approach to building machine learning systems that capture complex phenomena in real-world data. An important aspect of these systems is the complete and valid quantification of model uncertainty. We…

Machine Learning · Computer Science 2019-11-12 Jeremiah Zhe Liu , John Paisley , Marianthi-Anna Kioumourtzoglou , Brent Coull

Uncertainty quantification is crucial to decision-making. A prominent example is probabilistic forecasting in numerical weather prediction. The dominant approach to representing uncertainty in weather forecasting is to generate an ensemble…

Machine Learning · Computer Science 2023-10-10 Lizao Li , Rob Carver , Ignacio Lopez-Gomez , Fei Sha , John Anderson

The Sparse Identification of Nonlinear Dynamics (SINDy) is a method for discovering nonlinear dynamical system models from data. Quantifying uncertainty in SINDy models is essential for assessing their reliability, particularly in…

Machine Learning · Computer Science 2025-07-17 Urban Fasel

This work designs a scalable, parameter-aware sparse regression framework for discovering interpretable partial differential equations and subgrid-scale closures from multi-parameter simulation data. Building on SINDy (Sparse Identification…

Machine Learning · Computer Science 2025-09-03 Hanseul Kang , Ville Vuorinen , Shervin Karimkashi

Machine learning (ML) surrogate models are increasingly used in engineering analysis and design to replace computationally expensive simulation models, significantly reducing computational cost and accelerating decision-making processes.…

Machine Learning · Statistics 2025-07-22 Xiaoping Du

Critical decisions frequently rely on high-dimensional output from complex computer simulation models that show intricate cross-variable, spatial and temporal dependence structures, with weather and climate predictions being key examples.…

Methodology · Statistics 2013-12-24 Roman Schefzik , Thordis L. Thorarinsdottir , Tilmann Gneiting

The embedded ensemble propagation approach introduced in [49] has been demonstrated to be a powerful means of reducing the computational cost of sampling-based uncertainty quantification methods, particularly on emerging computational…

Computation · Statistics 2017-05-08 Marta D'Elia , Eric Phipps , Ahmad Rushdi , Mohamed Ebeida

Reduced-order models (ROMs) can efficiently simulate high-dimensional physical systems but lack robust uncertainty quantification methods. Existing approaches are frequently architecture- or training-specific, which limits flexibility and…

Machine Learning · Computer Science 2025-11-18 Jonas E. Katona , Emily K. de Jong , Nipun Gunawardena

Slurry transportation via pipelines is essential for global industries, offering efficiency and environmental benefits. Specifically, the precise calibration of physical parameters for transporting raw phosphate material to fertilizer…

Fluid Dynamics · Physics 2024-06-13 Marwane Elkarii , Radouan Boukharfane , Nabil El Moçayd

We present a simple comparative framework for testing and developing uncertainty modeling in uncertain marching cubes implementations. The selection of a model to represent the probability distribution of uncertain values directly…

Human-Computer Interaction · Computer Science 2024-09-16 Robert Sisneros , Tushar M. Athawale , David Pugmire , Kenneth Moreland

Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near first-principles accuracy at substantially reduced computational cost, making them powerful tools for large-scale materials modeling. The accuracy of…

Materials Science · Physics 2025-08-11 Yonatan Kurniawan , Mingjian Wen , Ellad B. Tadmor , Mark K. Transtrum

Uncertainty quantification by ensemble learning is explored in terms of an application from computational optical form measurements. The application requires to solve a large-scale, nonlinear inverse problem. Ensemble learning is used to…

Machine Learning · Computer Science 2021-03-03 Lara Hoffmann , Ines Fortmeier , Clemens Elster

Conjunction assessment requires knowledge of the uncertainty in the predicted orbit. Errors in the atmospheric density are a major source of error in the prediction of low Earth orbits. Therefore, accurate estimation of the density and…

Earth and Planetary Astrophysics · Physics 2020-04-24 David J. Gondelach , Richard Linares

Uncertainty quantification in automated image analysis is highly desired in many applications. Typically, machine learning models in classification or segmentation are only developed to provide binary answers; however, quantifying the…

Large language models (LLMs) have demonstrated remarkable capabilities in generating programs from natural language descriptions, yet ensuring their correctness without an external oracle remains a critical challenge. To solve the…

Software Engineering · Computer Science 2026-04-07 Yunxiang Wei , Tianlin Li , Yuwei Zheng , Yanni Dong , Aishan Liu , Qiang Hu , Xiaoyu Zhang , Mingfei Cheng , Jian Yang

Molecular dynamics simulation is now a widespread approach for understanding complex systems on the atomistic scale. It finds applications from physics and chemistry to engineering, life and medical science. In the last decade, the approach…

Computational Physics · Physics 2021-04-28 Shunzhou Wan , Robert C. Sinclair , Peter V. Coveney

Statistical learning algorithms provide a generally-applicable framework to sidestep time-consuming experiments, or accurate physics-based modeling, but they introduce a further source of error on top of the intrinsic limitations of the…

Chemical Physics · Physics 2024-05-17 Matthias Kellner , Michele Ceriotti
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