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Many socio-economical critical domains (such as sustainability, public health, and disasters) are characterized by highly complex and dynamic systems, requiring data and model-driven simulations to support decision-making. Due to a large…

Visualizing the uncertainty of ensemble simulations is challenging due to the large size and multivariate and temporal features of ensemble data sets. One popular approach to studying the uncertainty of ensembles is analyzing the positional…

Machine Learning · Computer Science 2022-10-25 Mengjiao Han , Tushar M. Athawale , David Pugmire , Chris R. Johnson

Recently, deep learning has emerged as a promising tool for statistical downscaling, the set of methods for generating high-resolution climate fields from coarse low-resolution variables. Nevertheless, their ability to generalize to climate…

Machine Learning · Computer Science 2023-05-03 Jose González-Abad , Jorge Baño-Medina

Molecular dynamics simulations have a prominent role in biophysics and drug discovery due to the atomistic information they provide on the structure, energetics and dynamics of biomolecules. Specialized software packages are required to…

Computational Physics · Physics 2013-10-08 Toni Giorgino

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…

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

Computer vision and machine learning tools offer an exciting new way for automatically analyzing and categorizing information from complex computer simulations. Here we design an ensemble machine learning framework that can independently…

Computer Vision and Pattern Recognition · Computer Science 2021-09-06 Maarja Bussov , Joonas Nättilä

Scientists increasingly rely on simulation runs of complex models in lieu of cost-prohibitive or infeasible experimentation. The data output of many controlled simulation runs, the ensemble, is used to verify correctness and quantify…

Human-Computer Interaction · Computer Science 2017-10-24 Alok Hota , Mohammad Raji , Tanner Hobson , Jian Huang

Many processes of scientific and technological interest are characterized by time scales that render their simulation impossible if one uses present day simulation capabilities. To overcome this challenge a variety of enhanced simulation…

Statistical Mechanics · Physics 2019-02-26 Z. Faidon Brotzakis , Dan Mendels , Michele Parrinello

Many problems in engineering and sciences require the solution of large scale optimization constrained by partial differential equations (PDEs). Though PDE-constrained optimization is itself challenging, most applications pose additional…

Optimization and Control · Mathematics 2020-01-06 Joseph Hart , Bart van Bloemen Waanders , Roland Herzog

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

Estimating the effects of continuous-valued interventions from observational data is a critically important task for climate science, healthcare, and economics. Recent work focuses on designing neural network architectures and…

Machine Learning · Computer Science 2022-10-13 Andrew Jesson , Alyson Douglas , Peter Manshausen , Maëlys Solal , Nicolai Meinshausen , Philip Stier , Yarin Gal , Uri Shalit

In this study, we explore in depth a few under-studied topics at the intersection of uncertainty estimation and segmentation. Prior work has shown that the quality of uncertainty estimates can be very sensitive to a range of variables. As…

Computer Vision and Pattern Recognition · Computer Science 2026-05-18 Michael Smith , Frank P. Ferrie

Sensitivity analysis is an important tool used in many domains of computational science to either gain insight into the mathematical model and interaction of its parameters or study the uncertainty propagation through the input-output…

Methodology · Statistics 2023-06-02 Juraj Kardos , Wouter Edeling , Diana Suleimenova , Derek Groen , Olaf Schenk

Streamlines have been widely used to represent and analyze various steady vector fields. To sufficiently represent important features in complex vector fields (like flow), a large number of streamlines are required. Due to the lack of a…

Computational Geometry · Computer Science 2026-04-17 Nguyen Phan , Brian Kim , Adeel Zafar , Guoning Chen

Modern weather forecast models perform uncertainty quantification using ensemble prediction systems, which collect nonparametric statistics based on multiple perturbed simulations. To provide accurate estimation, dozens of such…

Machine Learning · Computer Science 2019-12-06 Peter Grönquist , Tal Ben-Nun , Nikoli Dryden , Peter Dueben , Luca Lavarini , Shigang Li , Torsten Hoefler

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

This paper proposes a visual analytics framework that addresses the complex user interactions required through a command-line interface to run analyses in distributed data analysis systems. The visual analytics framework facilitates the…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-11-12 Abdullah-Al-Raihan Nayeem , Mohammed Elshambakey , Todd Dobbs , Huikyo Lee , Daniel Crichton , Yimin Zhu , Chanachok Chokwitthaya , William J. Tolone , Isaac Cho

Weather forecasting is essential for decision-making and is usually performed using numerical modeling. Numerical weather models, in turn, are complex tools that require specialized training and laborious setup and are challenging even for…

Human-Computer Interaction · Computer Science 2024-02-28 Carolina Veiga Ferreira de Souza , Suzanna Maria Bonnet , Daniel de Oliveira , Marcio Cataldi , Fabio Miranda , Marcos Lage

Characterizing uncertainty is a common issue in nuclear measurement and has important implications for reliable physical discovery. Traditional methods are either insufficient to cope with the heterogeneous nature of uncertainty or…

Data Analysis, Statistics and Probability · Physics 2022-03-01 Pengcheng Ai , Zhi Deng , Yi Wang , Chendi Shen