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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

Some applications of deep learning require not only to provide accurate results but also to quantify the amount of confidence in their prediction. The management of an electric power grid is one of these cases: to avoid risky scenarios,…

Machine Learning · Computer Science 2023-08-25 Michele Guerra , Simone Scardapane , Filippo Maria Bianchi

Critical heat flux (CHF) marks the onset of boiling crisis in light-water reactors, defining safe thermal-hydraulic operating limits. To support Phase II of the OECD/NEA AI/ML CHF benchmark, which introduces spatially varying power…

Machine Learning · Computer Science 2025-11-05 Reece Bourisaw , Reid McCants , Jean-Marie Le Corre , Anna Iskhakova , Arsen S. Iskhakov

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…

In this paper, we develop a machine learning-based Bayesian approach to inversely quantify and reduce the uncertainties of the two-fluid model-based multiphase computational fluid dynamics (MCFD) for bubbly flow simulations. The proposed…

Fluid Dynamics · Physics 2020-10-22 Yang Liu , Dewei Wang , Xiaodong Sun , Yang Liu , Nam Dinh , Rui Hu

Rigorous statistical methods, including parameter estimation with accompanying uncertainties, underpin the validity of scientific discovery, especially in the natural sciences. With increasingly complex data models such as deep learning…

Machine Learning · Computer Science 2026-02-18 Aurora Grefsrud , Nello Blaser , Trygve Buanes

Modern machine learning methods including deep learning have achieved great success in predictive accuracy for supervised learning tasks, but may still fall short in giving useful estimates of their predictive {\em uncertainty}. Quantifying…

Accurate and efficient temperature prediction is critical for optimizing the preheating process of PET preforms in industrial microwave systems prior to blow molding. We propose a novel deep learning framework for generalized temperature…

Machine Learning · Computer Science 2025-10-08 Ahmad Alsheikh , Andreas Fischer

Boiling heat transfer occurs in many situations and can be used for thermal management in various engineered systems with high energy density, from power electronics to heat exchangers in power plants and nuclear reactors. Essentially,…

Computational Engineering, Finance, and Science · Computer Science 2018-09-26 Yang Liu , Nam Dinh , Yohei Sato , Bojan Niceno

Coarse graining techniques play an essential role in accelerating molecular simulations of systems with large length and time scales. Theoretically grounded bottom-up models are appealing due to their thermodynamic consistency with the…

Computational Physics · Physics 2022-11-01 Blake R. Duschatko , Jonathan Vandermause , Nicola Molinari , Boris Kozinsky

Uncertainty quantification in Artificial Intelligence (AI)-based predictions of material properties is of immense importance for the success and reliability of AI applications in material science. While confidence intervals are commonly…

Machine Learning · Computer Science 2023-01-16 Francesca Tavazza , Brian De Cost , Kamal Choudhary

Recent works have presented promising results from the application of machine learning (ML) to the modeling of flow rates in oil and gas wells. Encouraging results and advantageous properties of ML models, such as computationally cheap…

Machine Learning · Computer Science 2022-01-10 Bjarne Grimstad , Mathilde Hotvedt , Anders T. Sandnes , Odd Kolbjørnsen , Lars S. Imsland

Efficient and sustainable power generation is a crucial concern in the energy sector. In particular, thermal power plants grapple with accurately predicting steam mass flow, which is crucial for operational efficiency and cost reduction. In…

Machine Learning · Computer Science 2025-08-14 Andrii Kurkin , Jonas Hegemann , Mo Kordzanganeh , Alexey Melnikov

Recent advancements in predictive machine learning has led to its application in various use cases in manufacturing. Most research focused on maximising predictive accuracy without addressing the uncertainty associated with it. While…

Multiagent Systems · Computer Science 2021-07-29 Bang Xiang Yong , Alexandra Brintrup

While deep learning has shown tremendous success in a wide range of domains, it remains a grand challenge to incorporate physical principles in a systematic manner to the design, training, and inference of such models. In this paper, we aim…

Computational Physics · Physics 2020-06-16 Rui Wang , Karthik Kashinath , Mustafa Mustafa , Adrian Albert , Rose Yu

Predicting future resource demand in Cloud Computing is essential for optimizing the trade-off between serving customers' requests efficiently and minimizing the provisioning cost. Modelling prediction uncertainty is also desirable to…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-14 Andrea Rossi , Andrea Visentin , Diego Carraro , Steven Prestwich , Kenneth N. Brown

High-intensity laser plasma interactions create complex computational problems because they involve both fluid and kinetic regimes, which need models that maintain physical precision while keeping computational speed. The research…

Plasma Physics · Physics 2025-10-14 Sadra Saremi , Amirhossein Ahmadkhan Kordbacheh

Accurately simulating coupled physical processes under uncertainty is essential for reliable modeling and design in performance-critical applications such as combustion systems. Ablative heat shield design, as a specific example of this…

Computational Physics · Physics 2025-10-07 Diba Behnoudfar , Kyle E. Niemeyer

In chemistry, deep neural network models have been increasingly utilized in a variety of applications such as molecular property predictions, novel molecule designs, and planning chemical reactions. Despite the rapid increase in the use of…

Chemical Physics · Physics 2019-05-17 Seongok Ryu , Yongchan Kwon , Woo Youn Kim

This study aims to comprehensively investigate the deep ensemble approach, an approximate Bayesian inference, in the multi-output regression task for predicting the aerodynamic performance of a missile configuration. To this end, the effect…

Machine Learning · Computer Science 2023-11-27 Sunwoong Yang , Kwanjung Yee