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Accurate determination of fuel properties of complex mixtures over a wide range of pressure and temperature conditions is essential to utilizing alternative fuels. The present work aims to construct cheap-to-compute machine learning (ML)…

Machine Learning · Statistics 2021-10-19 Rodolfo S. M. Freitas , Ágatha P. F. Lima , Cheng Chen , Fernando A. Rochinha , Daniel Mira , Xi Jiang

This study presents an integrated modeling and optimization framework for a steam methane reforming (SMR) reactor, combining a mathematical model, artificial neural network (ANN)-based hybrid modeling, advanced multi-objective optimization…

Chemical Physics · Physics 2025-07-11 Seyed Reza Nabavi , Zonglin Guo , Zhiyuan Wang

In the last few years, energy efficiency has become a challenge. Not only mitigating environmental impact but reducing energy waste can lead to financial advantages. Buildings play an important role in this: they are among the biggest…

Systems and Control · Electrical Eng. & Systems 2026-01-30 B. da Costa Paulo , N. Aginako , J. Ugartemendia , I. Landa del Barrio , M. Quartulli , H. Camblong

Constructing first-principles models is usually a challenging and time-consuming task due to the complexity of the real-life processes. On the other hand, data-driven modeling, and in particular neural network models often suffer from…

Optimization and Control · Mathematics 2023-02-03 Ece S. Koksal , Erdal Aydin

Hydrogen's role is growing as an energy carrier, increasing the need for efficient production, with methane steam reforming being the most widely used technique. This process is crucial for applications like fuel cells, where hydrogen is…

Computational Engineering, Finance, and Science · Computer Science 2025-09-16 Zofia Pizoń , Shinji Kimijima , Grzegorz Brus

In this paper, we present a surrogate-based multiscale approach to model constant strain-rate and creep experiments on unidirectional thermoplastic composites under off-axis loading. In previous contributions, these experiments were modeled…

Numerical Analysis · Mathematics 2025-01-20 M. A. Maia , I. B. C. M. Rocha , D. Kovačević , F. P. van der Meer

Reliable plasma transport modeling for magnetic confinement fusion depends on accurately resolving the ion charge state distribution and radiative power losses of the plasma. These quantities can be obtained from solutions of a…

Plasma Physics · Physics 2022-09-28 Nathan A. Garland , Romit Maulik , Qi Tang , Xian-Zhu Tang , Prasanna Balaprakash

A deep neural network was developed for the purpose of predicting thermal conductivity with a case study performed on neutron irradiated nuclear fuel. Traditional thermal conductivity modeling approaches rely on existing theoretical…

Materials Science · Physics 2019-01-04 Elizabeth Kautz , Alexander Hagen , Jesse Johns , Douglas Burkes

In recent years, there has been an increasing need for Nuclear Power Plants (NPPs) to improve flexibility in order to match the rapid growth of renewable energies. The Operator Assistance Predictive System (OAPS) developed by Framatome…

Machine Learning · Computer Science 2026-03-26 Perceval Beja-Battais , Alain Grossetête , Nicolas Vayatis

Full-vehicle crash simulations are computationally expensive, limiting their use in iterative design exploration. This work investigates learned hybrid surrogate models (MeshTransolver, MeshGeoTransolver, and MeshGeoFLARE) for predicting…

Computational Engineering, Finance, and Science · Computer Science 2026-05-13 Gabriel Curtosi , Carlos Manuel Ruiz Ruiz , Fabiola Cavaliere , Xabier Larráyoz Izcara

A novel design optimization approach (ActivO) that employs an ensemble of machine learning algorithms is presented. The proposed approach is a surrogate-based scheme, where the predictions of a weak leaner and a strong learner are utilized…

Machine Learning · Computer Science 2021-01-06 Opeoluwa Owoyele , Pinaki Pal

Surrogate models of numerical relativity simulations of merging black holes provide the most accurate tools for gravitational-wave data analysis. Neural network-based surrogates promise evaluation speedups, but their accuracy relies on…

General Relativity and Quantum Cosmology · Physics 2025-05-21 Lucy M. Thomas , Katerina Chatziioannou , Vijay Varma , Scott E. Field

Neural network surrogate models have emerged as a promising approach to model solution fields for a wide variety of boundary value problems encountered in physical modeling. Stochastic problems represent an area of particularly high…

Machine Learning · Statistics 2026-05-18 Noah Wade , Kirubel Teferra

The computational resources required to solve the full 3D inversion of time-domain electromagnetic data are immense. To overcome the time-consuming 3D simulations, we construct a surrogate model, more precisely, a data-driven statistical…

Geophysics · Physics 2024-07-10 Wouter Deleersnyder , David Dudal , Thomas Hermans

In this paper we study the efficacy of combining machine-learning methods with projection-based model reduction techniques for creating data-driven surrogate models of computationally expensive, high-fidelity physics models. Such surrogate…

Fluid Dynamics · Physics 2022-09-28 Kenny Chowdhary , Chi Hoang , Kookjin Lee , Jaideep Ray

The nuclear fuel loading pattern optimization problem belongs to the class of large-scale combinatorial optimization. It is also characterized by multiple objectives and constraints, which makes it impossible to solve explicitly. Stochastic…

Machine Learning · Computer Science 2023-07-18 Paul Seurin , Koroush Shirvan

Microchannel heat sinks are an efficient cooling method for semiconductor packages. However, to properly cool increasingly complex and thermally dense circuits, microchannel designs should be improved and expanded on. In this paper,…

Fluid Dynamics · Physics 2022-12-12 Ante Sikirica , Luka Grbčić , Lado Kranjčević

Hyperparameter tuning is an omnipresent problem in machine learning as it is an integral aspect of obtaining the state-of-the-art performance for any model. Most often, hyperparameters are optimized just by training a model on a grid of…

Machine Learning · Computer Science 2019-06-28 Hadi S. Jomaa , Josif Grabocka , Lars Schmidt-Thieme

This paper considers the creation of parametric surrogate models for applications in science and engineering where the goal is to predict high-dimensional spatiotemporal output quantities of interest, such as pressure, temperature and…

Computational Physics · Physics 2022-03-24 Chi Hoang , Kenny Chowdhary , Kookjin Lee , Jaideep Ray

Bolted joints are critical in engineering for maintaining structural integrity and reliability. Accurate prediction of parameters influencing their function and behavior is essential for optimal performance. Traditional methods often fail…

Machine Learning · Computer Science 2025-08-28 Ines Boujnah , Nehal Afifi , Andreas Wettstein , Sven Matthiesen
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