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We show how machine learning techniques based on Bayesian inference can be used to reach new levels of realism in the computer simulation of molecular materials, focusing here on water. We train our machine-learning algorithm using…

Materials Science · Physics 2013-02-25 Albert P. Bartok , Michael J. Gillan , Frederick R. Manby , Gabor Csanyi

As the sophistication of Machine Learning Force Fields (MLFF) increases to match the complexity of extended molecules and materials, so does the need for tools to properly analyze and assess the practical performance of MLFFs. To go beyond…

Chemical Physics · Physics 2023-08-15 Gregory Fonseca , Igor Poltavsky , Alexandre Tkatchenko

Monitoring feeding behaviour is a relevant task for efficient herd management and the effective use of available resources in grazing cattle. The ability to automatically recognise animals' feeding activities through the identification of…

Atomistic or ab-initio molecular dynamics simulations are widely used to predict thermodynamics and kinetics and relate them to molecular structure. A common approach to go beyond the time- and length-scales accessible with such…

Applications of machine learning (ML) techniques to operational settings often face two challenges: i) ML methods mostly provide point predictions whereas many operational problems require distributional information; and ii) They typically…

Machine Learning · Computer Science 2024-08-05 Ragip Gurlek , Francis de Vericourt , Donald K. K. Lee

Deep multi-view clustering incorporating graph learning has presented tremendous potential. Most methods encounter costly square time consumption w.r.t. data size. Theoretically, anchor-based graph learning can alleviate this limitation,…

Machine Learning · Computer Science 2025-04-15 Bocheng Wang , Chusheng Zeng , Mulin Chen , Xuelong Li

Radiation exposure at aviation altitudes presents significant health risks to aircrews due to the cumulative effects of ionizing radiation. Physics-based models estimate radiation levels based on geophysical and atmospheric parameters, but…

Space Physics · Physics 2025-11-27 Sanjib K C , Viacheslav M Sadykov , Dustin Kempton

The problem of classifying turbulent environments from partial observation is key for some theoretical and applied fields, from engineering to earth observation and astrophysics, e.g. to precondition searching of optimal control policies in…

Fluid Dynamics · Physics 2022-10-19 Michele Buzzicotti , Fabio Bonaccorso

Deep neural networks can generate more accurate shale gas production forecasts in counties with a limited number of sample wells by utilizing transfer learning. This paper provides a way of transferring the knowledge gained from other deep…

Machine Learning · Computer Science 2021-06-22 Omar S. Alolayan , Samuel J. Raymond , Justin B. Montgomery , John R. Williams

The problem of state estimation for unobservable distribution systems is considered. A deep learning approach to Bayesian state estimation is proposed for real-time applications. The proposed technique consists of distribution learning of…

Machine Learning · Statistics 2019-02-26 Kursat Rasim Mestav , Jaime Luengo-Rozas , Lang Tong

Solar flares are explosions in the solar atmosphere that release intense bursts of short-wavelength radiation and are capable of producing severe space-weather consequences. Flares release free energy built up in coronal fields, which are…

Solar and Stellar Astrophysics · Physics 2020-08-05 Shamik Bhattacharjee , Rasha Alshehhi , Dattaraj B. Dhuri , Shravan M. Hanasoge

In order to efficiently analyse the vast amount of data generated by solar space missions and ground-base instruments, modern machine learning techniques such as decision trees, support vector machines (SVMs) and neural networks can be very…

Solar and Stellar Astrophysics · Physics 2020-05-28 Teri Love , Thomas Neukirch , Clare E. Parnell

Analyzing air pollution data is challenging as there are various analysis focuses from different aspects: feature (what), space (where), and time (when). As in most geospatial analysis problems, besides high-dimensional features, the…

Machine Learning · Computer Science 2022-02-14 Yun-Hsin Kuo , Takanori Fujiwara , Charles C. -K. Chou , Chun-houh Chen , Kwan-Liu Ma

Blazars are known to show periods of quiescence followed by outbursts visible throughout the electromagnetic spectrum. We present a novel maximum likelihood approach to capture this bimodal behavior by examining blazar radio variability in…

High Energy Astrophysical Phenomena · Physics 2017-03-30 I. Liodakis , V. Pavlidou , T. Hovatta , W. Max-Moerbeck , T. J. Pearson , J. L. Richards , A. C. S. Readhead

We present a machine learning-based mesh refinement technique for steady and unsteady flows. The clustering technique proposed by Otmani et al. arXiv:2207.02929 [physics.flu-dyn] is used to mark the viscous and turbulent regions for the…

Fluid Dynamics · Physics 2022-09-07 Kenza Tlales , Kheir-Eddine Otmani , Gerasimos Ntoukas , Gonzalo Rubio , Esteban Ferrer

Fuel moisture content (FMC) is a key predictor for wildfire rate of spread (ROS). Machine learning models of FMC are being used more in recent years, augmenting or replacing traditional physics-based approaches. Wildfire rate of spread…

Applications · Statistics 2025-01-22 Jonathon Hirschi

Big data and machine learning are driving comprehensive economic and social transformations and are rapidly re-shaping the toolbox and the methodologies of applied scientists. Machine learning tools are designed to learn functions from data…

Fluid Dynamics · Physics 2024-04-16 M. A. Mendez , J. Dominique , M. Fiore , F. Pino , P. Sperotto , J. Van den Berghe

This paper proposes a machine learning-based methodology for the classification of various oil samples based on their dielectric properties, utilizing a microwave resonant sensor. The dielectric behaviour of oils, governed by their…

Machine Learning · Computer Science 2025-06-12 Amit Baran Dey , Wasim Arif , Rakhesh Singh Kshetrimayum

This paper investigates the capability of Neural Networks (NNs) as alternatives to the traditional methods to analyse the performance of aerofoils used in the wind and tidal energy industry. The current methods used to assess the…

Fluid Dynamics · Physics 2025-07-23 Oliver Summerell , Gerardo Aragon-Camarasa , Stephanie Ordonez Sanchez

Jet fires are relatively small and have the least severe effects among the diverse fire accidents that can occur in industrial plants; however, they are usually involved in a process known as the domino effect, that leads to more severe…

Computer Vision and Pattern Recognition · Computer Science 2022-01-21 Carmina Pérez-Guerrero , Adriana Palacios , Gilberto Ochoa-Ruiz , Christian Mata , Joaquim Casal , Miguel Gonzalez-Mendoza , Luis Eduardo Falcón-Morales
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