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Recent advances in machine learning (ML) methods have led to substantial improvement in materials property prediction against community benchmarks, but an excellent benchmark score may not imply good generalization of performance. Here we…

Materials Science · Physics 2023-04-26 Kangming Li , Brian DeCost , Kamal Choudhary , Michael Greenwood , Jason Hattrick-Simpers

Liquid metals are central to energy-storage and nuclear technologies, yet quantitative knowledge of their thermophysical properties remains limited. While atomistic simulations offer a route to computing liquid properties directly from…

Materials Science · Physics 2026-01-09 Alex Tai , Jason Ogbebor , Rodrigo Freitas

Universal machine learned interatomic potentials (uMLIPs) embody a growing area of interest due to their transferability across the periodic table, displaying an error of about 0.6 kcal/mol against the Matbench Discovery test set. However,…

Materials Science · Physics 2026-03-12 Nicolas Wong , Julia H. Yang

Atmospheric models used for weather and climate prediction are traditionally formulated in a deterministic manner. In other words, given a particular state of the resolved scale variables, the most likely forcing from the sub-grid scale…

Machine Learning · Computer Science 2024-02-16 Hannah M. Christensen , Salah Kouhen , Greta Miller , Raghul Parthipan

The fast and accurate estimation of planetary mass-loss rates is critical for planet population and evolution modelling. We use machine learning (ML) for fast interpolation across an existing large grid of hydrodynamic upper atmosphere…

Earth and Planetary Astrophysics · Physics 2025-02-04 Amit Reza , Daria Kubyshkina , Luca Fossati , Christiane Helling

The global sensitivity analysis of a complex numerical model often calls for the estimation of variance-based importance measures, named Sobol' indices. Metamodel-based techniques have been developed in order to replace the cpu…

Computation · Statistics 2011-04-22 Amandine Marrel , Bertrand Iooss , Michel Jullien , Beatrice Laurent , Elena Volkova

Predicting Arctic sea ice extent is a notoriously difficult forecasting problem, even for lead times as short as one month. Motivated by Arctic intraannual variability phenomena such as reemergence of sea surface temperature and sea ice…

Atmospheric and Oceanic Physics · Physics 2018-10-17 Darin Comeau , Dimitrios Giannakis , Zhizhen Zhao , Andrew J. Majda

Ocean mesoscale eddies are often poorly represented in climate models, and therefore, their effects on the large scale circulation must be parameterized. Traditional parameterizations, which represent the bulk effect of the unresolved…

Atmospheric and Oceanic Physics · Physics 2024-10-23 Pavel Perezhogin , Cheng Zhang , Alistair Adcroft , Carlos Fernandez-Granda , Laure Zanna

Deep learning is a powerful tool to represent subgrid processes in climate models, but many application cases have so far used idealized settings and deterministic approaches. Here, we develop stochastic parameterizations with calibrated…

Machine-learning interatomic potentials (MLPs) are fast, data-driven surrogate models of atomistic systems' potential energy surfaces that can accelerate ab-initio molecular dynamics (MD) simulations by several orders of magnitude. The…

Materials Science · Physics 2024-09-23 Thomas Bischoff , Bastian Jäckl , Matthias Rupp

Water's unique hydrogen-bonding network and anomalous properties pose significant challenges for accurately modeling its structural, thermodynamic, and transport behavior across varied conditions. Although machine-learned potentials have…

Chemical Physics · Physics 2025-08-29 Ke Xu , Ting Liang , Nan Xu , Penghua Ying , Shunda Chen , Ning Wei , Jianbin Xu , Zheyong Fan

The interpretation of observations of atomic and molecular tracers in the galactic and extragalactic interstellar medium (ISM) requires comparisons with state-of-the-art astrophysical models to infer some physical conditions. Usually, ISM…

Neural networks are a promising technique for parameterizing sub-grid-scale physics (e.g. moist atmospheric convection) in coarse-resolution climate models, but their lack of interpretability and reliability prevents widespread adoption.…

Atmospheric and Oceanic Physics · Physics 2020-12-30 Noah D. Brenowitz , Tom Beucler , Michael Pritchard , Christopher S. Bretherton

We present a data-driven, differentiable neural network model designed to learn the temperature field, its gradient, and the cooling rate, while implicitly representing the melt pool boundary as a level set in laser powder bed fusion. The…

Accurate predictions of basal melt rates on ice shelves are necessary for precise projections of the future behaviour of ice sheets. The computational expense associated with completely resolving the cavity circulation using an ocean model…

Fluid Dynamics · Physics 2022-03-17 Alexander T Bradley , C. Rosie Williams , Adrian Jenkins , Robert Arthern

Machine learning has been increasingly applied in climate modeling on system emulation acceleration, data-driven parameter inference, forecasting, and knowledge discovery, addressing challenges such as physical consistency, multi-scale…

Antarctic sea ice has undergone unprecedented changes in recent years, raising questions about how this key geophysical system is responding to climate change. Decades of slow expansion were replaced by a precipitous decline in 2014-2017, a…

Atmospheric and Oceanic Physics · Physics 2026-05-28 Peter Yatsyshin , Karl Lapo , Oliver Strickson , Louisa van Zeeland , J. Scott Hosking , J. Nathan Kutz

Data-driven machine learning models for weather forecasting have made transformational progress in the last 1-2 years, with state-of-the-art ones now outperforming the best physics-based models for a wide range of skill scores. Given the…

Recent rapid loss of the Arctic sea ice motivates the study of the Arctic sea ice thickness. Global climate model that describes the ice's thickness evolution requires an accurate spatial temperature profile of the Arctic sea ice. However,…

Optimization and Control · Mathematics 2019-01-31 Shumon Koga , Miroslav Krstic

Climate change results in altered air and water temperatures. Increases affect physicochemical properties, such as oxygen concentration, and can shift species distribution and survival, with consequences for ecosystem functioning and…

Machine Learning · Computer Science 2021-10-11 Stefanie Mohr , Konstantina Drainas , Juergen Geist
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