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Reliable uncertainty quantification (UQ) in machine learning (ML) regression tasks is becoming the focus of many studies in materials and chemical science. It is now well understood that average calibration is insufficient, and most studies…

Machine Learning · Statistics 2024-01-25 Pascal Pernot

Real-world data generation often involves complex inter-dependencies among instances, violating the IID-data hypothesis of standard learning paradigms and posing a challenge for uncovering the geometric structures for learning desired…

Machine Learning · Computer Science 2023-05-30 Qitian Wu , Chenxiao Yang , Wentao Zhao , Yixuan He , David Wipf , Junchi Yan

A promising approach to improve climate-model simulations is to replace traditional subgrid parameterizations based on simplified physical models by machine learning algorithms that are data-driven. However, neural networks (NNs) often lead…

Atmospheric and Oceanic Physics · Physics 2021-04-07 Janni Yuval , Paul A. O'Gorman , Chris N. Hill

Machine learning models of vastly different modalities and architectures are being trained to predict the behavior of molecules, materials, and proteins. However, it remains unclear whether they learn similar internal representations of…

Machine Learning · Computer Science 2025-12-04 Sathya Edamadaka , Soojung Yang , Ju Li , Rafael Gómez-Bombarelli

The physical state of the intergalactic medium can be probed in great detail with the intervening absorption systems seen in quasar spectra. The properties of the Hydrogen absorbers depend on many cosmological parameters, such as the…

Astrophysics · Physics 2009-11-11 Tom Theuns

While AI weather models excel at short-to-medium range forecasts (up to 15 days), they frequently suffer from ill-defined "instabilities" when rolled out over longer horizons. This work addresses the lack of a formal taxonomy by…

Machine Learning · Computer Science 2026-05-29 Fanny Lehmann , Firat Ozdemir , Yun Cheng , Torsten Hoefler , Sebastian Schemm , Benedikt Soja , Siddhartha Mishra

Seasonal climate forecasts are socioeconomically important for managing the impacts of extreme weather events and for planning in sectors like agriculture and energy. Climate predictability on seasonal timescales is tied to boundary effects…

Atmospheric and Oceanic Physics · Physics 2024-06-14 Chenggong Wang , Michael S. Pritchard , Noah Brenowitz , Yair Cohen , Boris Bonev , Thorsten Kurth , Dale Durran , Jaideep Pathak

Turbulence, namely, irregular fluctuations in space and time characterize fluid flows in general and atmospheric flows in particular.The irregular,i.e., nonlinear space-time fluctuations on all scales contribute to the unpredictable nature…

General Physics · Physics 2007-05-23 J. S. Pethkar , A. M. Selvam

We present the self-encoder, a neural network trained to guess the identity of each data sample. Despite its simplicity, it learns a very useful representation of data, in a self-supervised way. Specifically, the self-encoder learns to…

Machine Learning · Computer Science 2023-06-27 Armand Boschin , Thomas Bonald , Marc Jeanmougin

While there are many applications of ML to scientific problems that look promising, visuals can be deceiving. Using numerical analysis techniques, we rigorously quantify the accuracy, convergence rates, and generalization bounds of certain…

Machine Learning · Computer Science 2026-05-27 Alejandro Francisco Queiruga , Theo Gutman-Solo , Shuai Jiang

Micrometeorology, city comfort, land use management and air quality monitoring increasingly become important environmental issues. To serve the needs, meteorology needs to achieve a serious advance in representation and forecast on…

Atmospheric and Oceanic Physics · Physics 2010-02-09 Igor Esau

Outlier detection is a crucial analytical tool in various fields. In critical systems like manufacturing, malfunctioning outlier detection can be costly and safety-critical. Therefore, there is a significant need for explainable artificial…

Machine Learning · Computer Science 2025-02-04 Patrick Knab , Sascha Marton , Christian Bartelt , Robert Fuder

Physics-based atmosphere-land models with prescribed sea surface temperature have notable successes but also biases in their ability to represent atmospheric variability compared to observations. Recently, AI emulators and hybrid models…

Atmospheric and Oceanic Physics · Physics 2026-04-22 Ian Baxter , Hamid Pahlavan , Pedram Hassanzadeh , Katharine Rucker , Tiffany Shaw

To overcome the restriction of identical distribution assumption, invariant representation learning for unsupervised domain adaptation (UDA) has made significant advances in computer vision and pattern recognition communities. In UDA…

Computer Vision and Pattern Recognition · Computer Science 2024-07-16 You-Wei Luo , Chuan-Xian Ren , Xiao-Lin Xu , Qingshan Liu

The atmosphere is chaotic. This fundamental property of the climate system makes forecasting weather incredibly challenging: it's impossible to expect weather models to ever provide perfect predictions of the Earth system beyond timescales…

Atmospheric and Oceanic Physics · Physics 2020-12-15 Elizabeth A. Barnes , Kirsten Mayer , Benjamin Toms , Zane Martin , Emily Gordon

Global deep-learning weather prediction models have recently been shown to produce forecasts that rival those from physics-based models run at operational centers. It is unclear whether these models have encoded atmospheric dynamics, or…

Atmospheric and Oceanic Physics · Physics 2023-09-21 Gregory J. Hakim , Sanjit Masanam

Continental-scale knowledge of subsurface temperature is limited by the cost and sparsity of borehole measurements, but such information is essential for geothermal resource assessment and for understanding heat transport in the shallow…

We present a comprehensive description of the theory and practice of opacity calculations from the infrared to the ultraviolet needed to generate models of the atmospheres of brown dwarfs and extrasolar giant planets. Methods for using…

Astrophysics · Physics 2009-11-11 Christopher M. Sharp , Adam Burrows

We write a nonlinear model that predicts the climate (temperature and humidity) on the surface of a small region on Earth, perform numerical investigations using the model, and compare the results to real climate on a variety of regions on…

Atmospheric and Oceanic Physics · Physics 2020-01-24 Gabriele Di Bona , Andrea Giacobbe

Climate simulations are essential in guiding our understanding of climate change and responding to its effects. However, it is computationally expensive to resolve complex climate processes at high spatial resolution. As one way to speed up…