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The emergence of machine learning methods in quantum chemistry provides new methods to revisit an old problem: Can the predictive accuracy of electronic structure calculations be decoupled from their numerical bottlenecks? Previous attempts…

Computational Physics · Physics 2020-08-26 M. Gastegger , A. McSloy , M. Luya , K. T. Schütt , R. J. Maurer

Machine learning algorithms based on artificial neural networks have proven very useful for a variety of classification problems. Here we apply them to a well-known problem in crystallography, namely the classification of X-ray diffraction…

Disordered Systems and Neural Networks · Physics 2019-06-19 Pascal Marc Vecsei , Kenny Choo , Johan Chang , Titus Neupert

Materials discovery is crucial for making scientific advances in many domains. Collections of data from experiments and first-principle computations have spurred interest in applying machine learning methods to create predictive models…

Material classification in natural settings is a challenge due to complex interplay of geometry, reflectance properties, and illumination. Previous work on material classification relies strongly on hand-engineered features of visual…

Computer Vision and Pattern Recognition · Computer Science 2016-09-21 Patrick Wieschollek , Hendrik P. A. Lensch

Accurately predicting eclipse events around irregular small bodies is crucial for spacecraft navigation, orbit determination, and spacecraft systems management. This paper introduces a novel approach leveraging neural implicit…

Earth and Planetary Astrophysics · Physics 2025-04-08 Giacomo Acciarini , Dario Izzo , Francesco Biscani

Complex organic molecules (COMs) are observed to be abundant in various astrophysical environments, in particular toward star forming regions they are observed both toward protostellar envelopes as well as shocked regions. Emission spectrum…

Instrumentation and Methods for Astrophysics · Physics 2026-01-14 Nina Kessler , Timea Csengeri , David Cornu , Sylvain Bontemps , Laure Bouscasse

We present a novel method for extracting moving objects from TESS data using machine learning. Our approach uses two stacked 3D U-Nets with skip connections, which we call a W-Net, to filter background and identify pixels containing moving…

Earth and Planetary Astrophysics · Physics 2026-05-13 Brian P. Powell , Jorge Martinez-Palomera , Amy Tuson , Christina Hedges , Jessie Dotson , Jordan Caraballo-Vega

Asteroid reflectance spectra provide key constraints on surface composition. Gaia DR3 enables the study of 60,518 asteroids through NUV to visible reflectance spectra. We aim to classify asteroids using Gaia DR3 spectra and provide a…

Earth and Planetary Astrophysics · Physics 2026-05-11 Fernando Tinaut-Ruano , Benoit Carry , Marjorie Galinier , Max Mahlke , Alexey Sergeyev

Moir\'e patterns made of two-dimensional (2D) materials represent highly tunable electronic Hamiltonians, allowing a wide range of quantum phases to emerge in a single material. Current modeling techniques for moir\'e electrons requires…

Mesoscale and Nanoscale Physics · Physics 2023-01-05 Diyi Liu , Mitchell Luskin , Stephen Carr

In this paper we investigate neural networks for classification in hyperspectral imaging with a focus on connecting the architecture of the network with the physics of the sensing and materials present. Spectroscopy is the process of…

Computer Vision and Pattern Recognition · Computer Science 2022-07-22 Bill Basener

The bulk compositions of small planets ($R_p< 2 \mathrm{R}_\oplus$) are directly linked to their formation histories, making reliable compositional constraints imperative for testing models of planet formation and evolution. Because…

Earth and Planetary Astrophysics · Physics 2026-01-21 Joseph Schulze , Natalie Hinkel , Wendy Panero , Cayman Unterborn

We address Earth formation from an elemental perspective, using a method similar to Rubie et al. (2015) but with updates from Dale et al. (2023) to simulate the chemical evolution of Earth's mantle during metal-silicate equilibration events…

Earth and Planetary Astrophysics · Physics 2025-03-26 Katherine I. Dale , Alessandro Morbidelli , David C. Rubie , David Nesvorny

Chemical abundance determinations from stellar spectra are challenged by observational noise, limitations in stellar models, and departures from simplifying assumptions. While traditional and supervised machine learning methods have made…

Solar and Stellar Astrophysics · Physics 2025-12-24 Theosamuele Signor , Paula Jofré , Hernan Lira , Sara Vitali , Luis Martí , Nayat Sánchez-Pi

The asteroid belt is a unique source of information on some of the most important questions facing solar system science. These questions include the sizes, numbers, types and orbital distributions of the planetesimals that formed the…

Earth and Planetary Astrophysics · Physics 2024-11-20 Stanley F. Dermott , Dan Li , Apostolos A. Christou

Aims. We developed a six-part collisional evolution model of the main asteroid belt (MB) and used it to study the contribution of the different regions of the MB to the near-earth asteroids (NEAs). Methods. We built a statistical code…

Earth and Planetary Astrophysics · Physics 2020-07-01 P. S. Zain , G. C. de Elía , R. P. Di Sisto

In the context of charge-coupled devices (CCDs), the ultraviolet (UV) region has mostly remained unexplored after the 1990s. Gaia DR3 offers the community a unique opportunity to explore tens of thousands of asteroids in the near-UV as a…

Earth and Planetary Astrophysics · Physics 2024-03-18 F. Tinaut-Ruano , J. de León , E. Tatsumi , D. Morate , M. Mahlke , P. Tanga , J. Licandro

Star compositions are essential for examining densities and compositional ranges of rocky exoplanets, testing their similarity to Earth. Stellar elemental abundances and planetary orbital data show that of the ~5000 known minerals,…

Earth and Planetary Astrophysics · Physics 2021-08-20 Keith Putirka , Caroline Dorn , Natalie Hinkel , Cayman Unterborn

We present a novel pipeline that uses a convolutional neural network (CNN) to improve the detection capability of near-Earth asteroids (NEAs) in the context of planetary defense. Our work aims to minimize the dependency on human…

We preprocess the raw NMR spectrum and extract key characteristic features by using two different methodologies, called equidistant sampling and peak sampling for subsequent substructure pattern recognition; meanwhile may provide the…

Quantitative Methods · Quantitative Biology 2021-07-27 Chongcan Li , Yong Cong , Weihua Deng

The growing number of seismic and elastic attributes poses a challenge, making the full benefit from each attribute in characterizing geological formation very difficult, if not impossible. Various approaches are routinely employed to…

Geophysics · Physics 2024-10-30 Mohammed Farfour , Rachid Hedjam , Douglas Foster , Said Gaci