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Virtual screening can accelerate drug discovery by identifying promising candidates for experimental evaluation. Machine learning is a powerful method for screening, as it can learn complex structure-property relationships from experimental…

Machine Learning · Computer Science 2021-02-22 Simon Axelrod , Rafael Gomez-Bombarelli

Context. Recently our ability to study stars using asteroseismic techniques has increased dramatically, largely through the use of space based photometric observations. Work has also been done using ground based spectroscopic observations…

Solar and Stellar Astrophysics · Physics 2018-10-03 Jesper Schou

Spatial Independent Components Analysis (ICA) is increasingly used in the context of functional Magnetic Resonance Imaging (fMRI) to study cognition and brain pathologies. Salient features present in some of the extracted Independent…

In recent years the machine learning techniques have shown a great potential in various problems from a multitude of disciplines, including materials design and drug discovery. The high computational speed on the one hand and the accuracy…

Chemical Physics · Physics 2018-05-09 Konstantin Gubaev , Evgeny V. Podryabinkin , Alexander V. Shapeev

Large sky surveys are increasingly relying on image subtraction pipelines for real-time (and archival) transient detection. In this process one has to contend with varying PSF, small brightness variations in many sources, as well as…

Instrumentation and Methods for Astrophysics · Physics 2018-04-25 Nima Sedaghat , Ashish Mahabal

We investigate the application of neural networks to the automation of MK spectral classification. The data set for this project consists of a set of over 5000 optical (3800-5200 AA) spectra obtained from objective prism plates from the…

Astrophysics · Physics 2009-10-30 Coryn A. L. Bailer-Jones , Mike Irwin , Ted von Hippel

Machine learning is applied to investigate the phase transition of two-dimensional complex plasmas. The Langevin dynamics simulation is employed to prepare particle suspensions in various thermodynamic states. Based on the resulted particle…

Plasma Physics · Physics 2023-07-25 He Huang , Vladimir Nosenko , Han-Xiao Huang-Fu , Hubertus M. Thomas , Cheng-Ran Du

Color Doppler echocardiography enables visualization of blood flow within the heart. However, the limited frame rate impedes the quantitative assessment of blood velocity throughout the cardiac cycle, thereby compromising a comprehensive…

Image and Video Processing · Electrical Eng. & Systems 2024-08-22 Julia Puig , Denis Friboulet , Hang Jung Ling , François Varray , Jonathan Porée , Jean Provost , Damien Garcia , Fabien Millioz

Modern datasets often contain ballast as redundant or low-utility information that increases dimensionality, storage requirements, and computational cost without contributing meaningful analytical value. This study introduces a generalized,…

Machine Learning · Computer Science 2026-02-20 Yaroslav Solovko

Due to the ever-expanding volume of observed spectroscopic data from surveys such as SDSS and LAMOST, it has become important to apply artificial intelligence (AI) techniques for analysing stellar spectra to solve spectral classification…

Solar and Stellar Astrophysics · Physics 2020-01-08 Kaushal Sharma , Ajit Kembhavi , Aniruddha Kembhavi , T. Sivarani , Sheelu Abraham , Kaustubh Vaghmare

Accurate molecular spectroscopy in the mid-infrared region allows precision measurements of fundamental constants. For instance, measuring the linewidth of an isolated Doppler-broadened absorption line of ammonia around 10 $\mu$m enables a…

Coherent beam combination of multiple fibres can be used to overcome limitations such as the power handling capability of single fibre configurations. In such a scheme, the focal intensity profile is critically dependent upon the relative…

Image and Video Processing · Electrical Eng. & Systems 2021-11-02 Ben Mills , James A. Grant-Jacob , Matthew Praeger , Robert. W. Eason , Johan Nilsson , Michalis N. Zervas

Multiple time scale stochastic dynamical systems are ubiquitous in science and engineering, and the reduction of such systems and their models to only their slow components is often essential for scientific computation and further analysis.…

Dynamical Systems · Mathematics 2015-01-22 Carmeline J. Dsilva , Ronen Talmon , C. William Gear , Ronald R. Coifman , Ioannis G. Kevrekidis

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 propose an empirical method for identifying low damped modes and corresponding mode shapes using frequency measurements from a Wide Area Monitoring System. The method consists of two main steps: Firstly, Complex Principal Component…

Signal Processing · Electrical Eng. & Systems 2021-02-02 Hallvar Haugdal , Kjetil Uhlen

Many optical measurement techniques, such as light scattering from wavelength-scale particles or detecting motion from a surface with an optical lever, encode information in a complex radiation pattern. Extracting all available information…

Quantum Physics · Physics 2025-12-22 Youssef Tawfik , Shan Hao , Thomas P. Purdy

In the field of transmission electron microscopy, data interpretation often lags behind acquisition methods, as image processing methods often have to be manually tailored to individual datasets. Machine learning offers a promising approach…

Image and Video Processing · Electrical Eng. & Systems 2021-07-07 C. K. Groschner , Christina Choi , M. C. Scott

In this study, we present a novel approach along with the needed computational strategies for efficient and scalable feature engineering of the crystal structure in compounds of different chemical compositions. This approach utilizes a…

Materials Science · Physics 2021-05-25 Prathik R. Kaundinya , Kamal Choudhary , Surya R. Kalidindi

Accurate subsurface scattering solutions require the integration of optical material properties along many complicated light paths. We present a method that learns a simple geometric approximation of random paths in a homogeneous volume of…

Graphics · Computer Science 2020-11-09 Ludwig Leonard , Kevin Hoehlein , Ruediger Westermann

This paper presents a data processing pipeline designed to extract information from the hyperspectral signature of unknown space objects. The methodology proposed in this paper determines the material composition of space objects from…

Instrumentation and Methods for Astrophysics · Physics 2024-01-30 Massimiliano Vasile , Lewis Walker , Andrew Campbell , Simao Marto , Paul Murray , Stephen Marshall , Vasili Savitski