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The increasing availability of high-quality optical and near-infrared spectroscopic data, as well as advances in modelling techniques, have greatly expanded the scientific potential of spectroscopic studies. However, the software tools…

Instrumentation and Methods for Astrophysics · Physics 2025-12-23 Daniele Gasparri , Lorenzo Morelli , Umberto Battino , Jairo Méndez Abreu , Adriana de Lorenzo-Cáceres

Although Raman spectroscopy is widely used for the investigation of biomedical samples and has a high potential for use in clinical applications, it is not common in clinical routines. One of the factors that obstruct the integration of…

Data Analysis, Statistics and Probability · Physics 2022-01-20 Darina Storozhuk , Oleg Ryabchykov , Juergen Popp , Thomas Bocklitz

We introduce GraSPy, a Python library devoted to statistical inference, machine learning, and visualization of random graphs and graph populations. This package provides flexible and easy-to-use algorithms for analyzing and understanding…

Social and Information Networks · Computer Science 2019-10-25 Jaewon Chung , Benjamin D. Pedigo , Eric W. Bridgeford , Bijan K. Varjavand , Hayden S. Helm , Joshua T. Vogelstein

Major advancements in fields as diverse as biology and quantum computing have relied on a multitude of microscopic techniques. All optical, electron and scanning probe microscopy advanced with new detector technologies and integration of…

Instrumentation and Detectors · Physics 2023-03-01 Rama Vasudevan , Mani Valleti , Maxim Ziatdinov , Gerd Duscher , Suhas Somnath

The analysis of experimental results with Python often requires writing many code scripts which all need access to the same set of functions. In a common field of research, this set will be nearly the same for many users. The qspec Python…

Computational Physics · Physics 2025-03-18 Patrick Müller , Wilfried Nörtershäuser

Existing Python libraries and tools lack the ability to efficiently compute statistical test results for large datasets in the presence of missing values. This presents an issue as soon as constraints on runtime and memory availability…

Mathematical Software · Computer Science 2025-05-02 Fabian Woller , Lis Arend , Christian Fuchsberger , Markus List , David B. Blumenthal

Space-filling experimental design techniques are commonly used in many computer modeling and simulation studies to explore the effects of inputs on outputs. This research presents raxpy, a Python package that leverages expressive annotation…

Mathematical Software · Computer Science 2025-01-08 Neil Ranly , Torrey Wagner

In general, most of the substances in nature exist in mixtures, and the noninvasive identification of mixture composition with high speed and accuracy remains a difficult task. However, the development of Raman spectroscopy, machine…

Signal Processing · Electrical Eng. & Systems 2022-02-02 Liangrui Pan , Peng Zhang , Chalongrat Daengngam , Mitchai Chongcheawchamnan

In modern-day astronomy, near-infrared, optical, and ultraviolet spectroscopy are indispensable for studying a wide range of phenomena, from measuring black hole masses to analyzing chemical abundances in stellar atmospheres. However,…

Instrumentation and Methods for Astrophysics · Physics 2025-07-21 Raniere de Menezes , Francesco Massaro , Michela Negro , Claudia M. Raiteri , Harold Peña-Herazo , Jose A. Acosta-Pulido

Robust estimation provides essential tools for analyzing data that contain outliers, ensuring that statistical models remain reliable even in the presence of some anomalous data. While robust methods have long been available in R, users of…

Computation · Statistics 2024-11-05 Sarah Leyder , Jakob Raymaekers , Peter J. Rousseeuw , Thomas Servotte , Tim Verdonck

Spectroscopy is a central pillar of materials characterization, providing useful information on properties like structure, composition, or excited state dynamics of a system. However, many spectroscopic techniques present challenges in…

Materials Science · Physics 2026-04-09 Amalya C. Johnson , Chris Fajardo , Leena Sansguiri , Weike Ye , Steven B. Torrisi

Structural equation modelling (SEM) is a multivariate statistical technique for estimating complex relationships between observed and latent variables. Although numerous SEM packages exist, each of them has limitations. Some packages are…

Applications · Statistics 2021-06-02 Meshcheryakov Georgy , Igolkina Anna

BayesPy is an open-source Python software package for performing variational Bayesian inference. It is based on the variational message passing framework and supports conjugate exponential family models. By removing the tedious task of…

Machine Learning · Statistics 2015-06-08 Jaakko Luttinen

SpectraPy is an Astropy affiliated package for spectroscopic data reduction. It collects algorithms and methods for data reduction of astronomical spectra obtained by through-slits spectrographs. It has been created to fill the gap in…

Instrumentation and Methods for Astrophysics · Physics 2023-02-10 Marco Fumana

pyspeckit is a toolkit and library for spectroscopic analysis in Python. We describe the pyspeckit package and highlight some of its capabilities, such as interactively fitting a model to data, akin to the historically widely-used splot…

Instrumentation and Methods for Astrophysics · Physics 2022-06-01 Adam Ginsburg , Vlas Sokolov , Miguel de Val-Borro , Erik Rosolowsky , Jaime E. Pineda , Brigitta M. Sipőcz , Jonathan D. Henshaw

Raman spectroscopy is a well established tool for the analysis of vibration spectra, which then allow for the determination of individual substances in a chemical sample, or for their phase transitions. In the…

Numerical Analysis · Mathematics 2020-07-15 Konstantin Fackeldey , Jonas Röhm , Amir Niknejad , Surahit Chewle , Marcus Weber

Fermipy is an open-source python framework that facilitates analysis of data collected by the Fermi Large Area Telescope (LAT). Fermipy is built on the Fermi Science Tools, the publicly available software suite provided by NASA for the LAT…

Instrumentation and Methods for Astrophysics · Physics 2019-08-14 Matthew Wood , Regina Caputo , Eric Charles , Mattia Di Mauro , Jeffrey Magill , Jeremy Perkins

Spectropolarimetry, the observation of polarization and intensity as a function of wavelength, is a powerful tool in stellar astrophysics. It is particularly useful for characterizing stars and circumstellar material, and for tracing the…

We introduce FDApy, an open-source Python package for the analysis of functional data. The package provides tools for the representation of (multivariate) functional data defined on different dimensional domains and for functional data that…

Mathematical Software · Computer Science 2025-03-10 Steven Golovkine
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