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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

Shape-constrained nonparametric regression is a growing area in econometrics, statistics, operations research, machine learning and related fields. In the field of productivity and efficiency analysis, recent developments in the…

Computation · Statistics 2021-09-28 Sheng Dai , Yu-Hsueh Fang , Chia-Yen Lee , Timo Kuosmanen

The freud Python package is a powerful library for analyzing simulation data. Written with modern simulation and data analysis workflows in mind, freud provides a Python interface to fast, parallelized C++ routines that run efficiently on…

This paper describes PyOED, a highly extensible scientific package that enables developing and testing model-constrained optimal experimental design (OED) for inverse problems. Specifically, PyOED aims to be a comprehensive Python toolkit…

Mathematical Software · Computer Science 2023-12-20 Abhijit Chowdhary , Shady E. Ahmed , Ahmed Attia

We present here Nested_fit, a Bayesian data analysis code developed for investigations of atomic spectra and other physical data. It is based on the nested sampling algorithm with the implementation of an upgraded lawn mower robot method…

Atomic Physics · Physics 2024-01-30 Martino Trassinelli

SpectraMatcher is a cross-platform desktop application for interactive comparison of experimental and computed vibronic spectra, designed to assist in the recognition and assignment of spectral patterns. It provides an intuitive graphical…

Chemical Physics · Physics 2025-05-15 Johanna Langner , Isabelle Weber , Henryk A. Witek , Yuan-Pern Lee

Parameter estimation via unbinned maximum likelihood fits is a central technique in particle physics. This article introduces MoreFit, which aims to provide a more optimised, rapid and efficient fitting solution for unbinned maximum…

Data Analysis, Statistics and Probability · Physics 2026-02-05 Christoph Langenbruch

We present FitTeD, a public light curve and spectral fitting Python-package based on evolving relativistic discs. At its heart this package uses the solutions of the time dependent general relativistic disc equations to compute multi-band…

High Energy Astrophysical Phenomena · Physics 2024-08-28 Andrew Mummery , Edward Nathan , Adam Ingram , M Gardner

I present a Python package developed for fitting Voigt profiles to absorption lines. The software fits multiple components for various atomic lines simultaneously allowing parameters to be tied and fixed. Moreover, the code is able to…

Instrumentation and Methods for Astrophysics · Physics 2018-03-06 Jens-Kristian Krogager

I present a new FITS viewer designed to explore 3D spectral line data (in particular HI) and assist with visual source extraction and analysis. Using the artistic software Blender, FRELLED can visualise even large (~600^3 voxels) data sets…

Instrumentation and Methods for Astrophysics · Physics 2015-10-14 Rhys Taylor

In order to get accurate information about complex systems depending on a lot of parameters, frequently different experimental methods and/or different experimental conditions are used. The evaluation of these data sets is quite often a…

Other Condensed Matter · Physics 2009-07-17 Sz. Sajti , L. Deák , L. Bottyán

High-throughput material screening for the discovery and design of novel functional materials requires automatized analyses of theoretical and experimental data. Here we study the subject of human-free analyses of one-dimensional…

Materials Science · Physics 2022-01-13 Seong-Heum Park , Hyeong Seon Park , Hyunbok Lee , Heung-Sik Kim

Deep functional maps, leveraging learned feature extractors and spectral correspondence solvers, are fundamental to non-rigid 3D shape matching. Based on an analysis of open-source implementations, we find that standard functional map…

Computer Vision and Pattern Recognition · Computer Science 2026-04-14 Yizheng Xie , Lennart Bastian , Congyue Deng , Thomas W. Mitchel , Maolin Gao , Daniel Cremers

I present the Automated Line Fitting Algorithm, ALFA, a new code which can fit emission line spectra of arbitrary wavelength coverage and resolution, fully automatically. In contrast to traditional emission line fitting methods which…

Solar and Stellar Astrophysics · Physics 2016-01-20 Roger Wesson

Context. Inferring spectral parameters from X-ray data is one of the cornerstones of high-energy astrophysics, and is achieved using software stacks that have been developed over the last twenty years and more. However, as models get more…

Instrumentation and Methods for Astrophysics · Physics 2024-10-23 Simon Dupourqué , Didier Barret , Camille M. Diez , Sébastien Guillot , Erwan Quintin

In many science and engineering settings, system dynamics are characterized by governing PDEs, and a major challenge is to solve inverse problems (IPs) where unknown PDE parameters are inferred based on observational data gathered under…

Machine Learning · Computer Science 2025-03-11 Apivich Hemachandra , Gregory Kang Ruey Lau , See-Kiong Ng , Bryan Kian Hsiang Low

We provide a suite of public open-source spectral data-reduction software to rapidly obtain scientific products from all forms of long-slit-like spectroscopic observations. Automated SpectroPhotometric REDuction (ASPIRED) is a Python-based…

Instrumentation and Methods for Astrophysics · Physics 2023-06-16 Marco C. Lam , Robert J. Smith , Iair Arcavi , Iain A. Steele , Josh Veitch-Michaelis , Lukasz Wyrzykowski

Machine learning has enabled differential cross section measurements that are not discretized. Going beyond the traditional histogram-based paradigm, these unbinned unfolding methods are rapidly being integrated into experimental workflows.…

High Energy Physics - Phenomenology · Physics 2025-05-28 Ryan Milton , Vinicius Mikuni , Trevin Lee , Miguel Arratia , Tanvi Wamorkar , Benjamin Nachman

New and upgraded radio interferometers produce data at massive rates and will require significant improvements in analysis techniques to reach their promised levels of performance in a routine manner. Until these techniques are fully…

Instrumentation and Methods for Astrophysics · Physics 2012-06-29 Peter K. G. Williams , Casey J. Law , Geoffrey C. Bower

Laboratory scientists are well equipped with statistical tools for univariate data, yet many phenomena of scientific interest are time-variant or otherwise multidimensional. Functional data analysis is one way of approaching such data: by…

Computation · Statistics 2023-02-28 Julian Lehrer , Mircea Teodorescu , Yohei Rosen
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