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The simplicity of Python and the power of C++ force stark choices on a scientific software stack. There have been multiple developments to mitigate language boundaries by implementing language bindings, but the impedance mismatch between…

Programming Languages · Computer Science 2023-04-07 Baidyanath Kundu , Vassil Vassilev , Wim Lavrijsen

In an era where symbolic mathematical equations are indispensable for modeling complex natural phenomena, scientific inquiry often involves collecting observations and translating them into mathematical expressions. Recently, deep learning…

Machine Learning · Computer Science 2024-03-18 Kazem Meidani , Parshin Shojaee , Chandan K. Reddy , Amir Barati Farimani

Data gridding is a common task in astronomy and many other science disciplines. It refers to the resampling of irregularly sampled data to a regular grid. We present cygrid, a library module for the general purpose programming language…

Instrumentation and Methods for Astrophysics · Physics 2016-06-08 B. Winkel , D. Lenz , L. Flöer

SkyPy is an open-source Python package for simulating the astrophysical sky. It comprises a library of physical and empirical models across a range of observables and a command-line script to run end-to-end simulations. The library provides…

AsaPy is a custom-made Python library designed to simplify and optimize the analysis of aerospace simulation data. Instead of introducing new methodologies, it excels in combining various established techniques, creating a unified,…

Three-dimensional rigid-body transforms, i.e. rotations and translations, are central to modern differentiable machine learning pipelines in robotics, vision, and simulation. However, numerically robust and mathematically correct…

Machine Learning · Computer Science 2025-11-27 Martin Schuck , Alexander von Rohr , Angela P. Schoellig

"Computational experiments" use code and interactive visualizations to convey mathematical and physical concepts in an intuitive way, and are increasingly used to support ex cathedra lecturing in scientific and engineering disciplines.…

The use of Python is noticeably growing among the scientific community, and Astronomy is not an exception. The power of Python consists of being an extremely versatile high-level language, easy to program that combines both traditional…

Instrumentation and Methods for Astrophysics · Physics 2018-07-16 Daniel M. Faes

scikit-multilearn is a Python library for performing multi-label classification. The library is compatible with the scikit/scipy ecosystem and uses sparse matrices for all internal operations. It provides native Python implementations of…

Machine Learning · Computer Science 2018-12-11 Piotr Szymański , Tomasz Kajdanowicz

The SCIP Optimization Suite provides a collection of software packages for mathematical optimization centered around the constraint integer programming framework SCIP. The focus of this paper is on the role of the SCIP Optimization Suite in…

Magpy is a C++ accelerated Python package for modelling and simulating the magnetic dynamics of nano-sized particles. Nanoparticles are modelled as a system of three-dimensional macrospins and simulated with a set of coupled stochastic…

Computational Physics · Physics 2018-01-25 Oliver Laslett , Jonathon Waters , Hans Fangohr , Ondrej Hovorka

We review the dimensional check problem of the high-level programming languages, discuss the existing solutions, and come up with a new solution suited for scientific and engineering computations. Then, we introduce Univec, our C++ library…

Computational Physics · Physics 2023-07-18 Eduard George Stan , Dan Andrei Ciubotaru , Michele Renda , Călin Alexa

The Wasserstein distance, also known as the Earth mover distance or optimal transport distance, is a widely used measure of similarity between probability distributions. This paper presents an linear programming based implementation of the…

Computation · Statistics 2025-10-29 Zehao Lu

Although many active scientific codes use modern Fortran, most contemporary scientific software "libraries" are implemented in C and C++. Providing their numerical, algorithmic, or data management features to Fortran codes requires writing…

Software Engineering · Computer Science 2019-07-04 Seth R. Johnson , Andrey Prokopenko , Katherine J. Evans

The SCIP Optimization Suite provides a collection of software packages for mathematical optimization, centered around the constraint integer programming (CIP) framework SCIP. This report discusses the enhancements and extensions included in…

We present libsharp, a code library for spherical harmonic transforms (SHTs), which evolved from the libpsht library, addressing several of its shortcomings, such as adding MPI support for distributed memory systems and SHTs of fields with…

Computational Physics · Physics 2015-06-15 Martin Reinecke , Dag Sverre Seljebotn

Scientific advancement relies on the ability to share and reproduce results. When data analysis or calculations are carried out using software written by scientists there are special challenges around code versions, quality and code…

Software Engineering · Computer Science 2025-07-09 S. Lee , C. Myers , A. Yang , T. Zhang , S. J. L. Billinge

Projections, or dimensionality reduction methods, are techniques of choice for the visual exploration of high-dimensional data. Many such techniques exist, each one of them having a distinct visual signature - i.e., a recognizable way to…

Human-Computer Interaction · Computer Science 2026-02-25 Alister Machado , Alexandru Telea , Michael Behrisch

This paper introduces PolyDiM, an open-source C++ library tailored for the development and implementation of polytopal discretization methods for partial differential equations. The library provides robust and modular tools to support…

Numerical Analysis · Mathematics 2025-05-21 Stefano Berrone , Andrea Borio , Gioana Teora , Fabio Vicini

Dealing with uncertainty in applications of machine learning to real-life data critically depends on the knowledge of intrinsic dimensionality (ID). A number of methods have been suggested for the purpose of estimating ID, but no standard…

Machine Learning · Computer Science 2023-12-07 Jonathan Bac , Evgeny M. Mirkes , Alexander N. Gorban , Ivan Tyukin , Andrei Zinovyev