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"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 trend toward open science increases the pressure on authors to provide access to the source code and data they used to compute the results reported in their scientific papers. Since sharing materials reproducibly is challenging, several…

Digital Libraries · Computer Science 2020-07-15 Markus Konkol , Daniel Nüst , Laura Goulier

A computing solution combining the GNU Guix functional package manager with the Apptainer container system is presented. This approach provides fully declarative and reproducible software environments suitable for computational materials…

During the last ten years advances in open-source digital technology, used especially by data science, led to very accessible ways how to obtain, store, process, analyze or share data in almost every human activity. Data science tools bring…

Physics Education · Physics 2020-07-27 Jozef Hanč , Peter Štrauch , Eva Paňková , Martina Hančová

Recent developments in the commercial open source community have catalysed the use of Linux containers for scalable deployment of web-based applications to the cloud. Scientific software can be containerized with dependencies, configuration…

Software Engineering · Computer Science 2015-09-30 Robert Nagler , David Bruhwiler , Paul Moeller , Stephen Webb

Computer simulations are used widely across the engineering and science disciplines, including in the research and development of magnetic devices using computational micromagnetics. In this work, we identify and review different approaches…

Computational Physics · Physics 2017-02-27 Marijan Beg , Ryan A. Pepper , Hans Fangohr

This article proposes a novel methodological approach for developing use cases for CH e-infrastuctures documented using Jupyter Notebooks (JNs), enabling transparency and reproducibility. We also address the present problem of use cases…

This open-source book represents our attempt to make deep learning approachable, teaching readers the concepts, the context, and the code. The entire book is drafted in Jupyter notebooks, seamlessly integrating exposition figures, math, and…

Machine Learning · Computer Science 2023-08-24 Aston Zhang , Zachary C. Lipton , Mu Li , Alexander J. Smola

We present NeuralMag, a flexible and high-performance open-source Python library for micromagnetic simulations. NeuralMag leverages modern machine learning frameworks, such as PyTorch and JAX, to perform efficient tensor operations on…

Critical goals of scientific computing are to increase scientific rigor, reproducibility, and transparency while keeping up with ever-increasing computational demands. This work presents an integrated framework well-suited for data…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-10-13 Paul Nuyujukian

Reproducibility is a core requirement of modern scientific research. For computational research, reproducibility means that code should produce the same results, even when run on different systems. A standard approach to ensuring…

Other Computer Science · Computer Science 2023-10-03 Paxton C. Fitzpatrick , Jeremy R. Manning

Computational notebooks have become the tool of choice for many data scientists and practitioners for performing analyses and disseminating results. Despite their increasing popularity, the research community cannot yet count on a large,…

Databases · Computer Science 2021-06-01 Luigi Quaranta , Fabio Calefato , Filippo Lanubile

Jupyter Notebook is an interactive development environment commonly used for rapid experimentation of machine learning (ML) solutions. Describing the ML activities performed along code cells improves the readability and understanding of…

Software Engineering · Computer Science 2024-03-13 Miguel Perez , Selin Aydin , Horst Lichter

The paper presents a novel cloud-based digital twin learning platform for teaching and training concepts of cognitive robotics. Instead of forcing interested learners or students to install a new operating system and bulky, fragile software…

Interactive computing notebooks, such as Jupyter notebooks, have become a popular tool for developing and improving data-driven models. Such notebooks tend to be executed either in the user's own machine or in a cloud environment, having…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-07-02 Renato L. F. Cunha , Lucas V. Real , Renan Souza , Bruno Silva , Marco A. S. Netto

We discuss what is special about the reproducibility of workflows in computer algebra. It is emphasized how the programming language Julia and the new computer algebra system OSCAR support such a reproducibility, and how users can benefit…

Mathematical Software · Computer Science 2024-04-10 Michael Joswig , Lars Kastner , Benjamin Lorenz

In recent years, Jupyter notebooks have grown in popularity in several domains of software engineering, such as data science, machine learning, and computer science education. Their popularity has to do with their rich features for…

Software Engineering · Computer Science 2022-04-01 Konstantin Grotov , Sergey Titov , Vladimir Sotnikov , Yaroslav Golubev , Timofey Bryksin

The reproducibility of scientific experiment is vital for the advancement of disciplines based on previous work. To achieve this goal, many researchers focus on complex methodology and self-invented tools which have difficulty in practical…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-12-29 Feng Zhao , Xingzhi Niu , Shao-Lun Huang , Lin Zhang

Academic trade requires juggling multiple variants of the same content published in different formats: manuscripts, presentations, posters and computational notebooks. The need to track versions to accommodate for the…

Programming Languages · Computer Science 2021-07-15 Kacper Sokol , Peter Flach

Computational reproducibility refers to obtaining consistent results when rerunning an experiment. Jupyter Notebook, a web-based computational notebook application, facilitates running, publishing, and sharing computational experiments…

Software Engineering · Computer Science 2025-09-30 A S M Shahadat Hossain , Colin Brown , David Koop , Tanu Malik