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Many research fields are currently reckoning with issues of poor levels of reproducibility. Some label it a "crisis", and research employing or building Machine Learning (ML) models is no exception. Issues including lack of transparency,…

Software Engineering · Computer Science 2025-02-27 Harald Semmelrock , Tony Ross-Hellauer , Simone Kopeinik , Dieter Theiler , Armin Haberl , Stefan Thalmann , Dominik Kowald

Computational experiments have become essential for scientific discovery, allowing researchers to test hypotheses, analyze complex datasets, and validate findings. However, as computational experiments grow in scale and complexity, ensuring…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-04-03 Eleni Adamidi , Panayiotis Deligiannis , Nikos Foutris , Thanasis Vergoulis

A common concern in experimental research is the auditability and reproducibility of experiments. Experiments are usually designed, provisioned, managed, and analyzed by diverse teams of specialists (e.g., researchers, technicians and…

Research processes often rely on high-performance computing (HPC), but HPC is often seen as antithetical to "reproducibility": one would have to choose between software that achieves high performance, and software that can be deployed in a…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-03-16 Ludovic Courtès

Several philosophical issues in connection with computer simulations rely on the assumption that results of simulations are trustworthy. Examples of these include the debate on the experimental role of computer simulations \cite{Parker2009,…

Other Computer Science · Computer Science 2019-04-03 Juan M. Durán , Nico Formanek

As computational work becomes more and more integral to many aspects of scientific research, computational reproducibility has become an issue of increasing importance to computer systems researchers and domain scientists alike. Though…

Software Engineering · Computer Science 2015-03-06 Carl Boettiger

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

Deep learning is catalyzing a scientific revolution fueled by big data, accessible toolkits, and powerful computational resources, impacting many fields including protein structural modeling. Protein structural modeling, such as predicting…

Biomolecules · Quantitative Biology 2020-07-17 Wenhao Gao , Sai Pooja Mahajan , Jeremias Sulam , Jeffrey J. Gray

With the relentless rise of computer power, there is a widespread expectation that computers can solve the most pressing problems of science, and even more besides. We explore the limits of computational modelling and conclude that, in the…

Computers and Society · Computer Science 2021-04-28 Peter V. Coveney , Roger R. Highfield

Modeling and simulation are recognized as important aspects of the scientific method for more than 70 years but its adoption in biology has been slow. Debates on its representativeness, usefulness, and whether the effort spent on such…

Quantitative Methods · Quantitative Biology 2023-02-21 Maurice HT Ling

Being able to duplicate published research results is an important process of conducting research whether to build upon these findings or to compare with them. This process is called "replicability" when using the original authors'…

Digital Libraries · Computer Science 2020-05-07 Nicolas Bonneel , David Coeurjolly , Julie Digne , Nicolas Mellado

Context: The need of replicating empirical studies in Computer Science (CS) is widely recognized among the research community to consolidate acquired knowledge generalizing results. It is essential to report the changes of each replication…

Software Engineering · Computer Science 2022-06-28 Margarita Cruz , Beatriz Bernárdez , Amador Durán , Cathy Guevara-Vega , Antonio Ruiz-Cortés

Replication packages are crucial for enabling transparency, validation, and reuse in software engineering (SE) research. While artifact sharing is now a standard practice and even expected at premier SE venues such as ICSE, the practical…

Software Engineering · Computer Science 2026-03-24 Al Muttakin , Saikat Mondal , Chanchal K. Roy

Software is now a vital scientific instrument, providing the tools for data collection and analysis across disciplines from bioinformatics and computational physics, to the humanities. The software used in research is often home-grown and…

Software Engineering · Computer Science 2019-03-15 Mario Rosado de Souza , Robert Haines , Markel Vigo , Caroline Jay

Obtaining a relevant dataset is central to conducting empirical studies in software engineering. However, in the context of mining software repositories, the lack of appropriate tooling for large scale mining tasks hinders the creation of…

Software Engineering · Computer Science 2023-06-21 Romain Lefeuvre , Jessie Galasso , Benoit Combemale , Houari Sahraoui , Stefano Zacchiroli

Even though computational reproducibility is widely accepted as necessary for research validation and reuse, it is often not considered during the research process. This is because reproducibility tools are typically stand-alone and require…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-03-04 Ana Trisovic , Chris R. Jones , Ben Couturier , Marco Clemencic

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

The quality of scientific code is a critical concern for the research community. Poorly written code can result in irreproducible results, incorrect findings, and slower scientific progress. In this study, we evaluate scientific code…

Software Engineering · Computer Science 2026-03-25 Shun Kashiwa , Ayla Kurdak , Savitha Ravi , Ridhi Srikanth , Angel Thakur , Sonia Chandra , Jonathan Truong , Michael Coblenz

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