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All major weather and climate applications are currently developed using languages such as Fortran or C++. This is typical in the domain of high performance computing (HPC), where efficient execution is an important concern. Unfortunately,…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-15 Enrique G. Paredes , Linus Groner , Stefano Ubbiali , Hannes Vogt , Alberto Madonna , Kean Mariotti , Felipe Cruz , Lucas Benedicic , Mauro Bianco , Joost VandeVondele , Thomas C. Schulthess

Programming languages are engineered languages that allow to instruct a machine and share algorithmic information; they have a great influence on the society since they underlie almost every information technology artefact, and they are at…

Programming Languages · Computer Science 2015-10-16 Silvia Crafa

Scientific software often presents very particular requirements regarding usability, which is often completely overlooked in this setting. As computational science has emerged as its own discipline, distinct from theoretical and…

Human-Computer Interaction · Computer Science 2017-09-05 Francisco Queiroz , Raniere Silva , Jonah Miller , Sandor Brockhauser , Hans Fangohr

Scientists spend an increasing amount of time building and using software. However, most scientists are never taught how to do this efficiently. As a result, many are unaware of tools and practices that would allow them to write more…

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

Across an aggregation of EuSpRIG presentation papers, two maxims hold true: spreadsheets models are akin to software, yet spreadsheet developers are not software engineers. As such, the lack of traditional software engineering tools and…

Software Engineering · Computer Science 2018-01-31 Oliver Beavers

In a post-ChatGPT world, this paper explores the potential of leveraging scalable artificial intelligence for scientific discovery. We propose that scaling up artificial intelligence on high-performance computing platforms is essential to…

Machine Learning · Computer Science 2024-06-27 Wesley Brewer , Aditya Kashi , Sajal Dash , Aristeidis Tsaris , Junqi Yin , Mallikarjun Shankar , Feiyi Wang

In biomedical research, validation of a new scientific discovery is tied to the reproducibility of its experimental results. However, in genomics, the definition and implementation of reproducibility still remain imprecise. Here, we argue…

The package \textsf{clayton} is designed to be intuitive, user-friendly, and efficient. It offers a wide range of copula models, including Archimedean, Elliptical, and Extreme. The package is implemented in pure \textsf{Python}, making it…

Computation · Statistics 2023-06-06 Alexis Boulin

Research at the intersection of machine learning, programming languages, and software engineering has recently taken important steps in proposing learnable probabilistic models of source code that exploit code's abundance of patterns. In…

Software Engineering · Computer Science 2018-05-08 Miltiadis Allamanis , Earl T. Barr , Premkumar Devanbu , Charles Sutton

Large language models (LLMs) are playing an increasingly important role in science and engineering. For example, their ability to parse and understand human and computer languages makes them powerful interpreters and their use in…

Materials Science · Physics 2023-10-19 Juan C. Verduzco , Ethan Holbrook , Alejandro Strachan

Background: Data mining and analyzing of public Git software repositories is a growing research field. The tools used for studies that investigate a single project or a group of projects have been refined, but it is not clear whether the…

Software Engineering · Computer Science 2020-08-18 Adam Tutko , Austin Henley , Audris Mockus

We present an expository overview of technical and cultural challenges to the development and adoption of automation at various stages in the data science prediction lifecycle, restricting focus to supervised learning with structured…

Machine Learning · Computer Science 2022-08-26 Nicholas Hoell

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

Pattern matching is a powerful tool for symbolic computations, based on the well-defined theory of term rewriting systems. Application domains include algebraic expressions, abstract syntax trees, and XML and JSON data. Unfortunately, no…

Programming Languages · Computer Science 2017-10-20 Manuel Krebber , Henrik Barthels , Paolo Bientinesi

scikit-image is an image processing library that implements algorithms and utilities for use in research, education and industry applications. It is released under the liberal "Modified BSD" open source license, provides a well-documented…

Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains…

Machine Learning · Computer Science 2020-03-27 Maithra Raghu , Eric Schmidt

ChatGPT, a recently developed product by openAI, is successfully leaving its mark as a multi-purpose natural language based chatbot. In this paper, we are more interested in analyzing its potential in the field of computational biology. A…

Artificial Intelligence · Computer Science 2023-12-05 Chowdhury Rafeed Rahman , Limsoon Wong

This paper presents SunPy (version 0.5), a community-developed Python package for solar physics. Python, a free, cross-platform, general-purpose, high-level programming language, has seen widespread adoption among the scientific community,…

Distributed, large-scale quantum computing will need architectures that combine matter-based qubits with photonic links, but today's software stacks target either gate-based chips or linear-optical devices in isolation. We introduce Optyx,…