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Team

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Editorial board

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IT support

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Julien Chiquet (chief editor)

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Stat. learning, DR INRAE
Paris-Saclay University

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Pierre Neuvial

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Statistique, DR CNRS
IMT Toulouse

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Mathurin Massias

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Optim./Machine-Learning
CR INRIA Lyon

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Fra.-Dav. Collin

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CS/Stats/ML, IR CNRS
IMAG, Montpellier University

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Nelle Varoquaux

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Machine learning, CR CNRS
Grenoble Alpes University

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Marie-Pierre Étienne

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Statistics, MCF
Institut Agro Rennes-Angers

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Chloé Azencott

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Machine Learning
CR MinesParisTech

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Ghislain Durif

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Stats/ML/dev, IR CNRS
LBMC, ENS LYON

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What is reproducible research?

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Fundamentally, it provides three things:

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Tools to reproduce the results (that’s like cooking)

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A “recipe” to reproduce the results (still like cooking)

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A path to understanding the results and the process that led to them (unlike cooking…1)

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Pre-Computo era

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The pdf era and paper submission.

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The reproducibility was not a priority:

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  • Tools has to be bought, installed, and maintained
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  • Data and code were not shared (social engineering
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  • Even methodology details are often missing
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Pre-Computo era (2)

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And then in the Machine Learning domain, there was distill.pub [1]

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  • state-of-the art visualizations
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  • paradigm shift in the scientific publication: “distillation” of complex ideas
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  • 100% reproducible (just a git clone and a few standard commands)
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but…

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Pre-Computo era (3)

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engineering was too complex for the average scientist (a lot of javascript, etc.)

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In fact, the distill.pub project was discontinued in 2021 [2]

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distill.pub

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The Rise of the Pragmatic

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distill.pub’s goals were right, but they outpaced themselves in terms of development complexity.

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  • Computo is a fresh start with a pragmatic approach
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  • leverage what the scientific community is already using (Rmarkdown, Jupyter notebooks, etc.)
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  • \(\Rightarrow\) bring the community to the higher standards
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Computo + + +

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Origin (~ 2020s)

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French statistical society (SFdS)

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Assessment

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😔 Multiplication of “traditional” journals…

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😔 No valorization of “negative” results

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😥 No or not enough valorization of source codes and case studies

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😱 ↘ of publication quality and time dedicated to each article (on author or reviewer sides) [3]

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😱 Issue with scientific reproducibility (analyses, experiments) [49]

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Point of view

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  • Need for renewal regarding scientific research implementation
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  • Need for higher standard regarding result publications
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Philosophy

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Scientific perimeter

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Promote contribution in statistics and machine learning that provide insight into which models or methods are more appropriate to address a specific scientific question

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Open access

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  • “Diamond” open access (free to publish and free to read, possible to reuse)
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  • 🅭 🅯 Content published under CC-BY license (attribution, share, adapt)
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  • Reviews and discussions available after acceptance for publication (anonymous reviews)
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⇝ In accordance with Budapest Open Access Initiative (BOAI) and Plan S

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Reproducible

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  • Numerical (statistical) reproducibility is a necessary condition
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  • Source code and data should be available, at least partly executed and fully executable
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Note on reproducible research [1012]

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Why reproducing scientific results?

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  • To strengthen their credibility
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  • To check for errors (everyone makes error at some point!!!)
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  • To build new research upon them (science is incremental)
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Issues?

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  • Reproduce numerical scientific results is often difficult (technology/environment evolution, source code/environment configuration/software partially available or not available)
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  • Waste of time and resources to reproduce existing non-reproducible results
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Reproducible research?

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  • For others but also for your future self
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  • Improve result credibility
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  • Facilitate future research works
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Setup

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Official launch at the end of 2021

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“Economical” model

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  • A few tenacious people…
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  • Free/Open-source community tools (Pandoc, Quarto, Git forge)
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  • Institutional support (INRAE, INRIA, CNRS, SFdS)
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Functioning

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Writing system

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Notebook and literate programming
text (markdown) + math (\(\LaTeX\)) + code (Python/R/Julia), references (bib\(\TeX\))

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Publication system

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Environment management, Compilation, Multi-format publication (pdf, html)
Continuous integration/Continuous deployment (CI/CD)

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Reviewing system

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  • Anonymous exchange published after acceptance
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  • Reviewer pool (you can join)
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  • [Ongoing switch from Scholastica to Open review]
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Solutions/Prototype

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Reproducible article and computations

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Automatic editorial reproducibility

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Scientific validation

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Note on literate programming

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  • Literate programming [13]: notebook including text and code
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  • Markup formatting language: e.g. markdown
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  • Separate content from rendering (≠ “what you see is what you get” editors)
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  • Rendering includes text, code and results (from code computations)
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Note on quarto

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https://quarto.org

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  • Generalization of Rmarkdown
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  • Relying on top community tools like universal document converter Pandoc
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  • Developed and supported by RStudio/Posit
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  • Native support of complex documents (website, articles, books) and multiple languages for computations (R, Python, Julia)
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  • Management of references, citations, figures, tables, metadata, etc.
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Note on continuous integration

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  • Implementation in git forges (e.g. github actions or gitlab CI/CD)
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  • Triggered by commits
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  • Automatic tests
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  • Automatic deployment: package/software publication, website
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Credit: Pratik89Roy CC-BY-SA-4.0 from Wikimedia

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Tools for authors

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Document model

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Document template

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Git template repository

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with template notebook document + doc + pre-configured compilation and publication setup

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Locally

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  • Text editor/IDE (VS Code, Rstudio, NeoVim, etc.)
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  • Quarto (compilation)
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  • Julia / R / Python code + computations
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  • git versioning system
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Author point of view (1/3)

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Step 0: setup a git repository for your article

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Startup from a template repository (R, Python, Julia)

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Tip

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You can host your git repository on github and soon an any gitlab forge1.

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Step 1: write your article

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Let’s go, locally (same spirit as Jupyter/Rmarkdown notebooks)

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Author point of view (2/3)

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Step 2: configure the environment (dependencies management)

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venv: use a virtual environment and generate the requirements.txt file

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# requirements.txt
+jupyter
+matplotlib
+numpy
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renv: generate the renv.lock file

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renv::init()
+renv::install("ggplot2")
+# or equivalently install.packages("ggplot2")
+renv::snapshot()
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Pkg: native Julia package manager (with generated Project.toml et Manifest.toml files)

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add Plots
+add IJulia
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Configuration file versionned and used during CI compilation/publication action

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Step 3: (re)production

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A git push command will trigger your article compilation (including computations) and publication as a github page1

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See the preconfigured .github/workflows/build.yml file for the github action configuration2

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Author point of view (3/3)

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Step 4: submit your article

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If the CI process succeeds, both HTML and PDF versions are published on the github-page associated to the repository

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Scholastica Open review

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https://openreview.net/group?id=Computo

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Submit:

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  • your article PDF (scientific content review)
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  • your git repository (source code and reproducibility review)
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Editor point of view

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After a “traditionnal” review process, a 3 step procedure:

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  1. Acceptance
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  3. Pre-production
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  5. Publication in Computo (with a DOI)
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including

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  • Copy of the author git repository to https://github.com/computorg/
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  • Final version formatting
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  • Review report publication
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  • Registration in the journal bibliographic data base
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  • Copy of the repository to Software Heritage for archiving
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  • Publication of the article on the journal website
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2year and a half report

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🥲 Fully operational + doi, ISSN

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🙂 9 published articles articles, 2 in preproduction, 5 under review (more details here)

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🙂 x presentations (Montpellier, Toronto, Humastica, Grenoble, RR2023, etc.)

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🙂 French reproducible research network

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🤯 Difficult to find reviewers

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🤔 Institutional support?

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🤔 Changing of practices in the scientific community?

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Discussion

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About several choices

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  • quarto: dynamic, agnostic language, FOSS1, community-based (pandoc), Rstudio/Posit support
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  • github: dynamic, large user community but not institutional and limited computing resources
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Comparison/inspiration

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Perspectives

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  • Provision of computing resources (to be able to run all computations)
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  • Full gitlab support (CI/CD, docker, registry, etc.)
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  • Switch to a french institutional gitlab forge?
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  • Improve long-term reproducibility stack (docker container, GUIX fully reproducible environment?)
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How to help?

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  • By submitting1 your work!
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  • By becoming reviewer2
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References

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1.
Olah, C and Carter, S 2017 Research debt. Distill. DOI: https://doi.org/10.23915/distill.00005
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2.
Team, E 2021 Distill hiatus. Distill. DOI: https://doi.org/10.23915/distill.00031
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3.
Hanson, M A, Barreiro, P G, Crosetto, P, and Brockington, D 2023 The strain on scientific publishing. DOI: https://doi.org/10.48550/arXiv.2309.15884
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4.
Ioannidis, J P A 2005 Why Most Published Research Findings Are False. PLoS Medicine, 2(8): e124. DOI: https://doi.org/10.1371/journal.pmed.0020124
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5.
Steen, R G 2011 Retractions in the scientific literature: Is the incidence of research fraud increasing? Journal of Medical Ethics, 37(4): 249–253. DOI: https://doi.org/10.1136/jme.2010.040923
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6.
Allison, D B, Brown, A W, George, B J, and Kaiser, K A 2016 Reproducibility: A tragedy of errors. Nature, 530(7588): 27–29. DOI: https://doi.org/10.1038/530027a
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7.
Bastian, H 2016 Reproducibility Crisis Timeline: Milestones in Tackling Research Reliability. URL https://absolutelymaybe.plos.org/2016/12/05/reproducibility-crisis-timeline-milestones-in-tackling-research-reliability/. [Online; accessed 22-March-2023]
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8.
Whitfield, J 2021 Replication Crisis. London Review of Books, 43(19). URL https://www.lrb.co.uk/the-paper/v43/n19/john-whitfield/replication-crisis. [Online; accessed 22-March-2023]
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9.
Hernández, J A and Colom, M 2023 Repeatability, Reproducibility, Replicability, Reusability (4R) in JournalsPolicies and Software/Data Management in Scientific Publications: A Survey, Discussion, and Perspectives. URL https://hal.science/hal-04322522. [Online; accessed 4-January-2024]
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10.
Desquilbet, L L, Granger, S, Hejblum, B, Legrand, A, Pernot, P, Rougier, N P, Castro Guerra, E de, Courbin-Coulaud, M, Duvaux, L, Gravier, P, Le Campion, G, Roux, S, and Santos, F 2019 Vers une recherche reproductible. Unité régionale de formation à l’information scientifique et technique de Bordeaux. URL https://hal.science/hal-02144142
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11.
Hejblum, B P, Kunzmann, K, Lavagnini, E, Hutchinson, A, Robertson, D, Jones, S, and Eckes-Shephard, A 2020 Realistic and Robust Reproducible Research for Biostatistics. DOI: https://doi.org/10.20944/preprints202006.0002.v1
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12.
The Turing Way Community 2022 The Turing Way: A handbook for reproducible, ethical and collaborative research. DOI: https://doi.org/10.5281/zenodo.7625728
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13.
Knuth, D E 1984 Literate programming. The Computer Journal, 27(2): 97–111.
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Reproducibility considerations

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Scientific and editorial reproducibility

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Two-fold reproducibility

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The global scientific workflow of a reproducible process for a Computo may be split into two types of steps:

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External and Editorial

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External

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External
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+Process to obtain (intermediate) results utside of the notebook environment, for a list of reasons (non-exclusive to each other): +
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  • the process is too long to be conducted in a notebook
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  • the data to be processed is too big to be handled directly in the notebook
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  • it needs a specific environment (e.g. a cluster, with gpus, etc.)
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  • it needs to involve specific languages (e.g. C, C++, Fortran, etc.) or build tools (e.g. make, cmake, etc.)
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Editorial

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Editorial
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+notebook rendering with the results of the external process +
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Requirement

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If the notebook contains everything to produce the final document

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\(\Rightarrow\) “Direct reproducibility” in the sense that the notebook is the only thing needed to reproduce the results.

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Ultimately, the workflow must end with a direct reproducibility step which concludes the whole process.

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Reproducibility considerations (5)

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Data transfer
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+When applicable, the switch from external to editorial reproducibility is done with a “data transfer” step, +
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data produced by the external process \(\Rightarrow\) transferred to the notebook environment.

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Requirement

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Not only the intermediate results are provided, but also the code to transfer it in the notebook environment.

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There are a variety of software solutions to do so.

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Examples of data transfer solutions

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Intermediate results storage

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  • Python: joblib.Memory, caching mechanism for python functions, save the results of a function call to disk, and load it back later.
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  • R : .RData file format, can be loaded back in R with the load() function.
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  • If results are small enough, storing them in a text file (e.g. .csv, .tsv, .json, etc.) is also a solution.
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Transfer of the results to the notebook environment

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  • (.joblib directory or .Rdata file) could be committed to the git repository, and directly loaded in the notebook environment.
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  • Alternative, centralize input data (when large enough) and intermediate results on a shared scientific provider (we recommend Zenodo for this purpose), and download them in the notebook environment.
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+ + + + + + + + + + + + + + + + + + + + + + \ No newline at end of file diff --git a/20240618_scienceouverte/Computo.qmd b/20240618_scienceouverte/Computo.qmd new file mode 100644 index 0000000..0b0763f --- /dev/null +++ b/20240618_scienceouverte/Computo.qmd @@ -0,0 +1,814 @@ +--- +title: "COMPUTO" +subtitle: "An academic journal in statistics and machine learning promoting reproducibility and alternative publication mode" +footer: +logo: img/logo_text_vertical.png +date: 2024-06-18 +date-format: long +lang: en +format: + revealjs: + width: 1240 + height: 700 + self-contained: true + scrollable: false + theme: [default, computo.scss] + slide-number: true + smaller: true + title-slide-attributes: + data-background-image: img/logo_text_vertical.png + data-background-size: 16% + data-background-position: top 25px left 25px + preview-links: auto +bibliography: references.bib +csl: journal-of-open-research-software.csl +--- + +## Team + +:::: {.columns} +::: {.column width="60%"} +Editorial board +::: +::: {.column width="10%"} + +::: +::: {.column width="20%"} +IT support +::: +:::: + +:::: {.columns} +::: {.column width="20%"} + +#### Julien Chiquet (chief editor) + +Stat. learning, DR INRAE
+Paris-Saclay University
+ +![](../people/julien.jpg){width='120'} + +::: +::: {.column width="20%"} + +#### Pierre Neuvial + +Statistique, DR CNRS
+IMT Toulouse
+ +![](../people/pierre.jpg){width='120'} + +::: +::: {.column width="20%"} + +#### Mathurin Massias + +Optim./Machine-Learning
+CR INRIA Lyon
+ +![](../people/mathurin.jpg){width='120'} + +::: +::: {.column width="10%"} + +::: +::: {.column width="20%"} + +#### Fra.-Dav. Collin + +CS/Stats/ML, IR CNRS
+IMAG, Montpellier University
+ +![](../people/fradav.jpg){width='120'} + +::: +:::: + +:::: {.columns} +::: {.column width="20%"} + +#### Nelle Varoquaux + +Machine learning, CR CNRS
+Grenoble Alpes University
+ +![](../people/nelle.jpg){width='120'} + +::: +::: {.column width="20%"} + +#### Marie-Pierre Étienne + +Statistics, MCF
+Institut Agro Rennes-Angers
+ +![](../people/marie-pierre.jpg){width='120'} + +::: +::: {.column width="20%"} + +#### Chloé Azencott + +Machine Learning
+CR MinesParisTech
+ +![](../people/chloe.jpg){width='120'} + +::: +::: {.column width="10%"} + +::: +::: {.column width="20%"} + +#### Ghislain Durif + +Stats/ML/dev, IR CNRS
+LBMC, ENS LYON
+ +![](../people/ghislain.jpg){width='120'} + +::: +:::: + +## What is reproducible research? + +Fundamentally, it provides three things: + +:::: { layout="[[20,80],[20,80],[20,80]]" layout-valign="center"} + +![](img/mix.svg){ width="100" } + +Tools to reproduce the results (that’s like cooking) + + +![](img/recipe.svg){ width="100" } + +A “recipe” to reproduce the results (still like cooking) + +![](img/head-side-thinking.svg){ width="100" height="100" } + +A path to understanding the results and the process that led to them (unlike cooking…^[Even so, we may discuss the fact that blindly following recipes will not make you a good cook.]) + +:::: + +## Pre-Computo era + +:::::{.r-stack} +::: {layout-ncol=2} + +::::{} +![](img/gutenberg-press.png) +:::: + +::::{} +The pdf era and paper submission. + +The reproducibility was not a priority: + +- Tools has to be bought, installed, and maintained +- Data and code were not shared (social engineering +- Even methodology details are often missing +:::: + + +::: + +![](img/perplex-scentist.jpg){ .center .fragment width="600"} + +::::: + +::: {.notes} +Social engineering is required to get reproducible results: at best you just have to ask the authors, at worst you have to reverse-engineer everything… and have no guarantee whatsoever to get to the same results, when authors are in a "Après moi, le déluge" mood and ditch, forget or let it crumble once the paper is published. +::: + +## Pre-Computo era (2) + +![](img/minority-report_header.webp){ width="600" fig-align="center" } + +And then in the Machine Learning domain, there was [distill.pub](https://distill.pub/2016/misread-tsne/){preview-link="true"} @olah2017research + +- state-of-the art visualizations +- paradigm shift in the scientific publication: **“distillation” of complex ideas** +- 100% reproducible (just a git clone and a few standard commands) + +but… + +## Pre-Computo era (3) + +:::{ layout="[45,-10,45]"} + +![](img/hard-work.webp) + +:::::{} + +… **engineering was too complex** for the average scientist (a lot of javascript, etc.) + +In fact, the distill.pub project was discontinued in 2021 @team2021distill + +::::{.r-stack} + +:::{.r-fit-text layout-align="center" style="color: lightgray;"} +distill.pub +::: + +![](img/RIP.png){width="400" fig-align="center"} + +:::: + +::::: +::: + +::: {.notes} +Due to a series of burnouts from the staff +::: + +## The Rise of the Pragmatic { auto-animate=true auto-animate-easing="ease-in-out } + +[distill.pub](https://distill.pub)’s goals were right, but they outpaced themselves in terms of development complexity. + +- **Computo** is a fresh start with a pragmatic approach +- leverage what the scientific community is already using (Rmarkdown, Jupyter notebooks, etc.) +- $\Rightarrow$ *bring the community* to the higher standards + + +:::{ data-id="where-computo-stands" } +![](img/where-computo-stands2.svg) +::: + +## Origin (~ 2020s) + +[French statistical society](https://www.sfds.asso.fr/) (SFdS) + +::: {.callout-note} +### Assessment + +😔 Multiplication of "traditional" journals... + +😔 No valorization of "negative" results + +😥 No or not enough valorization of source codes and case studies + +😱 ↘ of publication quality and time dedicated to each article (on author or reviewer sides) [@hanson2023] + +😱 Issue with *scientific* reproducibility (analyses, experiments) [@ioannidis2005; @steen2011; @allison2016; @bastian2016; @whitfield2021; @hernandez2023] + +::: + +::: {.callout-tip} +### Point of view +- Need for renewal regarding scientific research implementation +- Need for higher standard regarding result publications +::: + +## Philosophy + +::: {.callout-note} + +### Scientific perimeter +Promote contribution in **statistics** and **machine learning** that provide insight into which models or methods are more appropriate to address a specific scientific question +::: + +::: {.callout-tip} +### Open access + +:::: {.columns} +::: {.column width="90%"} + +- ["Diamond" open access](https://en.wikipedia.org/wiki/Open_access#Diamond/platinum_OA) (free to publish and free to read, possible to reuse) +- 🅭 🅯 Content published under [CC-BY](https://creativecommons.org/licenses/by/4.0/) license (attribution, share, adapt) +- Reviews and discussions available after acceptance for publication (anonymous reviews) + +⇝ In accordance with [Budapest Open Access Initiative (BOAI)](https://www.budapestopenaccessinitiative.org/) and [Plan S](https://www.coalition-s.org/addendum-to-the-coalition-s-guidance-on-the-implementation-of-plan-s/principles-and-implementation/) + +::: +::: {.column width="10%"} +![](img/open_access_logo.png){width=70} +::: +:::: + +::: + + +::: {.callout-important} +### Reproducible +- Numerical (statistical) reproducibility is a necessary condition +- Source code and data should be available, at least partly executed and fully executable +::: + +## Note on reproducible research [@desquilbet2019; @hejblum2020; @the_turing_way2022] + +
+ +:::: {.columns} +::: {.column width="5%"} +::: +::: {.column width="90%"} + +#### Why reproducing scientific results? + +::: {style="font-size: 90%;"} +- To strengthen their credibility +- To check for errors (everyone makes error at some point!!!) +- To build new research upon them (science is incremental) +::: + +#### Issues? + +::: {style="font-size: 90%;"} +- Reproduce numerical scientific results is often difficult (technology/environment evolution, source code/environment configuration/software partially available or not available) +- Waste of time and resources to reproduce existing non-reproducible results +::: + +#### Reproducible research? + +::: {style="font-size: 90%;"} +- For others but also **for your future self** +- Improve result credibility +- Facilitate future research works +::: + +::: +:::: + +## Setup + +Official launch at the end of 2021 + +
[![](img/computo_website.png){height=280px}](https://computo.sfds.asso.fr) +[![](img/computo_github-group.png){height=280px}](https://github.com/computorg/)
+ +### "Economical" model + +- A few tenacious people... +- Free/Open-source community tools (Pandoc, Quarto, Git forge) +- Institutional support (INRAE, INRIA, CNRS, SFdS) + + +## Functioning + +:::: {.columns} +::: {.column width="65%"} + +### Writing system + +Notebook and literate programming
text (markdown) + math ($\LaTeX$) + code (Python/R/Julia), references (bib$\TeX$) + +### Publication system + +Environment management, Compilation, Multi-format publication (pdf, html)
Continuous integration/Continuous deployment (CI/CD) + +### Reviewing system + +- Anonymous exchange published after acceptance +- Reviewer pool (you can join) +- [_Ongoing switch from Scholastica to Open review_] + +::: +::: {.column width="35%"} + +#### Solutions/Prototype + +Reproducible article and computations + +[![](img/quarto.png){height=40px}](https://quarto.org) + +Automatic editorial reproducibility + +[![](img/github_actions.png){height=80px}](https://github.com/features/actions) + +Scientific validation + +[![](img/openreview.png){height=80px}](https://openreview.net/) + +::: +:::: + + +## Note on literate programming + +
+ +- Literate programming [@knuth1984]: notebook including text and code +- Markup formatting language: e.g. [`markdown`](https://fr.wikipedia.org/wiki/Markdown) +- Separate content from rendering (≠ ["what you see is what you get"](https://en.wikipedia.org/wiki/WYSIWYG) editors) +- Rendering includes text, code and results (from code computations) + +
+ +:::: {.columns} +::: {.column width="50%"} + +![](img/markdown.png){width=400px fig-align="center"} + +::: +::: {.column width="50%"} + +![](img/markdown_rendering.png){width=400px fig-align="center"} + +::: +:::: + +## Note on quarto + +
+ +
+[![](img/quarto.png){height=80px}](https://quarto.org) + + +
+ +
+ +- Generalization of [`Rmarkdown`](https://pkgs.rstudio.com/rmarkdown/) +- Relying on top community tools like universal document converter [`Pandoc`](https://pandoc.org/) +- Developed and supported by RStudio/Posit +- Native support of complex documents (website, articles, books) and multiple languages for computations (R, Python, Julia) +- Management of references, citations, figures, tables, metadata, etc. + + +## Note on [continuous integration](https://en.wikipedia.org/wiki/Continuous_integration) + +:::: {.columns} +::: {.column width="2%"} +::: +::: {.column width="70%"} +- Implementation in git forges (e.g. [github actions](https://github.com/features/actions) or [gitlab CI/CD](https://about.gitlab.com/topics/ci-cd/)) +- Triggered by commits +- Automatic tests +- Automatic deployment: package/software publication, website +::: +::: {.column width="4%"} +::: +::: {.column width="12%"} +![](img/github_actions.png){height=40px} +::: +::: {.column width="12%"} +![](img/gitlab-ci-cd.png){height=40px} +::: +:::: + +[![](img/continuous_integration.jpg){width=600px fig-align="center"}](https://en.wikipedia.org/wiki/File:Continuous_Integration.jpg) + +:::{.r-stack} +Credit: Pratik89Roy [CC-BY-SA-4.0](https://creativecommons.org/licenses/by-sa/4.0/deed.en) from [Wikimedia](https://en.wikipedia.org/wiki/File:Continuous_Integration.jpg) +::: + + +## Tools for authors + +:::: {.columns} + +::: {.column width="50%"} + +#### Document model + +::: {style="font-size: 90%;"} +[`quarto` Computo extension](https://computorg.github.io/computo-quarto-extension/) +[![](img/computo_repo_quarto_extension.png){height=300px}](https://github.com/computorg/computo-quarto-extension) +::: + +::: + +::: {.column width="50%"} + +#### Document template + +::: {style="font-size: 90%;"} +[Git `template` repository](https://computo.sfds.asso.fr/repos/) + +with template notebook document + doc + pre-configured compilation and publication setup + +[![](img/computo_template_repositories.png)](https://computo.sfds.asso.fr/repos/) +::: + +::: + +:::: + +#### Locally + +:::: {.columns} +::: {.column width="55%"} +::: {style="font-size: 90%;"} +- Text editor/IDE (VS Code, Rstudio, NeoVim, etc.) +- Quarto (compilation) +::: +::: +::: {.column width="45%"} +::: {style="font-size: 90%;"} +- Julia / R / Python code + computations +- git versioning system +::: +::: +:::: + +## Author point of view (1/3) + +
+ +### Step 0: setup a git repository for your article + +:::: {.columns} +::: {.column width="58%"} + +Startup from a template repository ([R](https://github.com/computorg/template-computo-R), [Python](https://github.com/computorg/template-computo-python), [Julia](https://github.com/computorg/template-computo-julia)) + +::: {.callout-tip} +You can host your git repository on [**github**](https://github.com) and soon an any **gitlab** forge^[with CI/CD support]. +::: + +::: +::: {.column width="42%"} + +[![](img/computo_use_template.png)](https://github.com/computorg/template-computo-R) + +::: +:::: + +
+ +### Step 1: write your article + +Let's go, locally (same spirit as Jupyter/Rmarkdown notebooks) + + + +## Author point of view (2/3) + +### Step 2: configure the environment (dependencies management) + +::: {style="font-size: 90%;"} +::: {.panel-tabset} + +#### Example in Python + +:::: {.columns} +::: {.column width="75%"} + +`venv`: use a virtual environment and generate the `requirements.txt` file + +::: +::: {.column width="25%"} + +```yaml +# requirements.txt +jupyter +matplotlib +numpy +``` + +::: +:::: + + +#### Example in R + +:::: {.columns} +::: {.column width="58%"} + +`renv`: generate the `renv.lock` file + +::: +::: {.column width="42%"} + +```r +renv::init() +renv::install("ggplot2") +# or equivalently install.packages("ggplot2") +renv::snapshot() +``` + +::: +:::: + +#### Example in Julia + +:::: {.columns} +::: {.column width="75%"} + +`Pkg`: native `Julia` package manager (with generated `Project.toml` et `Manifest.toml` files) + +::: +::: {.column width="25%"} + +```julia +add Plots +add IJulia +``` + +::: +:::: + +::: +::: + +Configuration file versionned and used during CI compilation/publication action + +### Step 3: (re)production + +::: {style="font-size: 90%;"} +A `git push` command will trigger your article compilation (including computations) and publication as a [*github* page](https://pages.github.com)^[or as a *gitlab* page when *gitlab* will be supported (soon)] + +See the preconfigured `.github/workflows/build.yml` file for the *github* action configuration^[and soon the `.gitlab-ci.yml` file for the *gitlab* CI/CD configuration] +::: + +## Author point of view (3/3) + +:::: {.columns} +::: {.column width="70%"} + +
+ +### Step 4: submit your article + +If the CI process succeeds, both HTML and PDF versions are published on the [*github-page*](https://computorg.github.io/template-computo-R/) associated to the repository + +

+ +#### Scholastica Open review + + + +Submit: + + - your article PDF (scientific content review) + - your git repository (source code and reproducibility review) + +::: + +::: {.column width="30%"} + +[![](img/computo_template_rendered.png)](https://github.com/computorg/template-computo-python/) + +[![](img/computo_openreview.png)](https://openreview.net/group?id=Computo) + +::: + +:::: + +## Editor point of view + +:::: {.columns} +::: {.column width="70%"} + +::: {style="font-size: 90%;"} +After a "traditionnal" review process, a 3 step procedure: + +1. Acceptance +2. Pre-production +3. Publication in Computo (with a DOI) + +including + +- Copy of the author git repository to +- Final version formatting +- Review report publication +- Registration in the journal bibliographic data base +- Copy of the repository to [Software Heritage](https://archive.softwareheritage.org/browse/search/?q=computorg%2Fpublished&with_visit=true&with_content=true) for archiving +- Publication of the article on the journal website +::: +::: + +::: {.column width="30%"} + +[Task-list = github issue](https://github.com/computorg/published-paper-tsne/issues/5) + +[![](img/computo_template_issue_editor.png)](https://github.com/computorg/published-paper-tsne/issues/5) + +::: +:::: + +## 2year and a half report + +
+ +🥲 Fully operational + doi, ISSN + +🙂 9 published articles articles, 2 in preproduction, 5 under review (more details [here](https://computo.sfds.asso.fr/publications/)) + +🙂 x presentations (Montpellier, Toronto, Humastica, Grenoble, RR2023, etc.) + +🙂 [French reproducible research network](https://www.recherche-reproductible.fr/) + +🤯 Difficult to find reviewers + +🤔 Institutional support? + +🤔 Changing of practices in the scientific community? + +
+ +## Discussion + +### About several choices + +- [`quarto`](https://quarto.org/): dynamic, agnostic language, [FOSS](https://en.wikipedia.org/wiki/Free_and_open-source_software)^["free and open-source"], community-based ([`pandoc`](https://pandoc.org/)), Rstudio/Posit support +- [`github`](https://github.com): dynamic, large user community but not institutional and limited computing resources + +### Comparison/inspiration + +- [Peer Community-In (PCI)](https://peercommunityin.org/)^[Computo is a [PCI-friendly journal](https://peercommunityin.org/pci-friendly-journals/)], [EpiSciences](https://www.episciences.org/): different philosophy and/or functioning +- : "remake" published articles +- (discontinued): technically more complicated and only ML/AI oriented + +## Perspectives + +
+ +- Provision of computing resources (to be able to run all computations) +- Full *gitlab* support (CI/CD, docker, registry, etc.) +- Switch to a french institutional gitlab forge? +- Improve long-term reproducibility stack ([docker](https://www.docker.com/) container, [GUIX](https://guix.gnu.org) fully reproducible environment?) + +
+ +### How to help? + +:::: {.columns} +::: {.column width="50%"} + +- By submitting^[] your work! + +::: +::: {.column width="50%"} + +- By becoming reviewer^[contact us at ] + +::: +:::: + +## Regarding the logo + +
+ +![](img/computo_concept.png){width=600px fig-align="center"} + +## References {.scrollable .smaller} + +::: {#refs} +::: + + + Reproducibility considerations + + +![Scientific and editorial reproducibility](figures/reproducible-sequence-orig.svg) + + +## Two-fold reproducibility + +The global scientific workflow of a reproducible process for a Computo may be split into two types of steps: + +**External and Editorial** + +## External + +External +: Process to obtain (intermediate) results utside of the notebook environment, for a list of reasons (non-exclusive to each other): + +- the process is too long to be conducted in a notebook +- the data to be processed is too big to be handled directly in the notebook +- it needs a specific environment (e.g. a cluster, with gpus, etc.) +- it needs to involve specific languages (e.g. C, C++, Fortran, etc.) or build tools (e.g. make, cmake, etc.) + + + +## Editorial + +Editorial +: notebook rendering with the results of the external process + +:::{.callout-note title="Requirement"} +If the notebook contains *everything* to produce the final document + +$\Rightarrow$ “Direct reproducibility” in the sense that the notebook is the only thing needed to reproduce the results. + +Ultimately, the workflow must end with a direct reproducibility step which concludes the whole process. +::: + +## Reproducibility considerations (5) + +Data transfer +: When applicable, the switch from external to editorial reproducibility is done with a “data transfer” step, + +data produced by the external process $\Rightarrow$ transferred to the notebook environment. + +:::{.callout-warning title="Requirement"} +Not only the intermediate results are provided, but also **the code to transfer it in the notebook environment.** + +There are a variety of software solutions to do so. +::: + +## Examples of data transfer solutions + +### Intermediate results storage +- Python: [`joblib.Memory`](https://joblib.readthedocs.io/en/latest/memory.html), caching mechanism for python functions, save the results of a function call to disk, and load it back later. +- R : `.RData` file format, can be loaded back in R with the `load()` function. +- If results are small enough, storing them in a text file (e.g. `.csv`, `.tsv`, `.json`, etc.) is also a solution. + +### Transfer of the results to the notebook environment +- (`.joblib` directory or `.Rdata` file) could be committed to the git repository, and directly loaded in the notebook environment. +- Alternative, centralize input data (when large enough) and intermediate results on a shared scientific provider (we recommend [Zenodo](https://zenodo.org/) for this purpose), and download them in the notebook environment. diff --git a/20240618_scienceouverte/computo.scss b/20240618_scienceouverte/computo.scss new file mode 100644 index 0000000..247ddef --- /dev/null +++ b/20240618_scienceouverte/computo.scss @@ -0,0 +1,77 @@ +/*-- scss:defaults --*/ +@import url('https://fonts.googleapis.com/css2?family=Oswald'); +@import url('https://fonts.googleapis.com/css2?family=Open+Sans'); + +/*-- scss:defaults --*/ + +$grey-color: #828282 !default; +$grey-color-light: lighten($grey-color, 40%); +$grey-color-dark: darken($grey-color, 25%); +$white-color: #ffffff !default; +$black-color: #000000 !default; + +$dark-blue: #0F2E3D !default; +$computo-color: #034E79 !default; +$computo-color-dark: darken($computo-color, 10%); +$computo-color-light: lighten($computo-color, 60%); +$code-bg-color-light: rgba($computo-color, 0.05); +$code-bg-color-dark: darken($computo-color, 25%); + +$callout-border-color: $computo-color-light !important; +$callout-color-note: $computo-color-dark; +$callout-header-color: $computo-color-dark; +$callout-border-width: 6px ; + +$callout-color: $black-color ; +$callout-bg-color: $code-bg-color-light !important; +$callout-border-color: $code-bg-color-dark !important; +$callout-caption-color: $dark-blue; +$callout-border-width: 6px ; + +$body-bg: #fff; +$body-color: #000 ; +$link-color: $computo-color; + +// fonts +$headings-font-weight: 500 !default; +$h2-font-size: 1.6rem !default; +$font-family-sans-serif: 'Open Sans', sans-serif; +$ff-title: 'Oswald', sans-serif; +$ff-main: 'Open Sans', sans-serif; + +// headings +$presentation-heading-font: 'Oswald', sans serif !default; +$presentation-heading-color: $computo-color-dark !default; +$presentation-heading-font-weight: 500; + +/*-- scss:rules --*/ + +h1, h2, h3, h4, h5, h6 { + font-family: $presentation-heading-font ; + font-weight: 500; + color: $presentation-heading-color !important; +} + +.small{ + font-size: 100%; +} +.reveal .slide blockquote { + border-left: 3px solid $text-muted; + padding-left: 0.5em; +} + +.callout.callout-style-simple { + padding: 0em 0.5em; + color: $callout-color ; + background-color: $callout-bg-color; + border-left: solid 4px $callout-border-color 0.3rem; + border-right: solid 1px $callout-border-color; + border-top: solid 1px 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