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Fernando Pérez Lindsey Heagy Open source, academic science and the public mission of research: reflections from the field

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–Hamming'62 “The purpose of computing is insight, not numbers”

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What is ❖ Software ❖ Standards and Protocols ❖ Community

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Software

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JupyterLab: a grand unified theory of Jupyter Huge Team Effort! C. Colbert, S. Corlay, A. Darian, B. Granger, J. Grout, P. Ivanov, I. Rose, S. Silvester, C. Willing, J. Zosa-Forde …

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Standards and Protocols

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Core ideas of the web: HTTP & HTML HTML: format to represent content HyperText Markup Language HTTP: protocol to connect clients and servers HyperText Transport Protocol Image credit: eviltester.com

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Core ideas of Jupyter Document Format https://github.com/CamDavidsonPilon/Probabilistic-Programming-and-Bayesian-Methods- for-Hackers Interactive Computing Protocol SUB SUB DEAL Client SUB DEAL DEAL DEAL ROUT PUB ROUT ROUT Kernel ØMQ + JSON

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Jupyter Protocol web-age capture of the process of interactive computing any mime-type output

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Jupyter Protocol web-age capture of the process of interactive computing any mime-type output ❖ text

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Jupyter Protocol web-age capture of the process of interactive computing any mime-type output ❖ text ❖ svg, png, jpeg

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Jupyter Protocol web-age capture of the process of interactive computing any mime-type output ❖ text ❖ svg, png, jpeg ❖ latex, pdf

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Jupyter Protocol web-age capture of the process of interactive computing any mime-type output ❖ text ❖ svg, png, jpeg ❖ latex, pdf ❖ html, javascript

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Jupyter Protocol web-age capture of the process of interactive computing any mime-type output ❖ text ❖ svg, png, jpeg ❖ latex, pdf ❖ html, javascript ❖ interactive widgets

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A language agnostic protocol

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A language agnostic protocol u a l j i

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A language agnostic protocol u a l j i

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A language agnostic protocol u a l j i ~100 different kernels: https://github.com/jupyter/jupyter/wiki/Jupyter-kernels

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Community

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IPython: an afternoon hack, 2001

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Plus ~ 1500 more Open source contributors! A true team effort

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Formalized governance Formal fiscal sponsorship Brian Granger Cal Poly, Amazon Me :)

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Educational impact: a view from Berkeley

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Fall 2018 Data 100: ~800 students Data 8: ~1,300 students

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With these tools, we provide: ❖ Broad disciplinary reach and impact of statistical thinking. ❖ Drastically lowered barriers to student access - intellectual and economic. ❖ Lowered barriers for faculty* to engage with statistical and computational ideas. ❖ (*) typically from non computational/statistical domains) Organizational and intellectual leadership: Cathryn Carson, Ani Adhikari, John DeNero, … (many more)

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Not just teaching toys: real research tools

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Reproducible Research An article about computational science in a scientific publication is not the scholarship itself, it is merely advertising of the scholarship. The actual scholarship is the complete software development environment and the complete set of instructions which generated the figures. Buckheit and Donoho, WaveLab and Reproducible Research, 1995

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24 years later… https://twitter.com/KMS_Meltzy/status/1161008572634927104

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mybinder.org: shareable reproducibility github.com/freeman-lab Explicit Dependencies + + Origins: Jeremy Freeman’s lab at Janelia farm. That “incentives" business…

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LIGO: September 14, 2015

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The song of the universe http://bit.ly/black-holes-woop

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The song of the universe http://bit.ly/black-holes-woop

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April 18/19, 2019: Shep Doeleman & Katie Bouman

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LSST: one of the largest line items in NSF budget https://docushare.lsst.org/docushare/dsweb/Get/LSE-319

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High Energy Physics

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HEP & reproducibility A ML-based likelihood-free inference tool for particle physics: A new python-based implementation of a statistical tool used for Higgs discovery. Kyle Cranmer, NYU

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HEP & reproducibility A ML-based likelihood-free inference tool for particle physics: A new python-based implementation of a statistical tool used for Higgs discovery. Kyle Cranmer, NYU

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Geosciences: research & education Lindsey Heagy, Berkeley 2019 GWH Career Achievement Award for outstanding junior scientist SimPEG: https://simpeg.xyz http://geosci.xyz

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interactivity

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Pangeo: open geosciences (and more!) Harnessing the power of cloud computing to study the whole earth interactively. https://pangeo.io Ryan Abernathey

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Pangeo: open geosciences (and more!) Harnessing the power of cloud computing to study the whole earth interactively. https://pangeo.io Ryan Abernathey

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Pangeo: open geosciences (and more!) Harnessing the power of cloud computing to study the whole earth interactively. https://pangeo.io Ryan Abernathey

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The “pangeo pattern” https://twitter.com/SurfTasmania/status/1126264352435097601 ❖ Reuse, integrate, document ❖ Engage communities on their terms ❖ Contribute back upstream

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The Pangeo Principles Robinson, Hamman & Abernathy: https://arxiv.org/abs/1908.03356

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Jupyter - funding and resources

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So you want to build Data Science tools in academia…

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Scientific Open Source: Despite (direct) federal $$ support ❖ Note: “indirectly”, lots of $ have supported Scientific OSS projects/ tools. ❖ Under the cover of domain-focused work. ❖ Recently recommended for funding “Jupyter meets the Earth” (Jupyter + Pangeo team) NSF grant (Earth Cube/Shree Mishra) ❖ FP, Laurel Larsen, Lindsey Heagy (Berkeley), Joe Hamman (NCAR) ❖ Thank you!!!

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Traditional software infrastructure funding Yes, it’s true, the budget is gone again… But you can’t deny that now, we get here in an instant! Quino (Argentinian cartoonist)

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Contrasts in culture and incentives Open Source Academia Credit Distributed PI & hierarchy Output/artifacts Continuous & Project-specific Discrete papers Collaborators Fluid: professionals, volunteers, … Structured, funding-dependent Governance/ decision making Open, community based Top-down, PI Authorship Fluid, roles can evolve, no clear “first/ senior” author Need to say more? Peer review Continuous, open, pervasive, friendly The opposite Value metric Utility, need, impact “Novel and transformative”

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“The Stack”: a complete ecosystem

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“The Stack”: a complete ecosystem

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“The Stack”: a complete ecosystem Domain-agnostic backbone/trunk

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“The Stack”: a complete ecosystem Domain-agnostic backbone/trunk • Not “real CS” • Not “real research” • Nobody’s problem • Yet critical to everybody else

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What do we do now?

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Software in science: I know the NSF cares!! https://diana-hep.org https://iris-hep.org http://urssi.us

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Organizations that fill current gaps

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Skills in education The Carpentries Tracy Teal Executive Director

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Skills in education The Carpentries Tracy Teal Executive Director The Society of Research Software Engineering was founded on the belief that a world which relies on software must recognise the people who develop it. https://society-rse.org The Society of Research Software Engineering Career paths

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Open communities & industry Leah Silen Executive Director Andy Terrel President

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leadership, management, organization building

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JOSS/JOSE: academic publication credit Arfon Smith STScI, Baltimore Lorena Barba GWU

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JOSS review checklist: a social hack

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JOSS experience is positive, and yet…

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JOSS experience is positive, and yet… Yet! Not indexed by Google Scholar https://github.com/openjournals/joss/issues/130

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HackWeeks: training and hacking meet domain research Training?
 From undergrads to senior PIs In the same room!!

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HackWeeks: training and hacking meet domain research Training?
 From undergrads to senior PIs In the same room!!

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HackWeeks: training and hacking meet domain research Training?
 From undergrads to senior PIs In the same room!!

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HackWeeks: training and hacking meet domain research Training?
 From undergrads to senior PIs In the same room!!

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HackWeeks: training and hacking meet domain research Training?
 From undergrads to senior PIs In the same room!!

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HackWeeks - a reproducible model https://doi.org/10.1073/pnas.1717196115 Daniela Huppenkothen http://huppenkothen.org/

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Bang for the buck? ❖ Federal 2018 R&D budget: $176.8B (AAAS analysis) ❖ What fraction of R&D today depends critically on computing? 10%? 30%? 50%? ❖ $200M is ~0.1% of that. ❖ $200M annually (well spent) would have major impact.

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“Well spent” That should be easy… ❖ Some features of successful, resilient projects ❖ Broad community engagement ❖ Actively managed pipeline for new contributions ❖ Capacity for short and long-term planning ❖ Writing code only small part of the job ❖ Treat OSS projects like organizations

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Strategic vision: requires professionalization ❖ Full-time work ❖ R&D, operations, community, fundraising ❖ Professionalization is inclusive: ❖ reliance on volunteers excludes those who can’t afford to volunteer.

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Multi-stakeholder governance @nayafia

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You don’t get fruit without a tree…