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Software as Infrastructure
      at NSF/OCI

           Daniel S. Katz
     Program Director, Office of
        Cyberinfrastructure
Big Science and Infrastructure
•  Hurricanes affect humans
•  Multi-physics: atmosphere, ocean, coast, vegetation, soil
    –  Sensors and data as inputs
•  Humans: what have they built, where are they, what will they do
    –  Data and models as inputs
•  Infrastructure:
    –  Urgent/scheduled processing, workflows
    –  Software applications, workflows
    –  Networks
    –  Decision-support systems,
       visualization
    –  Data storage,
       interoperability
Infrastructure Challenges
•  Science
   –  Larger teams, more disciplines, more countries
•  Data
   –  Size, complexity, rates all increasing rapidly
   –  Need for interoperability (systems and policies)
•  Systems
   –    More cores, more architectures (GPUs), more memory hierarchy
   –    Changing balances (latency vs bandwidth)
   –    Changing limits (power, funds)
   –    System architecture and business models changing (clouds)
   –    Network capacity growing; increase networks -> increased security
•  Software
   –  Multiphysics algorithms, frameworks
   –  Programing models and abstractions for science, data, and hardware
   –  V&V, reproducibility, fault tolerance
•  People
   –  Education and training
   –  Career paths
   –  Credit and attribution
Cyberinfrastructure
•  “Cyberinfrastructure consists of computing systems,
   data storage systems, advanced instruments and
   data repositories, visualization environments, and
   people, all linked together by software and high
   performance networks to improve research
   productivity and enable breakthroughs not otherwise
   possible.”
                                    -- Craig Stewart

•  Infrastructure elements:
    –  parts of an infrastructure,
    –  developed by individuals and groups,
    –  international,
    –  developed for a purpose,
    –  used by a community
Software is Infrastructure
                                                                Science	
  
•  Software (including services) essential for
   the bulk of science
    -  About half the papers in recent issues of
       Science were software-intensive projects             So(ware	
  	
  
    -  Research becoming dependent upon
       advances in software
    -  Significant software development being              Compu0ng	
  
       conducted across NSF: NEON, OOI,                  Infrastructure	
  
       NEES, NCN, iPlant, etc                      Scientific
•  Wide range of software types: system,           Discovery         Technological
                                                                        Innovation
   applications, modeling, gateways, analysis,
   algorithms, middleware, libraries
•  Development, production and maintenance
   are people intensive
•  Software lifetime long compared to
   hardware                                              Software
•  Under-appreciated value
                           Software                        Education
Cyberinfrastructure Framework for 21st Century
Science and Engineering (CIF21)
•    Cross-NSF portfolio of activities to provide integrated cyber resources
     that will enable new multidisciplinary research opportunities in all
     science and engineering fields by leveraging ongoing investments and
     using common approaches and components (http://www.nsf.gov/cif21)

•    ACCI task force reports (http://www.nsf.gov/od/oci/taskforces/index.jsp)
      –  Campus Bridging, Cyberlearning & Workforce Development, Data
         & Visualization, Grand Challenges, HPC, Software for Science &
         Engineering
      –  Included recommendation for NSF-wide CDS&E program
•    Vision and Strategy Reports
      –  ACI - http://www.nsf.gov/publications/pub_summ.jsp?ods_key=nsf12051
      –  Software - http://www.nsf.gov/publications/pub_summ.jsp?ods_key=nsf12113
      –  Data - http://www.nsf.gov/od/oci/cif21/DataVision2012.pdf
•    Implementation
      –  Implementation of Software Vision
         http://www.nsf.gov/funding/pgm_summ.jsp?pims_id=504817
Software Vision
      NSF will take a leadership role in providing
      software as enabling infrastructure for
      science and engineering research and
      education, and in promoting software as a
      principal component of its comprehensive
      CIF21 vision
   •  ...
   •  Reducing the complexity of software will be a
      unifying theme across the CIF21 vision,
      advancing both the use and development of
      new software and promoting the ubiquitous
      integration of scientific software across all
      disciplines, in education, and in industry
          –  A Vision and Strategy for Software for Science,
             Engineering, and Education – NSF 12-113
Infrastructure Role & Lifecycle
                              Create and maintain a
                              software ecosystem
                              providing new
                              capabilities that             Enable transformative,
                              advance and accelerate        interdisciplinary,
 Support the                  scientific inquiry at         collaborative, science
 foundational                 unprecedented                 and engineering
 research necessary           complexity and scale          research and
 to continue to                                             education through the
 efficiently advance                                        use of advanced
 scientific software                                        software and services



Transform practice through new                 Develop a next generation diverse
policies for software addressing               workforce of scientists and
challenges of academic culture, open           engineers equipped with essential
dissemination and use, reproducibility         skills to use and develop software,
and trust, curation, sustainability,           with software and services used in
governance, citation, stewardship, and         both the research and education
attribution of software authorship             process
OCI Software Cluster Programs
•  Exploiting Parallelism and Scalability (XPS)
    –  New CISE & OCI program for foundational groundbreaking
       research leading to a new era of parallel (and distributed)
       computing
    –  Issued in Oct., proposals due in Feb.
•  Computational and Data-Enabled Science & Engineering
   (CDS&E)
    –  Virtual program (ENG, MPS, OCI) for science-specific proofing of
       algorithms and codes
    –  Identify and capitalize on opportunities for major scientific and
       engineering breakthroughs through new computational and data
       analysis approaches
•  Software Infrastructure for Sustained Innovation (SI2)
    –  Transform innovations in research and education into sustained
       software resources that are an integral part of the
       cyberinfrastructure
    –  Develop and maintain sustainable software infrastructure that can
       enhance productivity and accelerate innovation in science and
       engineering
Software Infrastructure Projects
SI2 Software Activities
•  Elements (SSE) & Frameworks (SSI)
    –  Past general solicitations, with most of NSF (BIO, CISE, EHR,
       ENG, MPS, SBE): NSF 10-551 (2011), NSF 11-539 (2012)
        •  About 27 SSE and 20 SSI projects (19 SSE & 13 SSI in FY12)
    –  Current focused solicitation, with MPS/CHE and EPSRC: US/UK
       collaborations in computational chemistry, NSF 12-576 (2012)
        •  Will fund 4 awards from 18 proposals
    –  Solicitation open (NSF 13-525), continues in future years
•  Institutes (S2I2)
    –  Solicitation for conceptualization awards, NSF 11-589 (2012)
        •  13 projects (co-funded with BIO, CISE, ENG, MPS)
    –  Solicitation out for 3-5 more S2I2s (NSF 13-511)
    –  Full institute solicitation in late FY14
•  US/China DCL (with CISE/CNS, loosely with NSFC)
    –  NSF 12-096: will make decisions soon on small set of initial
       projects
    –  Will fold into future SSE&SSI solicitation
•  See http://bit.ly/sw-ci for current projects
SI2 Solicitation and Decision Process

•  Cross-NSF software working group with
   members from all directorates
•  Determined how SI2 fits with other NSF
   programs that support software
   –  See: Implementation of NSF Software Vision - http://
      www.nsf.gov/funding/pgm_summ.jsp?pims_id=504817
•  Discusses solicitations, determines who will
   participate in each
•  Discusses and participates in review process
•  Work together to fund worthy proposals
A View inside NSF Funding

•  Cross-NSF activities can be funded under a
   variety of models
•  SI2 to-date has been funded under:
   –  OCI sets aside funds
   –  Other units may or may not set aside funds
   –  When good proposals arrive, if both OCI and
      interested units have sufficient funds allocated, or can
      find funds from core or other programs, we fund them
   –  Some omnidisciplinary proposals may be solely OCI-
      funded
General Software Questions
•    Software that is intended to be infrastructure has challenges
      –  Unlike in business, more users means more work
      –  The last 20% takes 80% of the effort
      –  What can NSF do to make these things easier?
•    What fraction of funds should be spent of support of existing
     infrastructure vs. development of new infrastructure?
•    How do we decide when to stop supporting a software element?
•    How do we encourage reuse and discourage duplication?
•    How should we measure impact of infrastructure?
      –  Used either directly or indirectly
      –  Some elements downloaded, some used as services
      –  Usage tied to funding decisions
•    How do we more effectively support career paths for software
     developers (with universities, labs, etc.)
•    How should science results be shared?
      –  Issues: publications, reproducibility, credit

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NSF SI2 program discussion at 2013 SI2 PI meeting

  • 1. Software as Infrastructure at NSF/OCI Daniel S. Katz Program Director, Office of Cyberinfrastructure
  • 2. Big Science and Infrastructure •  Hurricanes affect humans •  Multi-physics: atmosphere, ocean, coast, vegetation, soil –  Sensors and data as inputs •  Humans: what have they built, where are they, what will they do –  Data and models as inputs •  Infrastructure: –  Urgent/scheduled processing, workflows –  Software applications, workflows –  Networks –  Decision-support systems, visualization –  Data storage, interoperability
  • 3. Infrastructure Challenges •  Science –  Larger teams, more disciplines, more countries •  Data –  Size, complexity, rates all increasing rapidly –  Need for interoperability (systems and policies) •  Systems –  More cores, more architectures (GPUs), more memory hierarchy –  Changing balances (latency vs bandwidth) –  Changing limits (power, funds) –  System architecture and business models changing (clouds) –  Network capacity growing; increase networks -> increased security •  Software –  Multiphysics algorithms, frameworks –  Programing models and abstractions for science, data, and hardware –  V&V, reproducibility, fault tolerance •  People –  Education and training –  Career paths –  Credit and attribution
  • 4. Cyberinfrastructure •  “Cyberinfrastructure consists of computing systems, data storage systems, advanced instruments and data repositories, visualization environments, and people, all linked together by software and high performance networks to improve research productivity and enable breakthroughs not otherwise possible.” -- Craig Stewart •  Infrastructure elements: –  parts of an infrastructure, –  developed by individuals and groups, –  international, –  developed for a purpose, –  used by a community
  • 5. Software is Infrastructure Science   •  Software (including services) essential for the bulk of science -  About half the papers in recent issues of Science were software-intensive projects So(ware     -  Research becoming dependent upon advances in software -  Significant software development being Compu0ng   conducted across NSF: NEON, OOI, Infrastructure   NEES, NCN, iPlant, etc Scientific •  Wide range of software types: system, Discovery Technological Innovation applications, modeling, gateways, analysis, algorithms, middleware, libraries •  Development, production and maintenance are people intensive •  Software lifetime long compared to hardware Software •  Under-appreciated value Software Education
  • 6. Cyberinfrastructure Framework for 21st Century Science and Engineering (CIF21) •  Cross-NSF portfolio of activities to provide integrated cyber resources that will enable new multidisciplinary research opportunities in all science and engineering fields by leveraging ongoing investments and using common approaches and components (http://www.nsf.gov/cif21) •  ACCI task force reports (http://www.nsf.gov/od/oci/taskforces/index.jsp) –  Campus Bridging, Cyberlearning & Workforce Development, Data & Visualization, Grand Challenges, HPC, Software for Science & Engineering –  Included recommendation for NSF-wide CDS&E program •  Vision and Strategy Reports –  ACI - http://www.nsf.gov/publications/pub_summ.jsp?ods_key=nsf12051 –  Software - http://www.nsf.gov/publications/pub_summ.jsp?ods_key=nsf12113 –  Data - http://www.nsf.gov/od/oci/cif21/DataVision2012.pdf •  Implementation –  Implementation of Software Vision http://www.nsf.gov/funding/pgm_summ.jsp?pims_id=504817
  • 7. Software Vision NSF will take a leadership role in providing software as enabling infrastructure for science and engineering research and education, and in promoting software as a principal component of its comprehensive CIF21 vision •  ... •  Reducing the complexity of software will be a unifying theme across the CIF21 vision, advancing both the use and development of new software and promoting the ubiquitous integration of scientific software across all disciplines, in education, and in industry –  A Vision and Strategy for Software for Science, Engineering, and Education – NSF 12-113
  • 8. Infrastructure Role & Lifecycle Create and maintain a software ecosystem providing new capabilities that Enable transformative, advance and accelerate interdisciplinary, Support the scientific inquiry at collaborative, science foundational unprecedented and engineering research necessary complexity and scale research and to continue to education through the efficiently advance use of advanced scientific software software and services Transform practice through new Develop a next generation diverse policies for software addressing workforce of scientists and challenges of academic culture, open engineers equipped with essential dissemination and use, reproducibility skills to use and develop software, and trust, curation, sustainability, with software and services used in governance, citation, stewardship, and both the research and education attribution of software authorship process
  • 9. OCI Software Cluster Programs •  Exploiting Parallelism and Scalability (XPS) –  New CISE & OCI program for foundational groundbreaking research leading to a new era of parallel (and distributed) computing –  Issued in Oct., proposals due in Feb. •  Computational and Data-Enabled Science & Engineering (CDS&E) –  Virtual program (ENG, MPS, OCI) for science-specific proofing of algorithms and codes –  Identify and capitalize on opportunities for major scientific and engineering breakthroughs through new computational and data analysis approaches •  Software Infrastructure for Sustained Innovation (SI2) –  Transform innovations in research and education into sustained software resources that are an integral part of the cyberinfrastructure –  Develop and maintain sustainable software infrastructure that can enhance productivity and accelerate innovation in science and engineering
  • 11. SI2 Software Activities •  Elements (SSE) & Frameworks (SSI) –  Past general solicitations, with most of NSF (BIO, CISE, EHR, ENG, MPS, SBE): NSF 10-551 (2011), NSF 11-539 (2012) •  About 27 SSE and 20 SSI projects (19 SSE & 13 SSI in FY12) –  Current focused solicitation, with MPS/CHE and EPSRC: US/UK collaborations in computational chemistry, NSF 12-576 (2012) •  Will fund 4 awards from 18 proposals –  Solicitation open (NSF 13-525), continues in future years •  Institutes (S2I2) –  Solicitation for conceptualization awards, NSF 11-589 (2012) •  13 projects (co-funded with BIO, CISE, ENG, MPS) –  Solicitation out for 3-5 more S2I2s (NSF 13-511) –  Full institute solicitation in late FY14 •  US/China DCL (with CISE/CNS, loosely with NSFC) –  NSF 12-096: will make decisions soon on small set of initial projects –  Will fold into future SSE&SSI solicitation •  See http://bit.ly/sw-ci for current projects
  • 12. SI2 Solicitation and Decision Process •  Cross-NSF software working group with members from all directorates •  Determined how SI2 fits with other NSF programs that support software –  See: Implementation of NSF Software Vision - http:// www.nsf.gov/funding/pgm_summ.jsp?pims_id=504817 •  Discusses solicitations, determines who will participate in each •  Discusses and participates in review process •  Work together to fund worthy proposals
  • 13. A View inside NSF Funding •  Cross-NSF activities can be funded under a variety of models •  SI2 to-date has been funded under: –  OCI sets aside funds –  Other units may or may not set aside funds –  When good proposals arrive, if both OCI and interested units have sufficient funds allocated, or can find funds from core or other programs, we fund them –  Some omnidisciplinary proposals may be solely OCI- funded
  • 14. General Software Questions •  Software that is intended to be infrastructure has challenges –  Unlike in business, more users means more work –  The last 20% takes 80% of the effort –  What can NSF do to make these things easier? •  What fraction of funds should be spent of support of existing infrastructure vs. development of new infrastructure? •  How do we decide when to stop supporting a software element? •  How do we encourage reuse and discourage duplication? •  How should we measure impact of infrastructure? –  Used either directly or indirectly –  Some elements downloaded, some used as services –  Usage tied to funding decisions •  How do we more effectively support career paths for software developers (with universities, labs, etc.) •  How should science results be shared? –  Issues: publications, reproducibility, credit