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DTSTAMP:20210916T132529Z
LOCATION:Louis Favre
DTSTART;TZID=Europe/Stockholm:20210708T170000
DTEND;TZID=Europe/Stockholm:20210708T190000
UID:submissions.pasc-conference.org_PASC21_sess197@linklings.com
SUMMARY:Building a Community Roadmap to Robust Science based on Performanc
 e Scalability, Trust, and Reproducibility in High-throughput Applications
DESCRIPTION:Minisymposium\n\nScientists in all domains increasingly rely o
 n high-throughput applications that combine multiple components into incre
 asingly complex multi-modal workflows executing on heterogeneous systems. 
 The complexities of those applications and their workflows hinder the scie
 ntists’ ability to generate results in a robust way. Robust science should
  assure performance scalability in space and time; trust in technology, pe
 ople, and infrastructures; and reproducibility or confirmable research in 
 high-throughput applications. Today high-throughput applications are far f
 rom achieving these goals. \n\nThrough the presentations of a set of compr
 ehensive, cross-disciplinary studies of high-throughput applications for s
 cientific discovery we outline challenges to reach robust science with har
 dware and systems all the way to policies and practices. We bring together
  a cross-disciplinary community including computer and data scientists, ph
 ysicists, natural scientists, and molecular dynamics scientists discussing
  practices and procedures to help define, design, implement, and use a set
  of solutions for robust science. We take important steps to define a road
 map that enables high-throughput applications to withstand and overcome ad
 verse conditions such as heterogeneous, unreliable architectures at all sc
 ales including extreme scale, lack of rigorous testing under uncertainties
 , unexplainable algorithms (e.g., in machine learning), and black-box meth
 ods.\n\nA4MD: In Situ Data Analytics for Next Generation Molecular Dynamic
 s Workflows\n\nTaufer\n\nMolecular dynamics  (MD) simulations studyin
 g the classical time evolution of a molecular system at atomic resolution 
 are widely recognized in the fields of chemistry, material sciences, molec
 ular biology, and drug design; these simulations are one of the most commo
 n simulations on supercompute...\n\n---------------------\nOn the Role of 
 AI in the High Throughput Application’s Life Cycle\n\nEstrada\n\nOver the 
 past years, the use of AI has become ubiquitous in most disciplines, and H
 igh Throughput applications are not the exception. AI increasingly plays a
  central role across the whole workflow pipeline, from workload forecastin
 g, adaptive scheduling, self-managed resource allocation, and on the ...\n
 \n---------------------\nCyberinfrastructure Tools for Soil Moisture: Chal
 lenges and Applications\n\nVargas\n\nSoil moisture is a critical variable 
 that links climate dynamics with water and food security. It regulates lan
 d-atmosphere interactions, and it is directly linked with plant productivi
 ty and survival. The current availability in soil moisture data over large
  areas comes from remote sensing (i.e., s...\n\n---------------------\nRep
 roducing GW150914: The First Observation of Gravitational Waves from a Bin
 ary Black Hole Merger\n\nBrown\n\nIn 2016, LIGO and Virgo announced the fi
 rst observation of gravitational waves from a binary black hole merger, kn
 own as GW150914. To establish the confidence of this detection, large-scal
 e scientific workflows were used to measure the event's statistical signif
 icance. They used code written by the ...\n\n\nDomain: CS and Math, Emergi
 ng Applications, Chemistry and Materials, Climate and Weather, Physics
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