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1 Ergebnisse
1
Acceleration of Graph Neural Network-Based Prediction Model..:
Hatem Helal
;
Jesun Firoz
;
Jenna A. Bilbrey
...
doi:10.1021/acs.jcim.3c01312.s001. , 2024
Link:
https://doi.org/10.1021/acs.jcim.3c01312.s001
RT Journal T1
Acceleration of Graph Neural Network-Based Prediction Models in Chemistry via Co-Design Optimization on Intelligence Processing Units
UL https://suche.suub.uni-bremen.de/peid=base-ftunivoxfordfig:oai:figshare.com:article_25262924&Exemplar=1&LAN=DE A1 Hatem Helal A1 Jesun Firoz A1 Jenna A. Bilbrey A1 Henry Sprueill A1 Kristina M. Herman A1 Mario Michael Krell A1 Tom Murray A1 Manuel Lopez Roldan A1 Mike Kraus A1 Ang Li A1 Payel Das A1 Sotiris S. Xantheas A1 Sutanay Choudhury YR 2024 K1 Biophysics K1 Medicine K1 Computational Biology K1 Space Science K1 Biological Sciences not elsewhere classified K1 Mathematical Sciences not elsewhere classified K1 Chemical Sciences not elsewhere classified K1 Information Systems not elsewhere classified K1 support communication patterns K1 scatter operations targeted K1 merged communication collectives K1 intelligence processing unit K1 eliminate redundant computation K1 chemistry via co K1 bin packing problem K1 alternative padding techniques K1 8 × faster K1 graph neural network K1 5 × compared K1 established atomistic gnn K1 proposed codesign approach K1 associated property calculations K1 size atomistic graphs K1 atomistic gnn implementation K1 based prediction models K1 property prediction K1 codesign approach K1 atomistic gnns K1 memory associated K1 graph counts K1 based implementation K1 average compared K1 small graphs K1 large graphs K1 varying degrees K1 variable size K1 specific optimizations K1 social networks K1 since high K1 prohibitively expensive K1 process millions K1 optimized softplus K1 nvidia gpu K1 ipu implementation K1 ipu ) K1 graphcore ' K1 execution time K1 effective coalescing K1 design optimization K1 chemical physics JF doi:10.1021/acs.jcim.3c01312.s001 LK http://dx.doi.org/https://doi.org/10.1021/acs.jcim.3c01312.s001 DO https://doi.org/10.1021/acs.jcim.3c01312.s001 SF ELIB - SuUB Bremen
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