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CATEGORIES:Machine learning in Physics\, Chemistry and Materi
 als discussion group (MLDG)
SUMMARY:Energy landscapes: from molecules to machine learn
 ing - David Wales (Dept. Chemistry\, University of
  Cambridge)
DTSTART;TZID=Europe/London:20200330T163000
DTEND;TZID=Europe/London:20200330T170000
UID:TALK140701AThttp://talks.cam.ac.uk
URL:http://talks.cam.ac.uk/talk/index/140701
DESCRIPTION:Energy landscapes: from molecules to machine learn
 ing\n\nThe potential energy landscape provides a c
 onceptual and computational framework for \ninvest
 igating structure\, dynamics and thermodynamics in
  atomic and molecular science.\nThis talk will hig
 hlight how new approaches for global optimisation\
 , enhanced sampling of systems\nexhibiting broken 
 ergodicity\, and rare event dynamics can provide n
 ew insight into the\nsolution landscape for neural
  networks. The key aim is to explain how\nthe ener
 gy landscape perspective can unify our understandi
 ng of apparently disparate\nsystems. A range of ap
 plications will be presented including recent resu
 lts for machine learning landscapes.\n\nSelected P
 ublications:\n Perspective: New Insights From Loss
  Function Landscapes of Neural Networks. Machine L
 earning: Science and Technology\, in press\, 2020\
 n Machine learning landscapes and predictions for 
 patient outcomes. R Soc Open Sci 4\, 170175\, 2017
 .\n Perspective: Energy Landscapes for Machine Lea
 rning\, PCCP\, 19\, 12585-12603\, 2017.\n Feature 
 Article: Exploring Biomolecular Energy Landscapes\
 , Chem. Commun.\, 53\, 6974\, 2017\n Machine learn
 ing prediction for classification of outcomes in l
 ocal minimisation. Chemical Physics Letters 667\, 
 158\, 2017\n Exploring Energy Landscapes. Ann. Rev
 . Phys. Chem.\, 69\, 401-425\, 2017\n Energy Lands
 capes: Some New Horizons\, Curr. Op. Struct. Biol.
 \, 20\, 3\, 2010.\n Energy Landscapes\, Cambridge 
 University Press\, Cambridge\, 2003
LOCATION:Mott Seminar (531) room\, top floor of the Mott Bu
 ilding\, in the Cavendish Laboratory\, West Cambri
 dge.
CONTACT:Bingqing Cheng 
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