Prediction Errors of Molecular Machine Learning Models Lower than Hybrid DFT Error

Document Details

Document Type
Pub Defense Publication
Publication Date
Oct 10, 2017
Source ID
10.1021/acs.jctc.7b00577

Entities

People

  • Bing Huang
  • Felix A Faber
  • George E. Dahl
  • Justin Gilmer
  • Luke Hutchison
  • O Anatole von Lilienfeld
  • Oriol Vinyals
  • Patrick F. Riley
  • Samuel S. Schoenholz
  • Steven Kearnes

Organizations

  • Air Force Office of Scientific Research
  • Google
  • Swiss National Science Foundation

Tags

Technology Areas

  • AI & ML
  • AI & ML - Bayesian Inference
  • AI & ML - Neural Networks