Learning Invariant Representations of Molecules for Atomization Energy Prediction

Grégoire Montavon, Katja Hansen, Siamac Fazli, Matthias Rupp, Franziska Biegler, Andreas Ziehe, Alexandre Tkatchenko, Anatole von Lilienfeld, Klaus-Robert Müller. Learning Invariant Representations of Molecules for Atomization Energy Prediction. In Peter L. Bartlett, Fernando C. N. Pereira, Christopher J. C. Burges, Léon Bottou, Kilian Q. Weinberger, editors, Advances in Neural Information Processing Systems 25: 26th Annual Conference on Neural Information Processing Systems 2012. Proceedings of a meeting held December 3-6, 2012, Lake Tahoe, Nevada, United States. pages 449-457, 2012. [doi]

@inproceedings{MontavonHFRBZTLM12,
  title = {Learning Invariant Representations of Molecules for Atomization Energy Prediction},
  author = {Grégoire Montavon and Katja Hansen and Siamac Fazli and Matthias Rupp and Franziska Biegler and Andreas Ziehe and Alexandre Tkatchenko and Anatole von Lilienfeld and Klaus-Robert Müller},
  year = {2012},
  url = {http://books.nips.cc/papers/files/nips25/NIPS2012_0223.pdf},
  researchr = {https://researchr.org/publication/MontavonHFRBZTLM12},
  cites = {0},
  citedby = {0},
  pages = {449-457},
  booktitle = {Advances in Neural Information Processing Systems 25: 26th Annual Conference on Neural Information Processing Systems 2012. Proceedings of a meeting held December 3-6, 2012, Lake Tahoe, Nevada, United States},
  editor = {Peter L. Bartlett and Fernando C. N. Pereira and Christopher J. C. Burges and Léon Bottou and Kilian Q. Weinberger},
}