Learning Invariant Representations of Molecules for Atomization Energy Prediction - Montavon, Grégoire; Hansen, Katja; Fazli, Siamac; Rupp, Matthias; Biegler, Franziska; Ziehe, Andreas; Tkatchenko, Alexandre; Lilienfeld, Anatole; Müller, Klaus-Robert (Advances in Neural Information Processing Systems, 2012)