1. Department of Physics and Materials Science, University of Luxembourg, L-1511 Luxembourg, Luxembourg
2. Machine Learning Group, Technische Universität Berlin, 10587 Berlin, Germany
3. BASLEARN, BASF-TU Joint Lab, Technische Universität Berlin, 10587 Berlin, Germany
4. DFG Cluster of Excellence “Unifying Systems in Catalysis” (UniSysCat), Technische Universität Berlin, 10623 Berlin, Germany
5. Department of Artificial Intelligence, Korea University, Anam-dong, Seongbuk-gu, Seoul 136-713, South Korea
6. Max Planck Institute for Informatics, Stuhlsatzenhausweg, 66123 Saarbrücken, Germany
7. Google Research, Brain Team, Berlin, Germany