A subtitle of this work: Machine learning without data!
S. M. Moosavi, B. Á. Novotny, D. Ongari, E. Moubarak, M. Asgari, Ö. Kadioglu, C. Charalambous, A. Ortega-Guerrero, A. H. Farmahini, L. Sarkisov, S. Garcia, F. Noé, and B. Smit, A data-science approach to predict the heat capacity of nanoporous materials Nat Mater (2022) http://dx.doi.org/10.1038/s41563-022-01374-3
See the news item on the EPFL page. 