Representations and Strategies for Transferable Machine Learning Models in Chemical Discovery

no code implementations • 20 Jun 2021 • Daniel R. Harper, Aditya Nandy, Naveen Arunachalam, Chenru Duan, Jon Paul Janet, Heather J. Kulik

To address the common challenge of discovery in a new space where data is limited, we introduce a transfer learning approach in which we seed models trained on a large amount of data from one row of the periodic table with a small number of data points from the additional row.

BIG-bench Machine Learning Transfer Learning