Toward diverse polymer property prediction using transfer learning

[Display omitted] The prediction of mechanical and thermal properties of polymers is a critical aspect for polymer development. Herein, we discuss the use of transfer learning approach to predict multiple properties of linear polymers. The neural network model is initially trained to predict the heat capacity in constant pressure (Cp) of linear polymers using 124 data points. Once, the pre-trained model is transferred to predict four additional properties of polymers: specific heat capacity (Cv), shear modulus, flexural stress strength at yield, and dynamic viscosity. They represent a diverse set of mechanical, thermal and rheological properties. We demonstrate the effectiveness of the approach by achieving high accuracy in predicting the four additional properties using relatively small datasets of 13 to 18 samples. Also, the performance of the base model is examined using five different loss functions. Our results suggest that the combined loss function had better performance compared to the individual loss functions.