Towards Effective and Generalizable Fine-tuning for Pre-trained Molecular Graph Models
Jun Xia, Jiangbin Zheng, Cheng Tan, Ge Wang, Stan Ziqing Li
The paper proposes two strategies to improve generalization in fine-tuning pre-trained molecular graph models by augmenting data and regularizing model complexity.
bioRxiv · Feb 3, 2022 · PreprintBioinformatics