Learning to Optimize in Swarms. - Yue Cao 010; Tianlong Chen 001; Zhangyang Wang; Yang Shen 001 (NeurIPS, 2019)

Bayesian active learning for optimization and uncertainty quantification in protein docking. - Yue Cao 010; Yang Shen 001 (CoRR, 2019)

Energy-based Graph Convolutional Networks for Scoring Protein Docking Models. - Yue Cao 010; Yang Shen 001 (CoRR, 2019)

De Novo Protein Design for Novel Folds Using Guided Conditional Wasserstein Generative Adversarial Networks. - Mostafa Karimi; Shaowen Zhu; Yue Cao 010; Yang Shen 001 (J. Chem. Inf. Model., 2020)

Fold2Seq: A Joint Sequence(1D)-Fold(3D) Embedding-based Generative Model for Protein Design. - Yue Cao 010; Payel Das; Vijil Chenthamarakshan; Pin-Yu Chen; Igor Melnyk; Yang Shen 001 (ICML, 2021)

TALE: Transformer-based protein function Annotation with joint sequence-Label Embedding. - Yue Cao 010; Yang Shen 001 (Bioinform., 2021)

Bayesian Modeling and Uncertainty Quantification for Learning to Optimize: What, Why, and How. - Yuning You; Yue Cao 010; Tianlong Chen 001; Zhangyang Wang; Yang Shen 001 (ICLR, 2022)