Zhonglin Cao

Publication Activity (10 Years)

Years Active: 2019-2024
Publications (10 Years): 9

Top Topics

Active Learning

Surface Reconstruction

Top Venues

Mach. Learn. Sci. Technol.

Nat. Mach. Intell.

Publications

Zhonglin Cao, Simone Sciabola, Ye Wang
Large-Scale Pretraining Improves Sample Efficiency of Active Learning-Based Virtual Screening. J. Chem. Inf. Model. 64 (6) (2024)
Zhonglin Cao, Yuyang Wang, Cooper Lorsung, Amir Barati Farimani
Neural Network Predicts Ion Concentration Profiles under Nanoconfinement. CoRR (2023)
Zhonglin Cao, Simone Sciabola, Ye Wang
Large-scale Pretraining Improves Sample Efficiency of Active Learning based Molecule Virtual Screening. CoRR (2023)
Zhonglin Cao, Rishikesh Magar, Yuyang Wang, Amir Barati Farimani
MOFormer: Self-Supervised Transformer model for Metal-Organic Framework Property Prediction. CoRR (2022)
Yuyang Wang, Jianren Wang, Zhonglin Cao, Amir Barati Farimani
Molecular contrastive learning of representations via graph neural networks. Nat. Mach. Intell. 4 (3) (2022)
Junwoong Yoon, Zhonglin Cao, Rajesh K. Raju, Yuyang Wang, Robert Burnley, Andrew J. Gellman, Amir Barati Farimani, Zachary W. Ulissi
Deep reinforcement learning for predicting kinetic pathways to surface reconstruction in a ternary alloy. Mach. Learn. Sci. Technol. 2 (4) (2021)
Yuyang Wang, Zhonglin Cao, Amir Barati Farimani
Deep Reinforcement Learning Optimizes Graphene Nanopores for Efficient Desalination. CoRR (2021)
Yuyang Wang, Jianren Wang, Zhonglin Cao, Amir Barati Farimani
MolCLR: Molecular Contrastive Learning of Representations via Graph Neural Networks. CoRR (2021)
Zhonglin Cao, Ping Chen, Zhong Ma, Sheng Li, Xingxun Gao, Rui-xin Wu, Lijia Pan, Yi Shi
Near-Field Communication Sensors. Sensors 19 (18) (2019)