Application and comparison of derivative-free optimization algorithms to control and optimize free radical polymerization simulated using the kinetic Monte Carlo method. - Hanyu Gao; Andreas Wächter; Ivan A. Konstantinov; Steven G. Arturo; Linda J. Broadbelt (Comput. Chem. Eng., 2018)

Direct Optimization across Computer-Generated Reaction Networks Balances Materials Use and Feasibility of Synthesis Plans for Molecule Libraries. - Hanyu Gao; Jean Pauphilet; Thomas J. Struble; Connor W. Coley; Klavs F. Jensen (J. Chem. Inf. Model., 2021)

Correction to Automated Chemical Reaction Extraction from Scientific Literature. - Jiang Guo; A. Santiago Ibanez-Lopez; Hanyu Gao; Victor Quach; Connor W. Coley; Klavs F. Jensen; Regina Barzilay (J. Chem. Inf. Model., 2021)

Automated Chemical Reaction Extraction from Scientific Literature. - Jiang Guo; A. Santiago Ibanez-Lopez; Hanyu Gao; Victor Quach; Connor W. Coley; Klavs F. Jensen; Regina Barzilay (J. Chem. Inf. Model., 2022)

CompQoTE: Generalizing QoT Estimation with Composable ML and End-to-End Learning. - Hanyu Gao; Xiaoliang Chen; Lu Sun 006; Zhaohui Li (OFC, 2023)

Demonstration of Composable-ML-assisted Autonomous Lightpath Configuration over a Field-deployed SDM Network with 7-Core Fibers. - Hanyu Gao; Xiaoliang Chen; Wenbang Zheng; Yingyu Chen; Yongguang Xiao; Zhaohui Li (OFC, 2023)

On the Generalization of Machine-Learning-aided QoT Estimation in Optical Networks. - Hanyu Gao; Liang Zhang; Bin Zhang; Xiaoliang Chen; Zhaohui Li (WOCC, 2023)

RetroOOD: Understanding Out-of-Distribution Generalization in Retrosynthesis Prediction. - Yemin Yu; Luotian Yuan; Ying Wei 001; Hanyu Gao; Fei Wu 001; Zhihua Wang 008; Xinhai Ye (AAAI, 2024)

Experimental Demonstration of Automated ML Service Provisioning for VNT Configuration in SDM Networks. - Hanyu Gao; Xiaokang Chen; Wenbang Zheng; Aoxue Wang; Jingshun Pan; Xiaoliang Chen; Zhaohui Li (OFC, 2024)

Scaling Optical Network Fault Management with Decentralized Graph Learning. - Qunzhi Lin; Xiaokang Chen; Zhenlin Ouyang; Hanyu Gao; Xiaoliang Chen; Zhaohui Li (OFC, 2024)

SMiCRM: A Benchmark Dataset of Mechanistic Molecular Images. - Ching Ting Leung; Yufan Chen; Hanyu Gao (CoRR, 2024)

MG-3D: Multi-Grained Knowledge-Enhanced 3D Medical Vision-Language Pre-training. - Xuefeng Ni; Linshan Wu; Jiaxin Zhuang; Qiong Wang 001; Mingxiang Wu; Varut Vardhanabhuti; Lihai Zhang; Hanyu Gao; Hao Chen 011 (CoRR, 2024)

On the generalization of cognitive optical networking applications using composable machine learning. - Hanyu Gao; Xiaoliang Chen; Chao Lu; Zhaohui Li (J. Opt. Commun. Netw., 2024)

MolNexTR: a generalized deep learning model for molecular image recognition. - Yufan Chen; Ching Ting Leung; Yong Huang; Jianwei Sun; Hao Chen; Hanyu Gao (J. Cheminformatics, 2024)

Towards Large-scale Chemical Reaction Image Parsing via a Multimodal Large Language Model. - Yufan Chen; Ching Ting Leung; Jianwei Sun; Yong Huang; Linyan Li; Hao Chen; Hanyu Gao (CoRR, 2025)

A Multi-Agent System Enables Versatile Information Extraction from the Chemical Literature. - Yufan Chen; Ching Ting Leung; Bowen Yu; Jianwei Sun; Yong Huang; Linyan Li; Hao Chen; Hanyu Gao (CoRR, 2025)