Deep Latent-Variable Models for Controllable Molecule Generation. - Yuanqi Du; Yinkai Wang; Fardina Fathmiul Alam; Yuanjie Lu; Xiaojie Guo 002; Liang Zhao 002; Amarda Shehu (BIBM, 2021)

Ensemble Machine Learning System for Student AcademicPerformance Prediction. - Yinkai Wang; Aowei Ding; Kaiyi Guan; Yuanqi Du (EDM (Workshops), 2021)

Graph-based Ensemble Machine Learning for Student Performance Prediction. - Yinkai Wang; Aowei Ding; Kaiyi Guan; Shixi Wu; Yuanqi Du (CoRR, 2021)

Dataset Geography: Mapping Language Data to Language Users. - Fahim Faisal; Yinkai Wang; Antonios Anastasopoulos (ACL (1), 2022)

Property-Controllable Generation of Quaternary Ammonium Compounds. - Bo Pan; Yinkai Wang; Xuanyang Lin; Muran Qin; Yuanqi Du; Shiva Ghaemi; Aowei Ding; Shiyu Wang 002; Saleh AlKhalifa; Kevin Minbiole; William M. Wuest; Ashley Ann Petersen; et al. (BIBM, 2022)

Generation and Characterization of Quaternary Ammonium Compounds via Deep Learning. - Yinkai Wang; Shiva Ghaemi; Aowei Ding; Yuanqui Du; Bo Pan; Muran Qin; Xuanyang Lin; Ashley Ann Petersen; Austin Leitgeb; Saleh AlKhalifa; Kevin Minbiole; William M. Wuest; et al. (BIBM, 2022)

A Survey on Deep Graph Generation: Methods and Applications. - Yanqiao Zhu 001; Yuanqi Du; Yinkai Wang; Yichen Xu; Jieyu Zhang 001; Qiang Liu 006; Shu Wu (LoG, 2022)

Multi-objective Deep Data Generation with Correlated Property Control. - Shiyu Wang 002; Xiaojie Guo 002; Xuanyang Lin; Bo Pan; Yuanqi Du; Yinkai Wang; Yanfang Ye 001; Ashley Ann Petersen; Austin Leitgeb; Saleh AlKhalifa; Kevin Minbiole; William M. Wuest; et al. (NeurIPS, 2022)

Small molecule generation via disentangled representation learning. - Yuanqi Du; Xiaojie Guo 002; Yinkai Wang; Amarda Shehu; Liang Zhao 002 (Bioinform., 2022)

On Separate Normalization in Self-supervised Transformers. - Xiaohui Chen; Yinkai Wang; Yuanqi Du; Soha Hassoun; Liping Liu 001 (NeurIPS, 2023)

MADGEN: Mass-Spec attends to De Novo Molecular generation. - Yinkai Wang; Xiaohui Chen; Liping Liu; Soha Hassoun (ICLR, 2025)

Graph Generative Pre-trained Transformer. - Xiaohui Chen; Yinkai Wang; Jiaxing He; Yuanqi Du; Soha Hassoun; Xiaolin Xu; Li-Ping Liu 001 (CoRR, 2025)

Large Language Model is Secretly a Protein Sequence Optimizer. - Yinkai Wang; Jiaxing He; Yuanqi Du; Xiaohui Chen; Jianan Canal Li; Liping Liu 001; Xiaolin Xu; Soha Hassoun (CoRR, 2025)