Jiahua Rao

According to our database, Jiahua Rao authored at least 35 papers between 2019 and 2026.

Collaborative distances:

• Dijkstra number of five.
• Erdős number of four.

2026

BindCLIP: A Unified Contrastive-Generative Representation Learning Framework for Virtual Screening.

Anjie Qiao, Zhen Wang, Yaliang Li, Jiahua Rao, Yuedong Yang

CoRR, February, 2026

TripK _<i>a</i> : Accurate and Scalable Acid-Base Dissociation Property Prediction via Triplet Interaction Networks and Physical Knowledge.

Wentao Wei, Jiahua Rao, Bai Xue, Jiancong Xie, Dahao Xu, Xichen Sun, Yutong Lu, Yu Wang, Mingjun Yang, Yuedong Yang

J. Chem. Inf. Model., 2026

DAMPE: Fusing intrinsic and extrinsic information for protein function prediction.

Runjie Zheng, Zhen Wang, Anjie Qiao, Jiancong Xie, Jiahua Rao, Yuedong Yang

Inf. Fusion, 2026

Advancing Protein Design via Multi-Agent Reinforcement Learning with Pareto-Based Collaborative Optimization.

Mingming Zhu, Jiahua Rao, Xiaoyu Chen, Qianmu Yuan, Yuedong Yang

Proceedings of the Fortieth AAAI Conference on Artificial Intelligence, 2026

Informative Subgraph Extraction with Deep Reinforcement Learning for Drug-Drug Interaction Prediction.

Jiancong Xie, Wentao Wei, Chi Zhang, Jiahua Rao, Yuedong Yang

Proceedings of the Fortieth AAAI Conference on Artificial Intelligence, 2026

De Novo Molecular Generation from Mass Spectra via Many-Body Enhanced Diffusion.

Xichen Sun, Wentao Wei, Jiahua Rao, Jiancong Xie, Yuedong Yang

Proceedings of the Fortieth AAAI Conference on Artificial Intelligence, 2026

2025

A Novel Framework for Multi-Modal Protein Representation Learning.

Runjie Zheng, Zhen Wang, Anjie Qiao, Jiancong Xie, Jiahua Rao, Yuedong Yang

CoRR, October, 2025

Fitness aligned structural modeling enables scalable virtual screening with AuroBind.

Zhongyue Zhang, Jiahua Rao, Jie Zhong, Weiqiang Bai, Dongxue Wang, Shaobo Ning, Lifeng Qiao, Sheng Xu, Runze Ma, Will Hua, Jack Xiaoyu Chen, Odin Zhang, Wei Lu, Hanyi Feng, He Yang, Xinchao Shi, Rui Li, Wanli Ouyang, Xinzhu Ma, Jiahao Wang, Jixian Zhang, Jia Duan, Siqi Sun, Jian Zhang, Shuangjia Zheng

CoRR, August, 2025

A 3D pocket-aware lead optimization model with knowledge guidance and its application for discovery of new glutaminyl cyclase inhibitors.

Anjie Qiao, Yuting Chen, Junjie Xie, Weifeng Huang, Hao Zhang, Qirui Deng, Jiahua Rao, Ji Deng, Fanbo Meng, Zhen Wang, Mingyuan Xu, Hongming Chen, Jiancong Xie, Shuangjia Zheng, Yuedong Yang, Guo-Bo Li, Jinping Lei

Briefings Bioinform., July, 2025

A 3D pocket-aware and affinity-guided diffusion model for lead optimization.

Anjie Qiao, Junjie Xie, Weifeng Huang, Hao Zhang, Jiahua Rao, Shuangjia Zheng, Yuedong Yang, Zhen Wang, Guo-Bo Li, Jinping Lei

CoRR, April, 2025

Incorporating Retrieval-based Causal Learning with Information Bottlenecks for Interpretable Molecular Graph Learning.

Jiahua Rao, Hanjing Lin, Jiancong Xie, Zhen Wang, Shuangjia Zheng, Yuedong Yang

Proceedings of the 31st ACM SIGKDD Conference on Knowledge Discovery and Data Mining, V.2, 2025

Quadruple Attention in Many-body Systems for Accurate Molecular Property Predictions.

Jiahua Rao, Dahao Xu, Wentao Wei, Yicong Chen, Mingjun Yang, Yuedong Yang

Proceedings of the Forty-second International Conference on Machine Learning, 2025

Multi-modal Contrastive Learning with Negative Sampling Calibration for Phenotypic Drug Discovery.

Jiahua Rao, Hanjing Lin, Leyu Chen, Jiancong Xie, Shuangjia Zheng, Yuedong Yang

Proceedings of the IEEE/CVF Conference on Computer Vision and Pattern Recognition, 2025

Advancing Retrosynthesis with Retrieval-Augmented Graph Generation.

Anjie Qiao, Zhen Wang, Jiahua Rao, Yuedong Yang, Zhewei Wei

Proceedings of the Thirty-Ninth AAAI Conference on Artificial Intelligence, 2025

2024

Deep generative design of RNA aptamers using structural predictions.

Felix Wong, Dongchen He, Aarti Krishnan, Liang Hong, Alexander Z. Wang, Jiuming Wang, Zhihang Hu, Satotaka Omori, Alicia Li, Jiahua Rao, Qinze Yu, Wengong Jin, Tianqing Zhang, Katherine Ilia, Jack X. Chen, Shuangjia Zheng, Irwin King, Yu Li, James J. Collins

Nat. Comput. Sci., November, 2024

Predicting disease-gene associations through self-supervised mutual infomax graph convolution network.

Jiancong Xie, Jiahua Rao, Junjie Xie, Huiying Zhao, Yuedong Yang

Comput. Biol. Medicine, March, 2024

Self-Supervised Contrastive Molecular Representation Learning with a Chemical Synthesis Knowledge Graph.

Jiancong Xie, Yi Wang, Jiahua Rao, Shuangjia Zheng, Yuedong Yang

J. Chem. Inf. Model., 2024

Incorporating Retrieval-based Causal Learning with Information Bottlenecks for Interpretable Graph Neural Networks.

Jiahua Rao, Jiancong Xie, Hanjing Lin, Shuangjia Zheng, Zhen Wang, Yuedong Yang

CoRR, 2024

Interpretable Drug Response Prediction through Molecule Structure-aware and Knowledge-Guided Visible Neural Network.

Jiancong Xie, Zhe Zhang, Youyou Li, Jiahua Rao, Yuedong Yang

Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2024

2023

Retrieval-based Knowledge Augmented Vision Language Pre-training.

Jiahua Rao, Zifei Shan, Longpo Liu, Yao Zhou, Yuedong Yang

Proceedings of the 31st ACM International Conference on Multimedia, 2023

2022

Integrating supercomputing and artificial intelligence for life science.

Jiahua Rao, Shuangjia Zheng, Yuedong Yang

Patterns, 2022

Quantitative evaluation of explainable graph neural networks for molecular property prediction.

Jiahua Rao, Shuangjia Zheng, Yutong Lu, Yuedong Yang

Patterns, 2022

Imputing DNA Methylation by Transferred Learning Based Neural Network.

Xinfeng Wang, Xiang Zhou, Jiahua Rao, Zhu-Jin Zhang, Yue-Dong Yang

J. Comput. Sci. Technol., 2022

AlphaFold2-aware protein-DNA binding site prediction using graph transformer.

Qianmu Yuan, Sheng Chen, Jiahua Rao, Shuangjia Zheng, Huiying Zhao, Yuedong Yang

Briefings Bioinform., 2022

TANKBind: Trigonometry-Aware Neural NetworKs for Drug-Protein Binding Structure Prediction.

Wei Lu, Qifeng Wu, Jixian Zhang, Jiahua Rao, Chengtao Li, Shuangjia Zheng

Proceedings of the Advances in Neural Information Processing Systems 35: Annual Conference on Neural Information Processing Systems 2022, 2022

Communicative Subgraph Representation Learning for Multi-Relational Inductive Drug-Gene Interaction Prediction.

Jiahua Rao, Shuangjia Zheng, Sijie Mai, Yuedong Yang

Proceedings of the Thirty-First International Joint Conference on Artificial Intelligence, 2022

2021

PharmKG: a dedicated knowledge graph benchmark for bomedical data mining.

Shuangjia Zheng, Jiahua Rao, Ying Song, Jixian Zhang, Xianglu Xiao, Evandro Fei Fang, Yuedong Yang, Zhangming Niu

Briefings Bioinform., July, 2021

Learning Attributed Graph Representations with Communicative Message Passing Transformer.

Jianwen Chen, Shuangjia Zheng, Ying Song, Jiahua Rao, Yuedong Yang

CoRR, 2021

Quantitative Evaluation of Explainable Graph Neural Networks for Molecular Property Prediction.

Jiahua Rao, Shuangjia Zheng, Yuedong Yang

CoRR, 2021

Integrating multi-omics data through deep learning for accurate cancer prognosis prediction.

Hua Chai, Xiang Zhou, Zhongyue Zhang, Jiahua Rao, Huiying Zhao, Yuedong Yang

Comput. Biol. Medicine, 2021

Learning Attributed Graph Representation with Communicative Message Passing Transformer.

Jianwen Chen, Shuangjia Zheng, Ying Song, Jiahua Rao, Yuedong Yang

Proceedings of the Thirtieth International Joint Conference on Artificial Intelligence, 2021

2020

Predicting Retrosynthetic Reactions Using Self-Corrected Transformer Neural Networks.

Shuangjia Zheng, Jiahua Rao, Zhongyue Zhang, Jun Xu, Yuedong Yang

J. Chem. Inf. Model., 2020

Accurate prediction of genome-wide RNA secondary structure profile based on extreme gradient boosting.

Yaobin Ke, Jiahua Rao, Huiying Zhao, Yutong Lu, Nong Xiao, Yuedong Yang

Bioinform., 2020

Accurately Clustering Single-cell RNA-seq data by Capturing Structural Relations between Cells through Graph Convolutional Network.

Yuansong Zeng, Xiang Zhou, Jiahua Rao, Yutong Lu, Yuedong Yang

Proceedings of the IEEE International Conference on Bioinformatics and Biomedicine, 2020

2019

Predicting Retrosynthetic Reaction using Self-Corrected Transformer Neural Networks.

Shuangjia Zheng, Jiahua Rao, Zhongyue Zhang, Jun Xu, Yuedong Yang

CoRR, 2019