Tianfan Fu - RankMe

110 papers A* 12A 3B 2Misc 1Journal 81Unranked 10

Year	Rank	Type	Title / Venue / Authors
2026	J	`jnl`	Beyond Affinity: A Benchmark of 1D, 2D, and 3D Methods Reveals Critical Trade-offs in Structure-Based Drug Design. CoRR Kangyu Zheng, Kai Zhang, Jiale Tan, Xuehan Chen, Yingzhou Lu, Zaixi Zhang, Lichao Sun, Marinka Zitnik, Tianfan Fu, Zhiding Liang
2026	J	`jnl`	Beyond Affinity: A Benchmark of 1D, 2D, and 3D Methods Reveals Critical Trade-offs in Structure-Based Drug Design. Trans. Mach. Learn. Res. Kangyu Zheng, Kai Zhang, Jiale Tan, Xuehan Chen, Yingzhou Lu, Zaixi Zhang, Lichao Sun, Marinka Zitnik, Tianfan Fu, Zhiding Liang
2026	J	`jnl`	ClinicalReTrial: A Self-Evolving AI Agent for Clinical Trial Protocol Optimization. CoRR Sixue Xing, Xuanye Xia, Kerui Wu, Meng Jiang, Jintai Chen, Tianfan Fu
2026	J	`jnl`	Does the Question Really Matter? Training-Free Data Selection for Vision-Language SFT. CoRR Peng Sun, Huawen Shen, Yi Ban, Tianfan Fu, Yanbo Wang, Yuqiang Li
2026	J	`jnl`	EnzyPGM: Pocket-conditioned Generative Model for Substrate-specific Enzyme Design. CoRR Zefeng Lin, Zhihang Zhang, Weirong Zhu, Tongchang Han, Xianyong Fang, Tianfan Fu, Xiaohua Xu
2026	J	`jnl`	NMRTrans: Structure Elucidation from Experimental NMR Spectra via Set Transformers. CoRR Liujia Yang, Zhuo Yang, Jiaqing Xie, Yubin Wang, Ben Gao, Tianfan Fu, Xingjian Wei, Jiaxing Sun, Jiang Wu, Conghui He, Yuqiang Li, Qinying Gu
2026	J	`jnl`	Navigating heterogeneous protein landscapes through geometry-aware smoothing. CoRR Srinivas Anumasa, Barath Chandran. C, Tingting Chen, Nuwaisir Mohammad Rahman, Yingtao Zhu, Rushi Shah, Hongyu He, Peisong Zhang, Yizhen Liao, Yiming Tang, Yong Shen, Tianfan Fu, Rui Qing, Xiao Li, Sebastian Maurer-Stroh, Xinyi Su, ZhiZhuo Zhang, Dianbo Liu
2026	J	`jnl`	Preserving Continuous Symmetry in Discrete Spaces: Geometric-Aware Quantization for SO(3)-Equivariant GNNs. CoRR Haoyu Zhou, Ping Xue, Hao Zhang, Tianfan Fu
2026	J	`jnl`	QCS-ADME: Quantum circuit search for drug property prediction with imbalanced data and regression adaptation. Quantum Mach. Intell. Kangyu Zheng, Tianfan Fu, Zhiding Liang
2026	J	`jnl`	Quantized SO(3)-Equivariant Graph Neural Networks for Efficient Molecular Property Prediction. CoRR Haoyu Zhou, Ping Xue, Tianfan Fu, Hao Zhang
2026	J	`jnl`	RiboSphere: Learning Unified and Efficient Representations of RNA Structures. CoRR Zhou Zhang, Hanqun Cao, Cheng Tan, Fang Wu, Pheng-Ann Heng, Tianfan Fu
2025	J	`jnl`	A Survey of Scientific Large Language Models: From Data Foundations to Agent Frontiers. CoRR Ming Hu, Chenglong Ma, Wei Li, Wanghan Xu, Jiamin Wu, Jucheng Hu, Tianbin Li, Guohang Zhuang, Jiaqi Liu, Yingzhou Lu, Ying Chen, Chaoyang Zhang, Cheng Tan, Jie Ying, Guocheng Wu, Shujian Gao, Pengcheng Chen, Jiashi Lin, Haitao Wu, Lulu Chen, Fengxiang Wang, Yuanyuan Zhang, Xiangyu Zhao, Feilong Tang, Encheng Su, Junzhi Ning, Xinyao Liu, Ye Du, Changkai Ji, Cheng Tang, Huihui Xu, Ziyang Chen, Ziyan Huang, Jiyao Liu, Pengfei Jiang, Yizhou Wang, Chen Tang, Jianyu Wu, Yuchen Ren, Siyuan Yan, Zhonghua Wang, Zhongxing Xu, Shiyan Su, Shangquan Sun, Runkai Zhao, Zhisheng Zhang, Yu Liu, Fudi Wang, Yuanfeng Ji, Yanzhou Su, Hongming Shan, Chun-Mei Feng, Jiahao Xu, Jiangtao Yan, Wenhao Tang, Diping Song, Lihao Liu, Yanyan Huang, Lequan Yu, Bin Fu, Shujun Wang, Xiaomeng Li, Xiaowei Hu, Yun Gu, Ben Fei, Zhongying Deng, Benyou Wang, Yuewen Cao, Minjie Shen, Haodong Duan, Jie Xu, Yirong Chen, Fang Yan, Hongxia Hao, Jielan Li, Jiajun Du, Yanbo Wang, Imran Razzak, Chi Zhang, Lijun Wu, Conghui He, Zhaohui Lu, Jinhai Huang, Yihao Liu, Fenghua Ling, Yuqiang Li, Aoran Wang, Qihao Zheng, Nanqing Dong, Tianfan Fu, Dongzhan Zhou, Yan Lu, Wenlong Zhang, Jin Ye, Jianfei Cai, Wanli Ouyang, Yu Qiao, Zongyuan Ge, Shixiang Tang, Junjun He
2025	J	`jnl`	A review on knowledge graphs for healthcare: Resources, applications, and promises. J. Biomed. Informatics Hejie Cui, Jiaying Lu, Ran Xu, Shiyu Wang, Wenjing Ma, Yue Yu, Shaojun Yu, Xuan Kan, Chen Ling, Liang Zhao, Zhaohui S. Qin, Joyce C. Ho, Tianfan Fu, Jing Ma, Mengdi Huai, Fei Wang, Carl Yang
2025	J	`jnl`	ATLAS: A High-Difficulty, Multidisciplinary Benchmark for Frontier Scientific Reasoning. CoRR Hongwei Liu, Junnan Liu, Shudong Liu, Haodong Duan, Yuqiang Li, Mao Su, Xiaohong Liu, Guangtao Zhai, Xinyu Fang, Qianhong Ma, Taolin Zhang, Zihan Ma, Yufeng Zhao, Peiheng Zhou, Linchen Xiao, Wenlong Zhang, Shijie Zhou, Xingjian Ma, Siqi Sun, Jiaye Ge, Meng Li, Yuhong Liu, Jianxin Dong, Jiaying Li, Hui Wu, Hanwen Liang, Jintai Lin, Yanting Wang, Jie Dong, Tong Zhu, Tianfan Fu, Conghui He, Qi Zhang, Songyang Zhang, Lei Bai, Kai Chen
2025	J	`jnl`	Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems. Found. Trends Mach. Learn. Xuan Zhang, Limei Wang, Jacob Helwig, Youzhi Luo, Cong Fu, Yaochen Xie, Meng Liu, Yuchao Lin, Zhao Xu, Keqiang Yan, Keir Adams, Maurice Weiler, Xiner Li, Tianfan Fu, Yucheng Wang, Alex Strasser, Haiyang Yu, Yuqing Xie, Xiang Fu, Shenglong Xu, Yi Liu, Yuanqi Du, Alexandra Saxton, Hongyi Ling, Hannah Lawrence, Hannes Stärk, Shurui Gui, Carl Edwards, Nicholas Gao, Adriana Ladera, Tailin Wu, Elyssa F. Hofgard, Aria Mansouri Tehrani, Rui Wang, Ameya Daigavane, Montgomery Bohde, Jerry Kurtin, Qian Huang, Tuong Phung, Minkai Xu, Chaitanya K. Joshi, Simon V. Mathis, Kamyar Azizzadenesheli, Ada Fang, Alán Aspuru-Guzik, Erik J. Bekkers, Michael M. Bronstein, Marinka Zitnik, Anima Anandkumar, Stefano Ermon, Pietro Liò, Rose Yu, Stephan Günnemann, Jure Leskovec, Heng Ji, Jimeng Sun, Regina Barzilay, Tommi S. Jaakkola, Connor W. Coley, Xiaoning Qian, Xiaofeng Qian, Tess E. Smidt, Shuiwang Ji
2025	A*	`conf`	Bi-level Contrastive Learning for Knowledge-Enhanced Molecule Representations. AAAI Pengcheng Jiang, Cao Xiao, Tianfan Fu, Parminder Bhatia, Taha A. Kass-Hout, Jimeng Sun, Jiawei Han
2025	J	`jnl`	Biomedical Foundation Model: A Survey. CoRR Xiangrui Liu, Yuanyuan Zhang, Yingzhou Lu, Changchang Yin, Xiaoling Hu, Xiaoou Liu, Lulu Chen, Sheng Wang, Alexander Rodriguez, Huaxiu Yao, Yezhou Yang, Ping Zhang, Jintai Chen, Tianfan Fu, Xiao Wang
2025	J	`jnl`	Bladder Cancer Diagnosis with Deep Learning: A Multi-Task Framework and Online Platform. CoRR Jinliang Yu, Mingduo Xie, Yue Wang, Tianfan Fu, Xianglai Xu, Jiajun Wang
2025	J	`jnl`	Chem-R: Learning to Reason as a Chemist. CoRR Weida Wang, Benteng Chen, Di Zhang, Wanhao Liu, Shuchen Pu, Ben Gao, Jin Zeng, Xiaoyong Wei, Tianshu Yu, Shuzhou Sun, Tianfan Fu, Wanli Ouyang, Lei Bai, Jiatong Li, Zifu Wang, Yuqiang Li, Shufei Zhang
2025	J	`jnl`	Chem3DLLM: 3D Multimodal Large Language Models for Chemistry. CoRR Lei Jiang, Shuzhou Sun, Biqing Qi, Yuchen Fu, Xiaohua Xu, Yuqiang Li, Dongzhan Zhou, Tianfan Fu
2025	J	`jnl`	ChemMLLM: Chemical Multimodal Large Language Model. CoRR Qian Tan, Dongzhan Zhou, Peng Xia, Wanhao Liu, Wanli Ouyang, Lei Bai, Yuqiang Li, Tianfan Fu
2025	J	`jnl`	DeepProtein: deep learning library and benchmark for protein sequence learning. Bioinform. Jiaqing Xie, Yuqiang Li, Tianfan Fu
2025	J	`jnl`	From Supervision to Exploration: What Does Protein Language Model Learn During Reinforcement Learning? CoRR Hanqun Cao, Hongrui Zhang, Junde Xu, Zhou Zhang, Lingdong Shen, Minghao Sun, Ge Liu, Jinbo Xu, Wu-Jun Li, Jinren Ni, Cesar de la Fuente-Nunez, Tianfan Fu, Yejin Choi, Pheng-Ann Heng, Fang Wu
2025	J	`jnl`	Gradient GA: Gradient Genetic Algorithm For Drug Molecular Design. Trans. Mach. Learn. Res. Debadyuti Mukherjee, Chris Zhuang, Yingzhou Lu, Tianfan Fu, Ruqi Zhang
2025	J	`jnl`	Gradient GA: Gradient Genetic Algorithm for Drug Molecular Design. CoRR Chris Zhuang, Debadyuti Mukherjee, Yingzhou Lu, Tianfan Fu, Ruqi Zhang
2025	J	`jnl`	GraphPINE: Graph Importance Propagation for Interpretable Drug Response Prediction. CoRR Yoshitaka Inoue, Tianfan Fu, Augustin Luna
2025	—	`conf`	LIFTED: Multimodal Clinical Trial Outcome Prediction via Large Language Models and Mixture-of-Experts. EMNLP (Findings) Wenhao Zheng, Liaoyaqi Wang, Dongsheng Peng, Hongxia Xu, Yun Li, Hongtu Zhu, Tianfan Fu, Huaxiu Yao
2025	J	`jnl`	MolAct: An Agentic RL Framework for Molecular Editing and Property Optimization. CoRR Zhuo Yang, Yeyun Chen, Jiaqing Xie, Ben Gao, Shuaike Shen, Wanhao Liu, Liujia Yang, Beilun Wang, Tianfan Fu, Yuqiang Li
2025	J	`jnl`	MolSpectLLM: A Molecular Foundation Model Bridging Spectroscopy, Molecule Elucidation, and 3D Structure Generation. CoRR Shuaike Shen, Jiaqing Xie, Zhuo Yang, Antong Zhang, Shuzhou Sun, Ben Gao, Tianfan Fu, Biqing Qi, Yuqiang Li
2025	J	`jnl`	PoseX: AI Defeats Physics Approaches on Protein-Ligand Cross Docking. CoRR Yize Jiang, Xinze Li, Yuanyuan Zhang, Jin Han, Youjun Xu, Ayush Pandit, Zaixi Zhang, Mengdi Wang, Mengyang Wang, Chong Liu, Guang Yang, Yejin Choi, Wu-Jun Li, Tianfan Fu, Fang Wu, Junhong Liu
2025	J	`jnl`	Position: Intelligent Science Laboratory Requires the Integration of Cognitive and Embodied AI. CoRR Sha Zhang, Suorong Yang, Tong Xie, Xiangyuan Xue, Zixuan Hu, Rui Li, Wenxi Qu, Zhenfei Yin, Tianfan Fu, Di Hu, Andres M. Bran, Nian Ran, Bram Hoex, Wangmeng Zuo, Philippe Schwaller, Wanli Ouyang, Lei Bai, Yanyong Zhang, Lingyu Duan, Shixiang Tang, Dongzhan Zhou
2025	J	`jnl`	QCBench: Evaluating Large Language Models on Domain-Specific Quantitative Chemistry. CoRR Jiaqing Xie, Weida Wang, Ben Gao, Zhuo Yang, Haiyuan Wang, Shufei Zhang, Tianfan Fu, Yuqiang Li
2025	J	`jnl`	QCBench: Evaluating Large Language Models on Domain-Specific Quantitative Chemistry. J. Chem. Inf. Model. Jiaqing Xie, Weida Wang, Ben Gao, Zhuo Yang, Haiyuan Wang, Shufei Zhang, Tianfan Fu, Yuqiang Li
2025	J	`jnl`	QCS-ADME: Quantum Circuit Search for Drug Property Prediction with Imbalanced Data and Regression Adaptation. CoRR Kangyu Zheng, Tianfan Fu, Zhiding Liang
2025	J	`jnl`	RadDiff: Retrieval-Augmented Denoising Diffusion for Protein Inverse Folding. CoRR Jin Han, Tianfan Fu, Wu-Jun Li
2025	J	`jnl`	Reasoning BO: Enhancing Bayesian Optimization with Long-Context Reasoning Power of LLMs. CoRR Zhuo Yang, Lingli Ge, Dong Han, Tianfan Fu, Yuqiang Li
2025	J	`jnl`	Reinforcement Learning for Quantum Circuit Design: Using Matrix Representations. CoRR Zhiyuan Wang, Chunlin Feng, Christopher Poon, Lijian Huang, Xingjian Zhao, Yao Ma, Tianfan Fu, Xiao-Yang Liu
2025	J	`jnl`	Scientists' First Exam: Probing Cognitive Abilities of MLLM via Perception, Understanding, and Reasoning. CoRR Yuhao Zhou, Yiheng Wang, Xuming He, Ruoyao Xiao, Zhiwei Li, Qiantai Feng, Zijie Guo, Yuejin Yang, Hao Wu, Wenxuan Huang, Jiaqi Wei, Dan Si, Xiuqi Yao, Jia Bu, Haiwen Huang, Tianfan Fu, Shixiang Tang, Ben Fei, Dongzhan Zhou, Fenghua Ling, Yan Lu, Siqi Sun, Chenhui Li, Guanjie Zheng, Jiancheng Lv, Wenlong Zhang, Lei Bai
2025	J	`jnl`	SpectrumWorld: Artificial Intelligence Foundation for Spectroscopy. CoRR Zhuo Yang, Jiaqing Xie, Shuaike Shen, Daolang Wang, Yeyun Chen, Ben Gao, Shuzhou Sun, Biqing Qi, Dongzhan Zhou, Lei Bai, Linjiang Chen, Shufei Zhang, Jun Jiang, Tianfan Fu, Yuqiang Li
2024	J	`jnl`	3D Interaction Geometric Pre-training for Molecular Relational Learning. CoRR Namkyeong Lee, Yunhak Oh, Heewoong Noh, Gyoung S. Na, Minkai Xu, Hanchen Wang, Tianfan Fu, Chanyoung Park
2024	J	`jnl`	AUTODIFF: Autoregressive Diffusion Modeling for Structure-based Drug Design. CoRR Xinze Li, Penglei Wang, Tianfan Fu, Wenhao Gao, Chengtao Li, Leilei Shi, Junhong Liu
2024	A*	`conf`	Artificial Intelligence and Data Science for Healthcare: Bridging Data-Centric AI and People-Centric Healthcare. KDD Shenda Hong, Daoxin Yin, Gongzheng Tang, Tianfan Fu, Liantao Ma, Junyi Gao, Mengling Feng, Mai Wang, Yu Yang, Fei Wang, Hongfang Liu, Luxia Zhang
2024	J	`jnl`	BioMamba: A Pre-trained Biomedical Language Representation Model Leveraging Mamba. CoRR Ling Yue, Sixue Xing, Yingzhou Lu, Tianfan Fu
2024	J	`jnl`	CT-Agent: Clinical Trial Multi-Agent with Large Language Model-based Reasoning. CoRR Ling Yue, Tianfan Fu
2024	—	`conf`	ClinicalAgent: Clinical Trial Multi-Agent System with Large Language Model-based Reasoning. BCB Ling Yue, Sixue Xing, Jintai Chen, Tianfan Fu
2024	J	`jnl`	DeepProtein: Deep Learning Library and Benchmark for Protein Sequence Learning. CoRR Jiaqing Xie, Yue Zhao, Tianfan Fu
2024	J	`jnl`	DrugAgent: Automating AI-aided Drug Discovery Programming through LLM Multi-Agent Collaboration. CoRR Sizhe Liu, Yizhou Lu, Siyu Chen, Xiyang Hu, Jieyu Zhao, Tianfan Fu, Yue Zhao
2024	J	`jnl`	DrugAgent: Explainable Drug Repurposing Agent with Large Language Model-based Reasoning. CoRR Yoshitaka Inoue, Tianci Song, Tianfan Fu
2024	J	`jnl`	FinLoRA: Finetuning Quantized Financial Large Language Models Using Low-Rank Adaptation. CoRR Dannong Wang, Daniel Kim, Bo Jin, Xingjian Zhao, Tianfan Fu, Steve Yang, Xiao-Yang Liu
2024	A*	`conf`	Graph Adversarial Diffusion Convolution. ICML Songtao Liu, Jinghui Chen, Tianfan Fu, Lu Lin, Marinka Zitnik, Dinghao Wu
2024	J	`jnl`	Graph Adversarial Diffusion Convolution. CoRR Songtao Liu, Jinghui Chen, Tianfan Fu, Lu Lin, Marinka Zitnik, Dinghao Wu
2024	J	`jnl`	Language Interaction Network for Clinical Trial Approval Estimation. CoRR Chufan Gao, Tianfan Fu, Jimeng Sun
2024	J	`jnl`	Machine learning-aided generative molecular design. Nat. Mac. Intell. Yuanqi Du, Arian R. Jamasb, Jeff Guo, Tianfan Fu, Charles Harris, Yingheng Wang, Chenru Duan, Pietro Liò, Philippe Schwaller, Tom L. Blundell
2024	J	`jnl`	Multimodal Clinical Trial Outcome Prediction with Large Language Models. CoRR Wenhao Zheng, Dongsheng Peng, Hongxia Xu, Hongtu Zhu, Tianfan Fu, Huaxiu Yao
2024	J	`jnl`	Political-LLM: Large Language Models in Political Science. CoRR Lincan Li, Jiaqi Li, Catherine Chen, Fred Gui, Hongjia Yang, Chenxiao Yu, Zhengguang Wang, Jianing Cai, Junlong Aaron Zhou, Bolin Shen, Alex Qian, Weixin Chen, Zhongkai Xue, Lichao Sun, Lifang He, Hanjie Chen, Kaize Ding, Zijian Du, Fangzhou Mu, Jiaxin Pei, Jieyu Zhao, Swabha Swayamdipta, Willie Neiswanger, Hua Wei, Xiyang Hu, Shixiang Zhu, Tianlong Chen, Yingzhou Lu, Yang Shi, Lianhui Qin, Tianfan Fu, Zhengzhong Tu, Yuzhe Yang, Jaemin Yoo, Jiaheng Zhang, Ryan A. Rossi, Liang Zhan, Liang Zhao, Emilio Ferrara, Yan Liu, Furong Huang, Xiangliang Zhang, Lawrence Rothenberg, Shuiwang Ji, Philip S. Yu, Yue Zhao, Yushun Dong
2024	J	`jnl`	Protein-Mamba: Biological Mamba Models for Protein Function Prediction. CoRR Bohao Xu, Yingzhou Lu, Yoshitaka Inoue, Namkyeong Lee, Tianfan Fu, Jintai Chen
2024	J	`jnl`	Quantum-inspired Reinforcement Learning for Synthesizable Drug Design. CoRR Dannong Wang, Jintai Chen, Zhiding Liang, Tianfan Fu, Xiao-Yang Liu
2024	J	`jnl`	Quantum-machine-assisted Drug Discovery: Survey and Perspective. CoRR Yidong Zhou, Jintai Chen, Jinglei Cheng, Gopal Karemore, Marinka Zitnik, Frederic T. Chong, Junyu Liu, Tianfan Fu, Zhiding Liang
2024	J	`jnl`	Retrieval-Reasoning Large Language Model-based Synthetic Clinical Trial Generation. CoRR Zerui Xu, Fang Wu, Tianfan Fu, Yue Zhao
2024	J	`jnl`	SMILES-Mamba: Chemical Mamba Foundation Models for Drug ADMET Prediction. CoRR Bohao Xu, Yingzhou Lu, Chenhao Li, Ling Yue, Xiao Wang, Nan Hao, Tianfan Fu, Jim Chen
2024	J	`jnl`	Structure-based Drug Design Benchmark: Do 3D Methods Really Dominate? CoRR Kangyu Zheng, Yingzhou Lu, Zaixi Zhang, Zhongwei Wan, Yao Ma, Marinka Zitnik, Tianfan Fu
2024	J	`jnl`	TrialBench: Multi-Modal Artificial Intelligence-Ready Clinical Trial Datasets. CoRR Jintai Chen, Yaojun Hu, Yue Wang, Yingzhou Lu, Xu Cao, Miao Lin, Hongxia Xu, Jian Wu, Cao Xiao, Jimeng Sun, Lucas Glass, Kexin Huang, Marinka Zitnik, Tianfan Fu
2024	—	`conf`	TrialDura: Hierarchical Attention Transformer for Interpretable Clinical Trial Duration Prediction. BCB Ling Yue, Sixue Xing, Jonathan Li, Md. Zabirul Islam, Bolun Xia, Jintai Chen, Tianfan Fu
2024	J	`jnl`	TrialDura: Hierarchical Attention Transformer for Interpretable Clinical Trial Duration Prediction. CoRR Ling Yue, Jonathan Li, Md. Zabirul Islam, Bolun Xia, Tianfan Fu, Jintai Chen
2024	—	`conf`	TrialEnroll: Predicting Clinical Trial Enrollment Success with Deep & Cross Network and Large Language Models. BCB Ling Yue, Sixue Xing, Jintai Chen, Tianfan Fu
2024	J	`jnl`	TrialEnroll: Predicting Clinical Trial Enrollment Success with Deep & Cross Network and Large Language Models. CoRR Ling Yue, Sixue Xing, Jintai Chen, Tianfan Fu
2024	J	`jnl`	drGAT: Attention-Guided Gene Assessment of Drug Response Utilizing a Drug-Cell-Gene Heterogeneous Network. CoRR Yoshitaka Inoue, Hunmin Lee, Tianfan Fu, Augustin Luna
2023	J	`jnl`	Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems. CoRR Xuan Zhang, Limei Wang, Jacob Helwig, Youzhi Luo, Cong Fu, Yaochen Xie, Meng Liu, Yuchao Lin, Zhao Xu, Keqiang Yan, Keir Adams, Maurice Weiler, Xiner Li, Tianfan Fu, Yucheng Wang, Haiyang Yu, Yuqing Xie, Xiang Fu, Alex Strasser, Shenglong Xu, Yi Liu, Yuanqi Du, Alexandra Saxton, Hongyi Ling, Hannah Lawrence, Hannes Stärk, Shurui Gui, Carl Edwards, Nicholas Gao, Adriana Ladera, Tailin Wu, Elyssa F. Hofgard, Aria Mansouri Tehrani, Rui Wang, Ameya Daigavane, Montgomery Bohde, Jerry Kurtin, Qian Huang, Tuong Phung, Minkai Xu, Chaitanya K. Joshi, Simon V. Mathis, Kamyar Azizzadenesheli, Ada Fang, Alán Aspuru-Guzik, Erik J. Bekkers, Michael M. Bronstein, Marinka Zitnik, Anima Anandkumar, Stefano Ermon, Pietro Liò, Rose Yu, Stephan Günnemann, Jure Leskovec, Heng Ji, Jimeng Sun, Regina Barzilay, Tommi S. Jaakkola, Connor W. Coley, Xiaoning Qian, Xiaofeng Qian, Tess E. Smidt, Shuiwang Ji
2023	—	`—`	Deep Generative Models for Drug Design. Tianfan Fu
2023	J	`jnl`	Molecular De Novo Design through Transformer-based Reinforcement Learning. CoRR Tao Feng, Pengcheng Xu, Tianfan Fu, Siddhartha Laghuvarapu, Jimeng Sun
2023	J	`jnl`	PyTrial: A Comprehensive Platform for Artificial Intelligence for Drug Development. CoRR Zifeng Wang, Brandon Theodorou, Tianfan Fu, Cao Xiao, Jimeng Sun
2023	J	`jnl`	Scientific discovery in the age of artificial intelligence. Nat. Hanchen Wang, Tianfan Fu, Yuanqi Du, Wenhao Gao, Kexin Huang, Ziming Liu, Payal Chandak, Shengchao Liu, Peter Van Katwyk, Andreea Deac, Anima Anandkumar, Karianne Bergen, Carla P. Gomes, Shirley Ho, Pushmeet Kohli, Joan Lasenby, Jure Leskovec, Tie-Yan Liu, Arjun K. Manrai, Debora S. Marks, Bharath Ramsundar, Le Song, Jimeng Sun, Jian Tang, Petar Velickovic, Max Welling, Linfeng Zhang, Connor W. Coley, Yoshua Bengio, Marinka Zitnik
2023	J	`jnl`	Stoichiometry Representation Learning with Polymorphic Crystal Structures. CoRR Namkyeong Lee, Heewoong Noh, Gyoung S. Na, Tianfan Fu, Jimeng Sun, Chanyoung Park
2022	A*	`conf`	Antibody Complementarity Determining Regions (CDRs) design using Constrained Energy Model. KDD Tianfan Fu, Jimeng Sun
2022	A*	`conf`	Differentiable Scaffolding Tree for Molecule Optimization. ICLR Tianfan Fu, Wenhao Gao, Cao Xiao, Jacob Yasonik, Connor W. Coley, Jimeng Sun
2022	J	`jnl`	HINT: Hierarchical interaction network for clinical-trial-outcome predictions. Patterns Tianfan Fu, Kexin Huang, Cao Xiao, Lucas M. Glass, Jimeng Sun
2022	J	`jnl`	MOLER: Incorporate Molecule-Level Reward to Enhance Deep Generative Model for Molecule Optimization. IEEE Trans. Knowl. Data Eng. Tianfan Fu, Cao Xiao, Lucas M. Glass, Jimeng Sun
2022	J	`jnl`	MolGenSurvey: A Systematic Survey in Machine Learning Models for Molecule Design. CoRR Yuanqi Du, Tianfan Fu, Jimeng Sun, Shengchao Liu
2022	A*	`conf`	Reinforced Genetic Algorithm for Structure-based Drug Design. NeurIPS Tianfan Fu, Wenhao Gao, Connor W. Coley, Jimeng Sun
2022	J	`jnl`	Reinforced Genetic Algorithm for Structure-based Drug Design. CoRR Tianfan Fu, Wenhao Gao, Connor W. Coley, Jimeng Sun
2022	A*	`conf`	SIPF: Sampling Method for Inverse Protein Folding. KDD Tianfan Fu, Jimeng Sun
2022	A*	`conf`	Sample Efficiency Matters: A Benchmark for Practical Molecular Optimization. NeurIPS Wenhao Gao, Tianfan Fu, Jimeng Sun, Connor W. Coley
2022	J	`jnl`	Sample Efficiency Matters: A Benchmark for Practical Molecular Optimization. CoRR Wenhao Gao, Tianfan Fu, Jimeng Sun, Connor W. Coley
2021	J	`jnl`	DeepPurpose: a deep learning library for drug-target interaction prediction. Bioinform. Kexin Huang, Tianfan Fu, Lucas M. Glass, Marinka Zitnik, Cao Xiao, Jimeng Sun
2021	J	`jnl`	Differentiable Scaffolding Tree for Molecular Optimization. CoRR Tianfan Fu, Wenhao Gao, Cao Xiao, Jacob Yasonik, Connor W. Coley, Jimeng Sun
2021	J	`jnl`	HINT: Hierarchical Interaction Network for Trial Outcome Prediction Leveraging Web Data. CoRR Tianfan Fu, Kexin Huang, Cao Xiao, Lucas M. Glass, Jimeng Sun
2021	A*	`conf`	MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization. AAAI Tianfan Fu, Cao Xiao, Xinhao Li, Lucas M. Glass, Jimeng Sun
2021	A*	`conf`	Probabilistic and Dynamic Molecule-Disease Interaction Modeling for Drug Discovery. KDD Tianfan Fu, Cao Xiao, Cheng Qian, Lucas M. Glass, Jimeng Sun
2021	—	`conf`	SPEAR: self-supervised post-training enhancer for molecule optimization. BCB Tianfan Fu, Cao Xiao, Kexin Huang, Lucas M. Glass, Jimeng Sun
2021	—	`conf`	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development. NeurIPS Datasets and Benchmarks Kexin Huang, Tianfan Fu, Wenhao Gao, Yue Zhao, Yusuf H. Roohani, Jure Leskovec, Connor W. Coley, Cao Xiao, Jimeng Sun, Marinka Zitnik
2021	J	`jnl`	Therapeutics Data Commons: Machine Learning Datasets and Tasks for Therapeutics. CoRR Kexin Huang, Tianfan Fu, Wenhao Gao, Yue Zhao, Yusuf H. Roohani, Jure Leskovec, Connor W. Coley, Cao Xiao, Jimeng Sun, Marinka Zitnik
2020	A*	`conf`	CORE: Automatic Molecule Optimization Using Copy & Refine Strategy. AAAI Tianfan Fu, Cao Xiao, Jimeng Sun
2020	J	`jnl`	DeepPurpose: a Deep Learning Based Drug Repurposing Toolkit. CoRR Kexin Huang, Tianfan Fu, Cao Xiao, Lucas Glass, Jimeng Sun
2020	J	`jnl`	MIMOSA: Multi-constraint Molecule Sampling for Molecule Optimization. CoRR Tianfan Fu, Cao Xiao, Xinhao Li, Lucas M. Glass, Jimeng Sun
2020	J	`jnl`	MolDesigner: Interactive Design of Efficacious Drugs with Deep Learning. CoRR Kexin Huang, Tianfan Fu, Dawood Khan, Ali Abid, Ali Abdalla, Abubakar Abid, Lucas M. Glass, Marinka Zitnik, Cao Xiao, Jimeng Sun
2020	—	`conf`	α-MOP: Molecule optimization with α-divergence. BIBM Tianfan Fu, Cao Xiao, Lucas M. Glass, Jimeng Sun
2019	J	`jnl`	CORE: Automatic Molecule Optimization Using Copy & Refine Strategy. CoRR Tianfan Fu, Cao Xiao, Jimeng Sun
2019	A*	`conf`	DDL: Deep Dictionary Learning for Predictive Phenotyping. IJCAI Tianfan Fu, Trong Nghia Hoang, Cao Xiao, Jimeng Sun
2019	—	`conf`	PEARL: Prototype Learning via Rule Learning. BCB Tianfan Fu, Tian Gao, Cao Xiao, Tengfei Ma, Jimeng Sun
2019	—	`conf`	PEARL: Prototype Learning via Rule Learning. BCB Tianfan Fu, Tian Gao, Cao Xiao, Tengfei Ma, Jimeng Sun
2018	B	`conf`	Continuous Word Embedding Fusion via Spectral Decomposition. CoNLL Tianfan Fu, Cheng Zhang, Stephan Mandt
2017	A	`conf`	CPSG-MCMC: Clustering-Based Preprocessing method for Stochastic Gradient MCMC. AISTATS Tianfan Fu, Zhihua Zhang
2016	J	`jnl`	Feature sparsity analysis for i-vector based speaker verification. Speech Commun. Wei Li, Tianfan Fu, Hanxu You, Jie Zhu, Ning Chen
2016	A	`conf`	Quasi-Newton Hamiltonian Monte Carlo. UAI Tianfan Fu, Luo Luo, Zhihua Zhang
2015	J	`jnl`	An improved i-vector extraction algorithm for speaker verification. EURASIP J. Audio Speech Music. Process. Wei Li, Tianfan Fu, Jie Zhu
2015	J	`jnl`	Deep feature for text-dependent speaker verification. Speech Commun. Yuan Liu, Yanmin Qian, Nanxin Chen, Tianfan Fu, Ya Zhang, Kai Yu
2015	—	`conf`	Sparsity Analysis and Compensation for i-Vector Based Speaker Verification. SPECOM Wei Li, Tianfan Fu, Jie Zhu, Ning Chen
2014	B	`conf`	Speaker verification with deep features. IJCNN Yuan Liu, Tianfan Fu, Yuchen Fan, Yanmin Qian, Kai Yu
2014	Misc	`conf`	Stochastic data sweeping for fast DNN training. ICASSP Wei Deng, Yanmin Qian, Yuchen Fan, Tianfan Fu, Kai Yu
2014	A	`conf`	Tandem deep features for text-dependent speaker verification. INTERSPEECH Tianfan Fu, Yanmin Qian, Yuan Liu, Kai Yu