Fu, Tianfan
- Therapeutics Data Commons: Machine Learning Datasets and Tasks for Drug Discovery and Development
2021/02/18 by Kexin Huang, Tianfan Fu, Huang, Kexin +17 · 31 citations
Computer Science · Engineering · Materials Science · #Biomolecules (q-bio.BM) #Computational Drug Discovery Methods #Computers and Society (cs.CY) #FOS: Biological sciences #FOS: Computer and information sciences #Innovative Microfluidic and Catalytic Techniques Innovation #Machine Learning (cs.LG) #Machine Learning in Materials Science #Quantitative Methods (q-bio.QM)
- Machine Learning for Synthetic Data Generation: A Review
2023/02/08 by Lu, Yingzhou, Chen, Lulu, Zhang, Yuanyuan +6 · 23 citations
#FOS: Computer and information sciences #Machine Learning (cs.LG)
- Sample Efficiency Matters: A Benchmark for Practical Molecular Optimization
2022/06/22 by Gao, Wenhao, Fu, Tianfan, Sun, Jimeng +1 · 17 citations
#Biomolecules (q-bio.BM) #Computational Engineering #FOS: Biological sciences #FOS: Computer and information sciences #Finance #and Science (cs.CE)
- Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
2023/07/17 by Xuan Zhang, Limei Wang, Zhang, Xuan +123 · 1 voice · 17 citations
#cs.LG #physics.comp-ph
- ClinicalAgent: Clinical Trial Multi-Agent System with Large Language Model-based Reasoning
2024/04/23 by Ling Yue, Yue, Ling, Xing, Sixue +2 · 10 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · #Biomedical Text Mining and Ontologies #Topic Modeling
- Political-LLM: Large Language Models in Political Science
2024/12/09 by Li, Lincan, Li, Jiaqi, Chen, Catherine +44 · 10 citations
#Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #FOS: Computer and information sciences
- A Review on Knowledge Graphs for Healthcare: Resources, Applications, and Promises
2023/06/07 by Hejie Cui, Cui, Hejie, Jiaying Lu +26 · 4 citations
Computer Science · Health Professions · #68T09 #68T30 #68T50 #Advanced Graph Neural Networks #Artificial Intelligence (cs.AI) #Artificial Intelligence in Healthcare #Computation and Language (cs.CL) #FOS: Computer and information sciences #I.2.4 #I.2.6 #I.2.7 #J.3 #Machine Learning (cs.LG) #Social and Information Networks (cs.SI)
- HINT: Hierarchical Interaction Network for Trial Outcome Prediction Leveraging Web Data
2021/02/08 by Tianfan Fu, Kexin Huang, Fu, Tianfan +7 · 3 citations
Computer Science · Biochemistry, Genetics and Molecular Biology · #Computational Drug Discovery Methods #Biomedical Text Mining and Ontologies #Topic Modeling
- TWIN-GPT: Digital Twins for Clinical Trials via Large Language Model
2024/04/01 by Wang, Yue, Fu, Tianfan, Xu, Yinlong +6 · 4 citations
#Computation and Language (cs.CL) #FOS: Computer and information sciences #Machine Learning (cs.LG) #Methodology (stat.ME)
- Reinforced Genetic Algorithm for Structure-based Drug Design
2022/11/28 by Tianfan Fu, Fu, Tianfan, Wenhao Gao +5 · 2 citations
Biochemistry, Genetics and Molecular Biology · Computer Science · #Chemical Synthesis and Analysis #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Protein Structure and Dynamics #Quantitative Methods (q-bio.QM)
- Scientists' First Exam: Probing Cognitive Abilities of MLLM via Perception, Understanding, and Reasoning
2025/06/12 by Yuhao Zhou, Yiheng Wang, Zhou, Yuhao +50 · 8 citations
Computer Science · Psychology · #Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #Educational Technology and Assessment #FOS: Computer and information sciences #Innovative Teaching and Learning Methods #Intelligent Tutoring Systems and Adaptive Learning
- Differentiable Scaffolding Tree for Molecular Optimization
2021/09/22 by Tianfan Fu, Wenhao Gao, Fu, Tianfan +9 · 1 citation
Biochemistry, Genetics and Molecular Biology · Computer Science · Materials Science · #Computational Drug Discovery Methods #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Protein Structure and Dynamics
- PoseX: AI Defeats Physics Approaches on Protein-Ligand Cross Docking
2025/05/03 by Jiang, Yize, Li, Xinze, Zhang, Yuanyuan +13 · 3 citations
#FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Quantitative Methods (q-bio.QM)
- Quantum-inspired Reinforcement Learning for Synthesizable Drug Design
2024/09/13 by Wang, Dannong, Chen, Jintai, Liang, Zhiding +2 · 2 citations
#Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG)
- A Survey of Scientific Large Language Models: From Data Foundations to Agent Frontiers
2025/08/28 by Mingjun Hu, Chenglong Ma, Hu, Ming +214 · 9 citations
Computer Science · Materials Science · Medicine · #Artificial Intelligence (cs.AI) #Artificial Intelligence in Healthcare and Education #Computation and Language (cs.CL) #FOS: Computer and information sciences #Machine Learning in Materials Science #Topic Modeling
- SMILES-Mamba: Chemical Mamba Foundation Models for Drug ADMET Prediction
2024/08/11 by Bohao Xu, Xu, Bohao, Yingzhou Lu +13 · 2 citations
Computer Science · #Computational Drug Discovery Methods #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Quantitative Methods (q-bio.QM)
- PyTrial: Machine Learning Software and Benchmark for Clinical Trial Applications
2023/06/06 by Zifeng Wang, Brandon Theodorou, Wang, Zifeng +7 · 1 citation
Mathematics · Medicine · Decision Sciences · #Statistical Methods in Clinical Trials #Artificial Intelligence in Healthcare and Education #Meta-analysis and systematic reviews
- Bi-level Contrastive Learning for Knowledge-Enhanced Molecule Representations
2023/06/02 by Jiang, Pengcheng, Xiao, Cao, Fu, Tianfan +4 · 1 citation
#Artificial Intelligence (cs.AI) #FOS: Biological sciences #FOS: Computer and information sciences #Machine Learning (cs.LG) #Quantitative Methods (q-bio.QM)
- Multimodal Clinical Trial Outcome Prediction with Large Language Models
2024/02/09 by Wenhao Zheng, Zheng, Wenhao, Wang, Liaoyaqi +10 · 1 citation
Biochemistry, Genetics and Molecular Biology · Computer Science · #Biomedical Text Mining and Ontologies #Topic Modeling #Machine Learning in Healthcare
- Compositional Representation of Polymorphic Crystalline Materials
2023/11/17 by Lee, Namkyeong, Noh, Heewoong, Na, Gyoung S. +4 · 1 citation
#FOS: Computer and information sciences #FOS: Physical sciences #Machine Learning (cs.LG) #Materials Science (cond-mat.mtrl-sci)
- ChemMLLM: Chemical Multimodal Large Language Model
2025/05/22 by Tan, Qian, Zhou, Dongzhan, Xia, Peng +5 · 4 citations
#FOS: Computer and information sciences #Machine Learning (cs.LG)
- TrialDura: Hierarchical Attention Transformer for Interpretable Clinical Trial Duration Prediction
2024/04/20 by Ling Yue, Yue, Ling, Jonathan Li +10 · 1 citation
Computer Science · #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Healthcare
- Gradient GA: Gradient Genetic Algorithm for Drug Molecular Design
2025/02/14 by Zhuang, Chris, Mukherjee, Debadyuti, Lu, Yingzhou +2 · 2 citations
#Biomolecules (q-bio.BM) #Computational Engineering #FOS: Biological sciences #FOS: Computer and information sciences #Finance #Machine Learning (cs.LG) #Machine Learning (stat.ML) #and Science (cs.CE)
- Protein-Mamba: Biological Mamba Models for Protein Function Prediction
2024/09/22 by Baisheng Xu, Yingzhou Lu, Xu, Bohao +9 · 1 citation
Biochemistry, Genetics and Molecular Biology · #Biomolecules (q-bio.BM) #FOS: Biological sciences #FOS: Computer and information sciences #Genetics, Bioinformatics, and Biomedical Research #Machine Learning (cs.LG) #Machine Learning in Bioinformatics #Quantitative Methods (q-bio.QM)
- Uncertainty Quantification on Clinical Trial Outcome Prediction
2024/01/07 by Chen, Tianyi, Lu, Yingzhou, Hao, Nan +4 · 1 citation
#FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning (stat.ML)
- TrialEnroll: Predicting Clinical Trial Enrollment Success with Deep & Cross Network and Large Language Models
2024/07/18 by Ling Yue, Sixue Xing, Yue, Ling +5 · 1 citation
Medicine · Decision Sciences · #Radiomics and Machine Learning in Medical Imaging #Meta-analysis and systematic reviews #Artificial Intelligence in Healthcare and Education
- BioMamba: A Pre-trained Biomedical Language Representation Model Leveraging Mamba
2024/08/05 by Yue, Ling, Xing, Sixue, Lu, Yingzhou +1 · 1 citation
#Computation and Language (cs.CL) #FOS: Computer and information sciences
- DrugAgent: Reliable Multi-Agent Integration of Conflicting Biomedical Evidence for Drug-Target Interaction Assessment
2024/08/23 by Yoshitaka Inoue, Inoue, Yoshitaka, Tianci Song +5 · 1 citation
Computer Science · #Artificial Intelligence (cs.AI) #Computation and Language (cs.CL) #FOS: Biological sciences #FOS: Computer and information sciences #Information Retrieval (cs.IR) #Machine Learning (cs.LG) #Quantitative Methods (q-bio.QM) #Topic Modeling
- Reasoning BO: Enhancing Bayesian Optimization with Long-Context Reasoning Power of LLMs
2025/05/19 by Zhuo Yang, Yang, Zhuo, Wang, Daolang +8 · 2 citations
Computer Science · Materials Science · #Advanced Multi-Objective Optimization Algorithms #Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #Machine Learning and Data Classification #Machine Learning in Materials Science
- Reinforcement Learning for Quantum Circuit Design: Using Matrix Representations
2025/01/27 by Wang, Zhiyuan, Feng, Chunlin, Poon, Christopher +5 · 1 citation
#Artificial Intelligence (cs.AI) #FOS: Computer and information sciences #FOS: Physical sciences #Quantum Physics (quant-ph)
- Probing Scientific General Intelligence of LLMs with Scientist-Aligned Workflows
2025/12/18 by Wanghan Xu, Yuhao Zhou, Xu, Wanghan +214 · 1 voice · 1 citation
Biochemistry, Genetics and Molecular Biology · Computer Science · Decision Sciences · #Biomedical Text Mining and Ontologies #Scientific Computing and Data Management #Topic Modeling #cs.AI #cs.CL #cs.LG
- TrialBench: Multi-Modal Artificial Intelligence-Ready Clinical Trial Datasets
2024/06/30 by Jintai Chen, Chen, Jintai, Yaojun Hu +27 · 1 citation
Computer Science · Medicine · #Artificial Intelligence (cs.AI) #Artificial Intelligence in Healthcare and Education #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Healthcare #Radiomics and Machine Learning in Medical Imaging