Tianfan Fu
- Scientific discovery in the age of artificial intelligence
2023/08/02 by Hanchen Wang, Tianfan Fu, Yuanqi Du +32 · 95 citations
Biochemistry, Genetics and Molecular Biology · Materials Science · #Cell Image Analysis Techniques #Genetics, Bioinformatics, and Biomedical Research #Machine Learning in Materials Science
- 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)
- Artificial Intelligence for Science in Quantum, Atomistic, and Continuum Systems
2023/07/17 by Xuan Zhang, Zhang, Xuan, Limei Wang +123 · 1 voice · 17 citations
#cs.LG #physics.comp-ph
- 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
- Reinforced Genetic Algorithm for Structure-based Drug Design
2022/11/28 by Tianfan Fu, Wenhao Gao, Fu, Tianfan +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
- SMILES-Mamba: Chemical Mamba Foundation Models for Drug ADMET Prediction
2024/08/11 by Bohao Xu, Yingzhou Lu, Xu, Bohao +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, Wang, Zifeng, Brandon Theodorou +7 · 1 citation
Mathematics · Medicine · Decision Sciences · #Statistical Methods in Clinical Trials #Artificial Intelligence in Healthcare and Education #Meta-analysis and systematic reviews
- 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
- ChemMLLM: Chemical Multimodal Large Language Model
2025/05/22 by Qian Tan, Tan, Qian, Dongzhan Zhou +13 · 4 citations
Computer Science · Materials Science · #Computational Drug Discovery Methods #FOS: Computer and information sciences #Machine Learning (cs.LG) #Machine Learning in Materials Science #Topic Modeling
- 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
- Protein-Mamba: Biological Mamba Models for Protein Function Prediction
2024/09/22 by Baisheng Xu, Xu, Bohao, Yingzhou Lu +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)
- 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
- Reasoning BO: Enhancing Bayesian Optimization with Long-Context Reasoning Power of LLMs
2025/05/19 by Zhuo Yang, Yang, Zhuo, Lixin Ge +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
- 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
- ABOPD: Antibody CDR Design via On-Policy Distillation
2026/07/21 by Zhuo Yang, Jiaying He, Jiaqing Xie +5
#cs.LG #cs.AI