Scholar
Xiuyuan Hu
Google Scholar ID: 8cRupWIAAAAJ
PhD candidate at Tsinghua University
AI for Science
Machine Learning
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Citations & Impact
All-time
Citations
243
H-index
4
i10-index
3
Publications
16
Co-authors
5
list available
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Publications
5 items
CycleChemist: A Dual-Pronged Machine Learning Framework for Organic Photovoltaic Discovery
2025
Cited
0
Leveraging Reference Documents for Zero-Shot Ranking via Large Language Models
2025
Cited
0
Accelerating High-Efficiency Organic Photovoltaic Discovery via Pretrained Graph Neural Networks and Generative Reinforcement Learning
2025
Cited
0
TransDiffSBDD: Causality-Aware Multi-Modal Structure-Based Drug Design
2025
Cited
0
3DMolFormer: A Dual-channel Framework for Structure-based Drug Discovery
2025
Cited
0
Resume (English only)
Academic Achievements
First-authored paper 'ACARL' on utilizing activity cliffs in drug design accepted by Journal of Cheminformatics (Apr 2025)
First-authored paper '3DMolFormer' on structure-based drug discovery accepted by ICLR 2025 (Jan 2025)
First-authored paper 'Hamiltonian Diversity' on measuring molecular diversity accepted by Journal of Cheminformatics (Jul 2024)
Co-authored paper on gradient regularization in deep learning accepted by ICML 2024 (May 2024)
First-authored paper 'MolRL-MGPT' on de novo drug design accepted by NeurIPS 2023 (Sep 2023)
Co-authored paper on gradient norm penalization in deep learning accepted by ICML 2022 (May 2022)
Published papers at top-tier machine learning conferences including NeurIPS, ICML, ICLR, and served as reviewer for these venues
Passed Ph.D. qualifying exam in Nov 2024
Co-authors
5 total
Yang Zhao
EE Department, Tsinghua University
Guoqing Liu
Microsoft Research AI for Science
Quanming Yao
Associate Professor, EE Department, Tsinghua University
Xiaonan Wang
Tsinghua University
Xue (Steve) Liu
Fellow CAE&IEEE; Associate VPR@MBZUAI; Prof@McGill; Mila; ex-VP R&D@Samsung AI; Chair ACM SIGBED;
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