Selected Publications (* denotes equal contribution)
For a full list of publications, please see my Google Scholar.
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Multi-Head Low-Rank Attention
Songtao Liu, Hongwu Peng, Zhiwei Zhang, Zhengyu Chen, Yue Guo
International Conference on Learning Representations (ICLR), 2026
[arXiv] [Blog] [Code] [Weights&Data]
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Preference Optimization for Molecule Synthesis with Conditional Residual Energy-based Models
Songtao Liu, Hanjun Dai, Peng Liu
International Conference on Machine Learning (ICML), 2024
Oral Presentation
[arXiv] [Code]
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FusionRetro: Molecule Representation Fusion via In-Context Learning for Retrosynthetic Planning
Songtao Liu, Zhengkai Tu*, Minkai Xu*, Zuobai Zhang*, Lu Lin, Rex Ying, Jian Tang, Peilin Zhao, Dinghao Wu
International Conference on Machine Learning (ICML), 2023
[arXiv] [Code]