Selected Publications
* denotes equal contribution (first, second, or senior)
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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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Graph Adversarial Diffusion Convolution
Songtao Liu, Jinghui Chen, Lu Lin, Marinka Zitnik, Dinghao Wu
International Conference on Machine Learning (ICML), 2024
[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]
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Local Augmentation for Graph Neural Networks
Songtao Liu, Rex Ying, Hanze Dong, Lanqing Li, Tingyang Xu, Yu Rong, Peilin Zhao, Junzhou Huang, Dinghao Wu
International Conference on Machine Learning (ICML), 2022
[arXiv] [Code]
Professional Services
Conference Reviewer: ICML 2022/2024/2025, NeurIPS 2022/2023/2024/2025, ICLR 2024/2025/2026