Songtao Liu

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[Google Scholar] [Github]
Email: skl5761@psu.edu

Hi, this is Songtao. I’m currently a fourth-year Ph.D. candidate advised by Prof. Peng Liu at Penn State. I obtained my B.S. from Fudan University. My research focuses on machine learning, generative modeling, and large language models. I intern/interned at Tencent AI Lab and Amazon.

Selected Publications and Preprints

• SDDBench: A Benchmark for Synthesizable Drug Design
  Songtao Liu, Zhengkai Tu, Hanjun Dai, Peng Liu
  arXiv, 2024
  [arXiv] [Code]

• Preference Optimization for Molecule Synthesis with Conditional Residual Energy-based Models
  Songtao Liu, Hanjun Dai, Yue Zhao, Peng Liu
  International Conference on Machine Learning (ICML), 2024
  Oral Presentation [144/9473]
  [arXiv] [Code]

• Graph Adversarial Diffusion Convolution
  Songtao Liu, Jinghui Chen, Tianfan Fu, Lu Lin, Marinka Zitnik, Dinghao Wu
  International Conference on Machine Learning (ICML), 2024
  [arXiv] [Code]

• 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]

• 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/Journal Reviewer: ICML 2022/2024, NeurIPS 2022/2023/2024, ICLR 2024/2025, AISTATS 2024, TMLR