Xuefeng Liu

@article{liu2026leveraging,
  title = {Leveraging Active Reinforcement Learning and Generative Models for Biomolecular Design},
  author = {Liu, Xuefeng},
  journal = {University of Chicago},
  year = {2026},
  publisher = {University of Chicago}
}

@article{liu2025bidirectional,
  title = {Bidirectional Hierarchical Protein Multi-Modal Representation Learning},
  author = {Liu, Xuefeng and Jiang, Songhao and Tien, Chih-chan and Xu, Jinbo and Stevens, Rick},
  journal = {Machine Learning for Healthcare},
  year = {2025}
}

@article{liu2025scaffoldgpt,
  title = {ScaffoldGPT: A Scaffold-based GPT Model for Drug Optimization},
  author = {Liu, Xuefeng and Jiang, Songhao and Foster, Ian and Xu, Jinbo and Stevens, Rick},
  journal = {Machine Learning for Healthcare},
  year = {2025}
}

@article{liu2025fragmentgpt,
  title = {FragmentGPT: A Unified GPT Model for Fragment Growing, Linking, and Merging in Molecular Design},
  author = {Liu, Xuefeng and Jiang, Songhao and Huang, Qinan and Xu, Tinson and Foster, Ian and Wang, Mengdi and Lin, Hening and Stevens, Rick},
  journal = {NeurIPS 2025 Workshop on AI Virtual Cells and Instruments},
  year = {2025},
}

@article{liu2024contextual,
  title = {Contextual active model selection},
  author = {Liu, Xuefeng and Xia, Fangfang and Stevens, Rick and Chen, Yuxin},
  journal = {Advances in Neural Information Processing Systems},
  volume = {37},
  pages = {49914--49956},
  year = {2024}
}

@article{liu2024entropy,
  title = {Entropy-reinforced planning with large language models for drug discovery},
  author = {Liu, Xuefeng and Tien, Chih-chan and Ding, Peng and Jiang, Songhao and Stevens, Rick L},
  journal = {International Conference on Machine Learning},
  year = {2024},
}

@inproceedings{liu2023active,
  title = {Active policy improvement from multiple black-box oracles},
  author = {Liu, Xuefeng and Yoneda, Takuma and Wang, Chaoqi and Walter, Matthew and Chen, Yuxin},
  booktitle = {International Conference on Machine Learning},
  pages = {22320--22337},
  year = {2023},
  organization = {PMLR}
}

@inproceedings{liu2023drugimprover,
  title = {DRUGIMPROVER: Utilizing reinforcement learning for multi-objective alignment in drug optimization},
  author = {Liu, Xuefeng and Jiang, Songhao and Vasan, Archit and Brace, Alexander and Gokdemir, Ozan and Brettin, Thomas and Xia, Fangfang and Foster, Ian and Stevens, Rick},
  booktitle = {NeurIPS 2023 Workshop on New Frontiers of AI for Drug Discovery and Development},
  number = {3},
  pages = {8},
  year = {2023},
}

@article{liu2023blending,
  title = {Blending imitation and reinforcement learning for robust policy improvement},
  author = {Liu, Xuefeng and Yoneda, Takuma and Stevens, Rick L and Walter, Matthew R and Chen, Yuxin},
  journal = {International Conference on Learning Representations},
  year = {2023},
}