publications

* denotes equal contribution. † denotes corresponding author.

2026

  1. AAAI 2026
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    RTMol: Rethinking Molecule-text Alignment in a Round-trip View
    Letian Chen*, Runhan Shi*, Gufeng Yu, and Yang Yang†
    In Proceedings of the AAAI Conference on Artificial Intelligence, AAAI 2026 Published Paper , 2026
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    3 Google Scholar citations
  2. Bioinformatics
    EPIC: multi-objective guided diffusion for epitope design in TCR-pMHC complexes
    Yueshan Huang*, Gufeng Yu*, Letian Chen*, Haoyang Luan, and Yang Yang
    Bioinformatics, 2026
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    0 Google Scholar citations
  3. ICML 2026
    EpiCoCo: De Novo Epitope Generation via MHC-Context Co-Modeling and Contrastive Affinity Guidance
    Haoyang Luan*, Gufeng Yu*, Letian Chen*, Zhenran Xiao, Yueshan Huang, and 2 more authors
    In Forty-third International Conference on Machine Learning, 2026
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    0 Google Scholar citations
  4. arXiv
    FlowLM: Few-Step Language Modeling via Diffusion-to-Flow Adaptation
    Runzhe Zhang, Letian Chen, Wenpeng Zhang, Zhouhan Lin, and Peilin Zhao
    arXiv preprint arXiv:2605.20199, 2026
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    0 Google Scholar citations
  5. ICLR 2026 Poster
    Learning Molecular Chirality via Chiral Determinant Kernels
    Runhan Shi, Zhicheng Zhang, Letian Chen, Gufeng Yu, and Yang Yang
    arXiv preprint arXiv:2602.07415, 2026
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    0 Google Scholar citations

2025

  1. NeurIPS 2025
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    Reaction Prediction via Interaction Modeling of Symmetric Difference Shingle Sets
    Runhan Shi, Letian Chen, Gufeng Yu, and Yang Yang†
    In Advances in Neural Information Processing Systems, 2025
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    0 Google Scholar citations
  2. SMC 2025
    Design RNA with Specified Secondary Structures Using CDMs
    Zhenran Xiao, Letian Chen, Yichong Li, and Yang Yang
    In 2025 IEEE International Conference on Systems, Man, and Cybernetics (SMC), 2025
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    0 Google Scholar citations
  3. ICLR 2025 Workshop
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    AtropDiff: Data-Scarce Atropisomer Generation via Multi-Task Pretrained Classifier-Guided Diffusion
    Letian Chen, Xi Wang, Gufeng Yu, Caihua Shan†, and Yang Yang†
    In ICLR 2025 Workshop on Deep Generative Model in Machine Learning: Theory, Principle and Efficacy, 2025
    ICLR 2025 DeLTa Workshop Outstanding Paper Award HTML
    3 Google Scholar citations
  4. YieldFCP: Enhancing Reaction Yield Prediction via Fine-grained Cross-modal Pre-training
    Runhan Shi, Gufeng Yu, Letian Chen, and Yang Yang†
    Artificial Intelligence Chemistry, 2025
    DOI
    6 Google Scholar citations
  5. ChiralCat: Molecular chirality classification with enhanced spatial representation using learnable queries
    Yichuan Peng, Gufeng Yu, Runhan Shi, Letian Chen, Xi Wang, and 3 more authors
    Artificial Intelligence Chemistry, 2025
    DOI
    6 Google Scholar citations

2022

  1. Data augmentation method for simulating lung lesion evolution
    KaChon Kong, LeTian Chen, ChongYu Wang, Wei He, Zeng Zhang, and 1 more author
    In 2022 IEEE International Conference on e-Business Engineering (ICEBE), 2022
    DOI
    2 Google Scholar citations