publications

2025

1. AAAI 2026

   

   RTMol: Rethinking Molecule-text Alignment in a Round-trip View

   Letian Chen^*, Runhan Shi^*, Gufeng Yu, and Yang Yang^†

   AAAI 2026 Accepted Paper , 2025

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2. NeurIPS 2025

   

   Reaction Prediction via Interaction Modeling of Symmetric Difference Shingle Sets

   Runhan Shi, Letian Chen, Gufeng Yu, and Yang Yang^†

   In The Thirty-ninth Annual Conference on Neural Information Processing Systems, 2025

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3. ICLR 2025 Workshop

   

   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

   

   “AtropDiff: Data-Scarce Atropisomer Generation via Multi-Task Pretrained Classifier-Guided Diffusion” has been selected as the Short Paper Outstanding Paper Award Winner at the DeLTa Workshop, held in conjunction with ICLR 2025.

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

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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

   

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