publications

2025

1. NeurIPS 2025

   Learning Repetition-Invariant Representations for Polymer Informatics

   Yihan Zhu, Gang Liu, Eric Inae, and 2 more authors

   arXiv preprint arXiv:2505.10726, 2025
2. Preprint

   MolTextNet: A Two-Million Molecule-Text Dataset for Multimodal Molecular Learning

   Yihan Zhu, Gang Liu, Eric Inae, and 1 more author

   arXiv preprint arXiv:2506.00009, 2025
3. Preprint

   Graph Diffusion Transformers are In-Context Molecular Designers

   Gang Liu, Jie Chen, Yihan Zhu, and 4 more authors

   arXiv preprint arXiv:2510.08744, 2025
4. Preprint

   Scientific Algorithm Discovery by Augmenting AlphaEvolve with Deep Research

   Gang Liu, Yihan Zhu, Jie Chen, and 1 more author

   arXiv preprint arXiv:2510.06056, 2025
5. ACS

   Modeling Polymers with Neural Networks

   Eric Inae, Yuhan Liu, Yihan Zhu, and 5 more authors

   2025

   DOI