Longtao Hu — accepted AI-conference papers

2026

Can Molecular Evolution Mechanism Enhance Molecular Representation?

Kun Li, Longtao Hu, Jiameng Chen, Hongzhi Zhang, Yida Xiong, Xiantao Cai +2

AAAI 2026technical

Molecular evolution is the process of simulating the natural evolution of molecules in chemical space to explore potential molecular structures and properties. The relationships between similar molecules are often described through transformations such as adding, deleting, and modifying atoms and ch

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2026

PCEvo: Path-Consistent Molecular Representation via Virtual Evolutionary

Kun Li, Longtao Hu, Jiajun Yu, Yida Xiong, Hongzhi Zhang, Jiameng Chen +3

IJCAI 2026

Molecular representation learning aims to learn vector embeddings that capture molecular structure and geometry, thereby enabling property prediction and downstream scientific applications. In many AI for science tasks, labeled data are expensive to obtain and therefore limited in availability. Unde

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