Author

Zhi-Sheng Qi

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#machine learning Preprint Oct 2026

MolP2SBench: Do LLMs Really Reason from Molecular Properties to Structure?

Large language models (LLMs) are increasingly used in molecular discovery and structure elucidation, where decisions depend on physical observations. Existing evaluations primarily focus on end-to-end molecular reconstruction, where correct predictions do not necessarily indicate reliance on the supplied properties. We...

Yu-Han Xie, Zhiyi Shi, Ze-Yi Zhang et al. · 0 citations

#machine learning Preprint Oct 2026

Towards Explainable Benchmarking for Data-driven Post-Wildfire Debris Flow Prediction

Post-wildfire debris flows (PFDFs) are destructive sediment-laden hazards triggered when intense rainfall strikes recently burned terrain, destabilizing hillslopes and threatening infrastructure, local economies, and community safety. Data-driven methods have been proposed to learn predictive patterns directly from his...

Zhi-Sheng Qi, Li Zhu, Utkarsh Sahu et al. · 0 citations