most citedSpectraLLM: Uncovering the Ability of LLMs for Molecular Structure Elucidation from Multi-Spectral Data

3 citations · 3 across the 2 of their papers we have counts for

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cs.AI2026

XDecomposer: Learning Prior-Free Set Decomposition for Multiphase X-ray Diffraction

Hanyu Gao, Bin Cao, Yunyue Su +2

Multiphase powder X-ray diffraction (PXRD) analysis remains a fundamental bottleneck in structure identification, as real-world synthesis often produces complex mixtures whose cons…

cs.AI2026

ToolWeaver: Weaving Collaborative Semantics for Scalable Tool Use in Large Language Models

Bowen Fang, Wen Ye, Yunyue Su +8

Prevalent retrieval-based tool-use pipelines struggle with a dual semantic challenge: their retrievers often employ encoders that fail to capture complex semantics, while the Large…