Author

Tong-yi Zhang

3 papers indexed here

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#artificial intelligence May 2026

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

Multiphase powder X-ray diffraction (PXRD) analysis remains a fundamental bottleneck in structure identification, as real-world synthesis often produces complex mixtures whose constituent phases (components) cannot be reliably disentangled. While recent advances in representation-based crystal retrieval and generation...

Han-Yu Gao, Bin Cao, Yun-Yue Su et al. · arXiv.org · 2 citations · ⚡1

#artificial intelligence Preprint Oct 2026

A self-learning scientific agent for X-ray diffraction

Gan Jiang, a self-learning agent for powder X-ray diffraction built on a diffraction-analysis ecosystem the authors developed: XMatcher, XQueryer, XDecomposer and WPEM, demonstrates how an integrated scientific tool ecosystem can support agents that extract structural knowledge from measurements while accumulating vali...

Bin Cao, Hui-Chi Zhou, Ru-Yun Yang et al. · 0 citations

Open access Jul 2026

CLRe: A Synergistic Dual‐Engine Framework for One‐Step Retrosynthesis Prediction

A label‐free contrastive metric that quantifies intrinsic molecular complexity to optimize training pacing and adapt label smoothing to act as a topological buffer, which preserves the search entropy required for complex multi‐path chemical reasoning.

Tian-Hao Su, Xi-Tao Wang, Mu-Sen Li et al. · Advancement of science · 0 citations