Publication
MolReFlect: Towards In-Context Fine-grained Alignments between Molecules and Texts
In brief
An in-context reflection framework for precise molecule–text alignment.
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Citation
Jiatong Li, Yunqing Liu, Wei Liu, Jingdi Le, Di Zhang, Wenqi Fan, Dongzhan Zhou, Yuqiang Li, and Qing Li. (2026). MolReFlect: Towards In-Context Fine-grained Alignments between Molecules and Texts. IEEE TKDE.
About this work
MolReFlect aligns molecular substructures with phrases in their descriptions. A teacher model proposes detailed alignments, and In-Context Selective Reflection lets a student model select between the initial and revised annotations.
The student learns from these alignments through Chain-of-Thought In-Context Molecule Tuning. Experiments on ChEBI-20 evaluate the approach for molecule-caption translation.