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Paper · arXiv

Retrieval-guided Twin Fusion with Similarity-aware Contrast for Molecule-Text Alignment

This paper studies the problem of molecule-text alignment, which aims to project molecules and their textual descriptions into a joint latent space for downstream tasks including molecule search and molecular property prediction. Previous approaches typically combine graph structure mining with contrastive learning to enhance joint representation learning. However, they typically neglect fine-grained semantic relationships between substructures and texts, leading to suboptimal performance on downstream tasks. Towards this end, we propose a novel approach named Retrieval-guided Twin Fusion with Similarity-aware Contrast (RISEN) for molecule-text alignment. The core idea of RISEN is to cons...

AuthorsShunshun Gu, Shengqi Qiu, Hang Zhou et al.
Primary categorycs.LG
Published17 August 2026
Last updated at source17 August 2026
cs.LG
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