SOURCE-LINKED INTELLIGENCE
Multimodal deep learning from spectra for small-molecule structure identification: enhancing robustness with mixed-condition training
In practical molecular characterization, small-molecule structure identification benefits from complementary spectroscopic evidence, but missing, degraded, or mismatched spectra challenge multimodal models. Herein, we incorporate domain knowledge from spectroscopy and chemistry into mixed-condition training for candidate structure reranking, using a reproducible evaluation protocol and mixture-of-experts (MoE) fusion. The protocol incorporates perturbations tailored to each spectroscopic modality and chemically informed spectrum replacements to cover variations in spectral availability, qualit
Read original source ↗ Open in workspace
- recordType
- paper
- region
- Global
Evidence & attribution
- arXiv · AI, language, vision and robotics · 2026-09-13T07:39:56.000Z
First collected: 2026-09-20T12:41:04.663Z. This is not the publication date.