works on
contrastive learning 1infrared spectroscopy 1mixture of experts 1molecular structure prediction 1transformer models 1

From the 1 of 1 linked paper with an AI index.

collaborators

1 paper

cs.LG2026

Data Fusion and Contrastive Alignment for Unconstrained IR Molecular Structure Elucidation

Ethan J. Mick, Campbell A. Sweet, Matthias J. Young +1

The paper introduces a modified encoder‑decoder transformer with a Mixture‑of‑Experts decoder and contrastive alignment loss to predict full molecular structures directly from infr…