From the 2 of 3 linked papers with an AI index.
3 papers
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…
Using superpixels for interpretable feature reduction in large 2D diffraction datasets
Andreas Werbrouck, Nikhila C. Paranamana, Andrew C. Meng +2
The paper introduces a superpixel-based method to reduce and interpret large 2D diffraction datasets by adaptively grouping pixels, compares clustering approaches, and demonstrates…
LLM Agents for Knowledge Discovery in Atomic Layer Processing
Andreas Werbrouck, Marshall B. Lindsay, Matthew Maschmann +1
Large Language Models (LLMs) have garnered significant attention for several years now. Recently, their use as independently reasoning agents has been proposed. In this work, we te…