works on
graph neural networks 1inductive bias 1molecular property prediction 1parameter efficiency 1quantum machine learning 1

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

collaborators

1 paper

cs.LG2026

Implementations of Quantum and Classical Topology-Aligned Architectures for Molecular Property Prediction

James T. Pegg, Hubert Okadome Valencia, Ronin Wu

The paper introduces topology‑aligned architectures that map molecular bond graphs onto learnable units, implemented as a variational quantum circuit (Iso‑QGNN) and a matching clas…