3 papers
cs.LG2026
Implementations of Quantum and Classical Topology-Aligned Architectures for Molecular Property Prediction
James T. Pegg, Hubert Okadome Valencia, Ronin Wu
For low-data and resource-constrained regimes typical of quantum chemistry, parameter-efficient learning is a key objective. Here, we propose a topology-aligned inductive bias in w…
quant-ph2025
First and second quantized digital quantum simulations of bosonic systems
Mathias Mikkelsen, Hubert Okadome Valencia
We compare the basic resource requirements for first and second quantized bosonic mappings in a system consisting of particles in modes. In addition to the standard binary…
quant-ph2025
QCA-MolGAN: Quantum Circuit Associative Molecular GAN with Multi-Agent Reinforcement Learning
Aaron Mark Thomas, Yu-Cheng Chen, Hubert Okadome Valencia +2
Navigating the vast chemical space of molecular structures to design novel drug molecules with desired target properties remains a central challenge in drug discovery. Recent advan…