Qronecker: A Certifiable Kronecker Compression Primitive for Quantum-Chemistry Hamiltonians
Abstract
Processing qubit Hamiltonians derived from electronic-structure problems can become classically prohibitive because many downstream manipulations still rely on dense operator constructions whose cost grows exponentially with qubit number. We introduce Qronecker, a cut-aware low-rank Kronecker decomposition algorithm that turns Hamiltonian compression into a certifiable, resource-aware decision primitive. Operating entirely in Pauli coefficient space, Qronecker avoids forming dense 2^n x 2^n matrices, constructs low-rank Kronecker approximations under a chosen bipartition, and returns both an instance-specific compressibility curve and a state-independent worst-case energy certificate that links rank and cut choices to conservative energy-deviation bounds. Across molecular benchmarks comprising hundreds of systems up to 30 qubits, we find that traceless low-rank structure is common but heterogeneous: many screened systems reach high coefficient-space fidelity at low rank, yielding large savings in classical preprocessing and conditional reductions in downstream circuit-resource proxies, while the certificate remains valid but conservative on the auditable subset. The same analysis shows that fixed global fidelity targets are not generally sufficient for chemistry-level guarantees, motivating adaptive rank and cut selection. These results position Qronecker as a certifiable compression primitive for rank and cut selection in quantum-chemistry Hamiltonian processing.
Keywords
Cite
@article{arxiv.2603.06963,
title = {Qronecker: A Certifiable Kronecker Compression Primitive for Quantum-Chemistry Hamiltonians},
author = {Yuqi Zhang and Sixu Chen and Feixiong Cheng and Qiang Guan},
journal= {arXiv preprint arXiv:2603.06963},
year = {2026}
}
Comments
23 pages, 9 figures, 4 tables, including appendix