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Computing canonical averages with quantum and classical optimizers: Thermodynamic reweighting for QUBO models of physical systems

Slongo F.
•
Micheletti C.
2025
  • journal article

Periodico
PHYSICAL REVIEW RESEARCH
Abstract
We present a general method to compute canonical averages for physical models sampled via quantum or classical quadratic unconstrained binary optimization (QUBO). First, we introduce a histogram reweighting scheme applicable to QUBO-based sampling constrained to specific intervals of an order parameter, e.g., physical energy. Next, we demonstrate that the scheme can accurately recover the density of states, which in turn allows for calculating expectation values in the conjugate ensemble, e.g., at a fixed temperature. The method can thus be used to advance the state-of-the-art characterization of physical systems that admit a QUBO-based representation and that are otherwise intractable with real-space sampling methods. A case in point are space-filling melts of lattice ring polymers, recently mapped in QUBO form, for which our method reveals that the ring catenation probability is nonmonotonic with the bending rigidity.
DOI
10.1103/PhysRevResearch.7.023116
WOS
WOS:001487725300003
Archivio
https://hdl.handle.net/20.500.11767/147510
info:eu-repo/semantics/altIdentifier/scopus/2-s2.0-105004672828
https://journals.aps.org/prresearch/abstract/10.1103/PhysRevResearch.7.023116
https://arxiv.org/abs/2504.07094
https://ricerca.unityfvg.it/handle/20.500.11767/147510
Diritti
open access
license:creative commons
license uri:http://creativecommons.org/licenses/by/4.0/
Soggetti
  • QUBO Reweighting Cano...

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