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dc.contributor.authorDe Vlugt, Isaac J. S.
dc.contributor.authorIouchtchenko, Dmitri
dc.contributor.authorMerali, Ejaaz
dc.contributor.authorRoy, Pierre-Nicholas
dc.contributor.authorMelko, Roger 18:52:50 (GMT) 18:52:50 (GMT)
dc.description© 2020 American Physical Societyen
dc.description.abstractNanomolecular assemblies of C60 can be synthesized to enclose dipolar molecules. The low-temperature states of such endofullerenes are described by quantum mechanical rotors, which are candidates for quantum information devices with higher-dimensional local Hilbert spaces. The experimental exploration of endofullerene arrays comes at a time when machine learning techniques are rapidly being adopted to characterize, verify, and reconstruct quantum states from measurement data. In this paper, we develop a strategy for reconstructing the ground state of chains of dipolar rotors using restricted Boltzmann machines (RBMs) adapted to train on data from higher-dimensional Hilbert spaces. We demonstrate accurate generation of energy expectation values from an RBM trained on data in the free-rotor eigenstate basis and explore the learning resources required for various chain lengths and dipolar interaction strengths. Finally, we show evidence for fundamental limitations in the accuracy achievable by RBMs due to the difficulty in imposing symmetries in the sampling procedure. We discuss possible avenues to overcome this limitation in the future, including the further development of autoregressive models such as recurrent neural networks for the purposes of quantum state reconstruction.en
dc.description.sponsorshipRGM is supported by the Natural Sciences and Engineering Research Council of Canada (NSERC), Canada Research Chair (CRC) program, and the Perimeter Institute for Theoretical Physics || P.-N.R. (RGPIN-2016-04403) acknowledges NSERC, the Ontario Ministry of Research and Innovation (MRI), the CRC program (950-231024), the Canada Foundation for Innovation (CFI) (project No. 35232), and the Canada First Research Excellence Fund (CFREF)en
dc.publisherPhysical Review Ben
dc.subjectrestricted Boltzmann machineen
dc.subjectground state reconstructionen
dc.subjectcomputational physicsen
dc.titleReconstructing quantum molecular rotor ground statesen
dcterms.bibliographicCitationI. De Vlugt, D. Iouchtchenko, E. Merali, P.-N. Roy, and R. G. Melko. Reconstructing quantum molecular rotor ground states. Phys. Rev. B 102, 035108 (2020)en
uws.contributor.affiliation1Faculty of Scienceen
uws.contributor.affiliation2Physics and Astronomyen

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