{"title":"Maximal Entropy Formalism and the Restricted Boltzmann Machine.","authors":"Vinit Singh, Rishabh Gupta, Manas Sajjan, Francoise Remacle, Raphael D Levine, Sabre Kais","doi":"10.1021/acs.jpca.5c02349","DOIUrl":null,"url":null,"abstract":"<p><p>The connection between the maximum entropy (MaxEnt) formalism and restricted Boltzmann machines (RBMs) is natural as both give rise to a Boltzmann-like distribution with constraints enforced by Lagrange multipliers, which correspond to RBM parameters. We integrate RBMs into quantum state tomography by using them as probabilistic models to approximate quantum states while satisfying MaxEnt constraints. Additionally, we employ polynomially efficient quantum sampling techniques to enhance RBM training, enabling scalable and high-fidelity quantum state reconstruction. This approach provides a computationally efficient framework for applying RBMs to MaxEnt-based quantum tomography. Furthermore, our method applies to the general and previously unaddressed case of reconstructing arbitrary mixed quantum states from incomplete and potentially noncommuting sets of expectations of observables while still ensuring maximal entropy.</p>","PeriodicalId":59,"journal":{"name":"The Journal of Physical Chemistry A","volume":" ","pages":"5405-5414"},"PeriodicalIF":2.8000,"publicationDate":"2025-06-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Physical Chemistry A","FirstCategoryId":"1","ListUrlMain":"https://doi.org/10.1021/acs.jpca.5c02349","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"2025/6/10 0:00:00","PubModel":"Epub","JCR":"Q3","JCRName":"CHEMISTRY, PHYSICAL","Score":null,"Total":0}
引用次数: 0
Abstract
The connection between the maximum entropy (MaxEnt) formalism and restricted Boltzmann machines (RBMs) is natural as both give rise to a Boltzmann-like distribution with constraints enforced by Lagrange multipliers, which correspond to RBM parameters. We integrate RBMs into quantum state tomography by using them as probabilistic models to approximate quantum states while satisfying MaxEnt constraints. Additionally, we employ polynomially efficient quantum sampling techniques to enhance RBM training, enabling scalable and high-fidelity quantum state reconstruction. This approach provides a computationally efficient framework for applying RBMs to MaxEnt-based quantum tomography. Furthermore, our method applies to the general and previously unaddressed case of reconstructing arbitrary mixed quantum states from incomplete and potentially noncommuting sets of expectations of observables while still ensuring maximal entropy.
期刊介绍:
The Journal of Physical Chemistry A is devoted to reporting new and original experimental and theoretical basic research of interest to physical chemists, biophysical chemists, and chemical physicists.