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Exploring polymer classification with a hybrid single-photon quantum approach

Alexandrina Stoyanova, Bogdan Penkovsky
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Researchers Alexandrina Stoyanova and Bogdan Penkovsky developed a hybrid quantum-classical approach to classify polymers by their optical gaps, addressing limitations in conventional computational chemistry methods. The system combines a classical deep neural network for polymer featurization with a single-photon quantum classifier, leveraging photonic quantum computing’s native advantages for NISQ-era applications. Proof-of-concept tests on Quandela’s Ascella quantum processor matched performance with noisy CPU simulations, validating the workflow’s practicality under current hardware constraints. This study demonstrates that chemistry-related classification tasks can be executed on today’s NISQ devices, countering skepticism about their near-term utility in materials science. The findings suggest hybrid quantum-classical pipelines may accelerate polymer research by extracting structure-property relationships more efficiently than classical methods alone.
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Quantum Physics arXiv:2512.18125 (quant-ph) [Submitted on 19 Dec 2025] Title:Exploring polymer classification with a hybrid single-photon quantum approach Authors:Alexandrina Stoyanova, Bogdan Penkovsky View a PDF of the paper titled Exploring polymer classification with a hybrid single-photon quantum approach, by Alexandrina Stoyanova and Bogdan Penkovsky View PDF HTML (experimental) Abstract:Polymers exhibit complex architectures and diverse properties that place them at the center of contemporary research in chemistry and materials science. As conventional computational techniques, even multi-scale ones, struggle to capture this complexity, quantum computing offers a promising alternative framework for extracting structure-property relationships. Noisy Intermediate-Scale Quantum (NISQ) devices are commonly used to explore the implementation of algorithms, including quantum neural networks for classification tasks, despite ongoing debate regarding their practical impact. We present a hybrid classical-quantum formalism that couples a classical deep neural network for polymer featurization with a single-photon-based quantum classifier native to photonic quantum computing. This pipeline successfully classifies polymer species by their optical gap, with performance in line between CPU-based noisy simulations and a proof-of-principle run on Quandela's Ascella quantum processor. These findings demonstrate the effectiveness of the proposed computational workflow and indicate that chemistryfrelated classification tasks can already be tackled under the constraints of today's NISQ devices. Subjects: Quantum Physics (quant-ph); Machine Learning (cs.LG) Cite as: arXiv:2512.18125 [quant-ph] (or arXiv:2512.18125v1 [quant-ph] for this version) https://doi.org/10.48550/arXiv.2512.18125 Focus to learn more arXiv-issued DOI via DataCite (pending registration) Submission history From: Bogdan Penkovsky [view email] [v1] Fri, 19 Dec 2025 23:06:38 UTC (3,006 KB) Full-text links: Access Paper: View a PDF of the paper titled Exploring polymer classification with a hybrid single-photon quantum approach, by Alexandrina Stoyanova and Bogdan PenkovskyView PDFHTML (experimental)TeX Source view license Current browse context: quant-ph new | recent | 2025-12 Change to browse by: cs cs.LG References & Citations INSPIRE HEP NASA ADSGoogle Scholar Semantic Scholar export BibTeX citation Loading... BibTeX formatted citation × loading... Data provided by: Bookmark Bibliographic Tools Bibliographic and Citation Tools Bibliographic Explorer Toggle Bibliographic Explorer (What is the Explorer?) Connected Papers Toggle Connected Papers (What is Connected Papers?) Litmaps Toggle Litmaps (What is Litmaps?) scite.ai Toggle scite Smart Citations (What are Smart Citations?) Code, Data, Media Code, Data and Media Associated with this Article alphaXiv Toggle alphaXiv (What is alphaXiv?) Links to Code Toggle CatalyzeX Code Finder for Papers (What is CatalyzeX?) DagsHub Toggle DagsHub (What is DagsHub?) GotitPub Toggle Gotit.pub (What is GotitPub?) Huggingface Toggle Hugging Face (What is Huggingface?) Links to Code Toggle Papers with Code (What is Papers with Code?) ScienceCast Toggle ScienceCast (What is ScienceCast?) Demos Demos Replicate Toggle Replicate (What is Replicate?) Spaces Toggle Hugging Face Spaces (What is Spaces?) Spaces Toggle TXYZ.AI (What is TXYZ.AI?) Related Papers Recommenders and Search Tools Link to Influence Flower Influence Flower (What are Influence Flowers?) Core recommender toggle CORE Recommender (What is CORE?) Author Venue Institution Topic About arXivLabs arXivLabs: experimental projects with community collaborators arXivLabs is a framework that allows collaborators to develop and share new arXiv features directly on our website. Both individuals and organizations that work with arXivLabs have embraced and accepted our values of openness, community, excellence, and user data privacy. arXiv is committed to these values and only works with partners that adhere to them. Have an idea for a project that will add value for arXiv's community? Learn more about arXivLabs. Which authors of this paper are endorsers? | Disable MathJax (What is MathJax?)

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