Photonic Quantum Computing For Polymer Classification

التفاصيل البيبلوغرافية
العنوان: Photonic Quantum Computing For Polymer Classification
المؤلفون: Stoyanova, Alexandrina, Hammadia, Taha, Ricou, Arno, Penkovsky, Bogdan
سنة النشر: 2022
المجموعة: Computer Science
Quantum Physics
مصطلحات موضوعية: Quantum Physics, Computer Science - Machine Learning, Computer Science - Neural and Evolutionary Computing
الوصف: We present a hybrid classical-quantum approach to the binary classification of polymer structures. Two polymer classes visual (VIS) and near-infrared (NIR) are defined based on the size of the polymer gaps. The hybrid approach combines one of the three methods, Gaussian Kernel Method, Quantum-Enhanced Random Kitchen Sinks or Variational Quantum Classifier, implemented by linear quantum photonic circuits (LQPCs), with a classical deep neural network (DNN) feature extractor. The latter extracts from the classical data information about samples chemical structure. It also reduces the data dimensions yielding compact 2-dimensional data vectors that are then fed to the LQPCs. We adopt the photonic-based data-embedding scheme, proposed by Gan et al. [EPJ Quantum Technol. 9, 16 (2022)] to embed the classical 2-dimensional data vectors into the higher-dimensional Fock space. This hybrid classical-quantum strategy permits to obtain accurate noisy intermediate-scale quantum-compatible classifiers by leveraging Fock states with only a few photons. The models obtained using either of the three hybrid methods successfully classified the VIS and NIR polymers. Their accuracy is comparable as measured by their scores ranging from 0.86 to 0.88. These findings demonstrate that our hybrid approach that uses photonic quantum computing captures chemistry and structure-property correlation patterns in real polymer data. They also open up perspectives of employing quantum computing to complex chemical structures when a larger number of logical qubits is available.
نوع الوثيقة: Working Paper
URL الوصول: http://arxiv.org/abs/2211.12207
رقم الأكسشن: edsarx.2211.12207
قاعدة البيانات: arXiv