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arXiv:2002.02818

Nonparametric Regression Quantum Neural Networks

Do Ngoc Diep, Koji Nagata, Tadao Nakamura

Published Feb 7, 2020• 2 citations
arXivHTMLPDF

Abstract

In two pervious papers \cite{dndiep3}, \cite{dndiep4}, the first author constructed the least square quantum neural networks (LS-QNN), and ploynomial interpolation quantum neural networks ( PI-QNN), parametrico-stattistical QNN like: leanr regrassion quantum neural networks (LR-QNN), polynomial regression quantum neural networks (PR-QNN), chi-squared quantum neural netowrks ($χ^2$-QNN). We observed that the method works also in the cases by using nonparametric statistics. In this paper we analyze and implement the nonparametric tests on QNN such as: linear nonparametric regression quantum neural networks (LNR-QNN), polynomial nonparametric regression quantum neural networks (PNR-QNN). The implementation is constructed through the Gauss-Jordan Elimination quantum neural networks (GJE-QNN).The training rule is to use the high probability confidence regions or intervals.

DOI
10.48550/arxiv.2002.02818

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In two pervious papers \cite{dndiep3}, \cite{dndiep4}, the first author constructed the least square quantum neural networks (LS-QNN), and ploynomial interpolation quantum neural networks ( PI-QNN), parametrico-stattistical QNN like: leanr regrassion quantum neural networks (LR-QNN), polynomial regression quantum neural networks (PR-QNN), chi-squared quantum neural netowrks (χ2χ^2χ2-QNN). We observed that the method works also in the cases by using nonparametric statistics. In this paper we analyze and implement the nonparametric tests on QNN such as: linear nonparametric regression quantum neural networks (LNR-QNN), polynomial nonparametric regression quantum neural networks (PNR-QNN). The implementation is constructed through the Gauss-Jordan Elimination quantum neural networks (GJE-QNN).The training rule is to use the high probability confidence regions or intervals.
Some basic quantum neural networks were analyzed and constructed in the recent work of the author \cite{dndiep3}, published in International Journal of Theoretical Physics (2020). In particular the Least Quare Problem (LSP) and the Linear Regression Problem (LRP) was discussed. In this second paper we continue to analyze and construct the least square quantum neural network (LS-QNN), the polynomial interpolation quantum neural network (PI-QNN), the polynomial regression quantum neural network (PR-QNN) and chi-squared quantum neural network (χ2χ^2χ2-QNN). We use the corresponding solution or tests as the threshold for the corresponding training rules.
The development of quantum neural networks (QNNs) has attracted considerable attention due to their potential to surpass classical models in certain machine learning tasks. Nonetheless, it remains unclear under which conditions QNNs provide concrete benefits over classical neural networks (CNNs). This study addresses this question by performing both qualitative and quantitative analyses of classical and quantum models applied to regression problems, using two target functions with contrasting properties. Additionally, the work explores the methodological difficulties inherent in making fair comparisons between QNNs and CNNs. The findings reveal a distinct advantage of QNNs in a specific quantum machine learning context. In particular, QNNs excelled at approximating the sinusoidal function, achieving errors up to seven orders of magnitude lower than their classical counterparts. However, their performance was limited in other cases, emphasizing that QNNs are highly effective for certain tasks but not universally superior. These results reinforce the principles of the “No Free Lunch” theorem, highlighting that no single model outperforms all others across every problem domain.
The development of quantum neural networks (QNNs) has attracted considerable attention due to their potential to surpass classical models in certain machine learning tasks. Nonetheless, it remains unclear under which conditions QNNs provide concrete benefits over classical neural networks (CNNs). This study addresses this question by performing both qualitative and quantitative analyses of classical and quantum models applied to regression problems, using two target functions with contrasting properties. Additionally, the work explores the methodological difficulties inherent in making fair comparisons between QNNs and CNNs. The findings reveal a distinct advantage of QNNs in a specific quantum machine learning context. In particular, QNNs excelled at approximating the sinusoidal function, achieving errors up to seven orders of magnitude lower than their classical counterparts. However, their performance was limited in other cases, emphasizing that QNNs are highly effective for certain tasks but not universally sPuperior. These results reinforce the principles of the ``No Free Lunch'' theorem, highlighting that no single model outperforms all others across every problem domain.
The performance of quantum neural network models depends strongly on architectural decisions, including circuit depth, placement of parametrized operations, and data-encoding strategies. Selecting an effective architecture is challenging and closely related to the classical difficulty of choosing suitable neural-network topologies, which is computationally hard. This work investigates automated quantum-circuit construction for regression tasks and introduces a genetic-algorithm framework that discovers Reduced Regressor QNN architectures. The approach explores depth, parametrized gate configurations, and flexible data re-uploading patterns, formulating the construction of quantum regressors as an optimization process. The discovered circuits are evaluated against seventeen classical regression models on twenty-two nonlinear benchmark functions and four analytical functions. Although classical methods often achieve comparable results, they typically require far more parameters, whereas the evolved quantum models remain compact while providing competitive performance. We further analyze dataset complexity using twelve structural descriptors and show, across five increasingly challenging meta-learning scenarios, that these measures can reliably predict which quantum architecture will perform best. The results demonstrate perfect or near-perfect predictive accuracy in several scenarios, indicating that complexity metrics offer powerful and compact representations of dataset structure and can effectively guide automated model selection. Overall, this study provides a principled basis for meta-learning-driven quantum architecture design and advances the understanding of how quantum models behave in regression settings--a topic that has received limited exploration in prior work. These findings pave the way for more systematic and theoretically grounded approaches to quantum regression.
A quantum neural network (QNN) is a parameterized mapping efficiently implementable on near-term Noisy Intermediate-Scale Quantum (NISQ) computers. It can be used for supervised learning when combined with classical gradient-based optimizers. Despite the existing empirical and theoretical investigations, the convergence of QNN training is not fully understood. Inspired by the success of the neural tangent kernels (NTKs) in probing into the dynamics of classical neural networks, a recent line of works proposes to study over-parameterized QNNs by examining a quantum version of tangent kernels. In this work, we study the dynamics of QNNs and show that contrary to popular belief it is qualitatively different from that of any kernel regression: due to the unitarity of quantum operations, there is a non-negligible deviation from the tangent kernel regression derived at the random initialization. As a result of the deviation, we prove the at-most sublinear convergence for QNNs with Pauli measurements, which is beyond the explanatory power of any kernel regression dynamics. We then present the actual dynamics of QNNs in the limit of over-parameterization. The new dynamics capture the change of convergence rate during training and implies that the range of measurements is crucial to the fast QNN convergence.
Quantum neural network (QNN) models have received increasing attention owing to their strong expressibility and resistance to overfitting. It is particularly useful when the size of the training data is small, making it a good fit for materials informatics (MI) problems. However, there are only a few examples of the application of QNN to multivariate regression models, and little is known about how these models are constructed. This study aims to construct a QNN model to predict the melting points of metal oxides as an example of a multivariate regression task for the MI problem. Different architectures (encoding methods and entangler arrangements) are explored to create an effective QNN model. Shallow-depth ansatzs could achieve sufficient expressibility using sufficiently entangled circuits. The "linear" entangler was adequate for providing the necessary entanglement. The expressibility of the QNN model could be further improved by increasing the circuit width. The generalization performance could also be improved, outperforming the classical NN model. No overfitting was observed in the QNN models with a well-designed encoder. These findings suggest that QNN can be a useful tool for MI.