Quantum neural networks (QNNs), represented by parameterized quantum circuits, can be trained in the paradigm of supervised learning to map input data to predictions. Much work has focused on theoretically analyzing the expressive power of QNNs. However, in almost all literature, QNNs' expressive power is numerically validated using only simple univariate functions. We surprisingly discover that state-of-the-art QNNs with strong expressive power can have poor performance in approximating even just a simple sinusoidal function. To fill the gap, we propose four expressibility-enhancing strategies for QNNs: Sinusoidal-friendly embedding, redundant measurement, post-measurement function, and random training data. We analyze the effectiveness of these strategies via mathematical analysis and/or numerical studies including learning complex sinusoidal-based functions. Our results from comparative experiments validate that the four strategies can significantly increase the QNNs' performance in approximating complex multivariable functions and reduce the quantum circuit depth and qubits required.
Quantum neural networks (QNNs), represented by parameterized quantum circuits, can be trained in the paradigm of supervised learning to map input data to predictions. Much work has focused on theoretically analyzing the expressive power of QNNs. However, in almost all literature, QNNs' expressive power is numerically validated using only simple univariate functions. We surprisingly discover that state-of-the-art QNNs with strong expressive power can have poor performance in approximating even just a simple sinusoidal function. To fill the gap, we propose four expressibility-enhancing strategies for QNNs: Sinusoidal-friendly embedding, redundant measurement, post-measurement function, and random training data. We analyze the effectiveness of these strategies via mathematical analysis and/or numerical studies including learning complex sinusoidal-based functions. Our results from comparative experiments validate that the four strategies can significantly increase the QNNs' performance in approximating complex multivariable functions and reduce the quantum circuit depth and qubits required.
Quantum neural networks (QNNs) have emerged as a leading strategy to establish applications in machine learning, chemistry, and optimization. While the applications of QNN have been widely investigated, its theoretical foundation remains less understood. In this paper, we formulate a theoretical framework for the expressive ability of data re-uploading quantum neural networks that consist of interleaved encoding circuit blocks and trainable circuit blocks. First, we prove that single-qubit quantum neural networks can approximate any univariate function by mapping the model to a partial Fourier series. We in particular establish the exact correlations between the parameters of the trainable gates and the Fourier coefficients, resolving an open problem on the universal approximation property of QNN. Second, we discuss the limitations of single-qubit native QNNs on approximating multivariate functions by analyzing the frequency spectrum and the flexibility of Fourier coefficients. We further demonstrate the expressivity and limitations of single-qubit native QNNs via numerical experiments. We believe these results would improve our understanding of QNNs and provide a helpful guideline for designing powerful QNNs for machine learning tasks.
Quantum Neural Networks (QNNs) have gained significant attention due to their strong expressibility and potential learning. The effectiveness of QNNs is impacted by the choice of input embedding when training samples are limited. Numerous QNN architectures have been reported in the literature; however, the effects of input embedding and entanglement strategies have yet to be examined. In this study, a comprehensive investigation of different embedding techniques, such as θ = x . π / Δ and θ = a r c t a n ( x ) + π / Δ , has been used in a QNN to predict the melting point of the metal oxide, where the dataset is limited to only 70 samples. Further, multiple scaling factors ( Δ ) for each embedding with linear and circular entanglements, along with variational circuit depths, have been examined. The robustness of each embedding has been evaluated using 21 independent random parameter initialisations, while prediction performance has been statistically evaluated using R 2 and RMSE with a generalisation gap. From the results, it is observed that the embeddings such as θ = a r c t a n ( x ) + π / 4 and θ = a r c t a n ( x ) + π / 5 have been performed invariably across random initialisation and achieved superior results compared with other embeddings. Finally, the performance of the QNN has been compared with traditional machine learning algorithms, and the results show that it outperforms the others.
As a hybrid of artificial intelligence and quantum computing, quantum neural networks (QNNs) have gained significant attention as a promising application on near-term, noisy intermediate-scale quantum devices. Conventional QNNs are described by parametrized quantum circuits, which perform unitary operations and measurements on quantum states. In this Letter, we propose a novel approach to enhance the expressivity of QNNs by incorporating randomness into quantum circuits. Specifically, we introduce a random layer, which contains single-qubit gates sampled from a trainable ensemble pooling. The prediction of QNN is then represented by an ensemble average over a classical function of measurement outcomes. We prove that our approach can accurately approximate arbitrary target operators using Uhlmann's theorem for majorization, which enables observable learning. Our proposal is demonstrated with extensive numerical experiments, including observable learning, Rényi entropy measurement, and image recognition. We find the expressivity of QNNs is enhanced by introducing randomness for multiple learning tasks, which could have broad application in quantum machine learning.
Quantum neural networks (QNNs) have shown promise in leveraging quantum computation for machine learning tasks. Utilizing multiple identical photons as input, multi-photon quantum neural networks (MPQNNs) have the potential to enhance the expressivity through increasing the photon number. However, how precisely the expressivity of an MPQNN is affected by an increase in photon number, and whether it can be infinitely enhanced by increasing the photon number, remains unexplored. In this work, we quantitatively estimate the expressivity of this model by deriving upper bounds on approximation error in two cases. In the case of a fixed observable, there exists a threshold that scales linearly with the mode number. Below the threshold, the expressivity of an MPQNN can be enhanced polynomially by increasing the photon number. Above the threshold, however, increasing the photon number does not affect the expressivity. In the case of a trainable observable, the expressivity can always be enhanced polynomially by increasing the photon number. These findings are then validated by numerical simulations. Our work elucidates the performance enhancement of multi-photon quantum feature in QNNs, as well as its limitations, offering guidance for leveraging multi-photon advantages in quantum machine learning.
Parameterized quantum circuits (PQCs) have emerged as a promising approach for quantum neural networks. However, understanding their expressive power in accomplishing machine learning tasks remains a crucial question. This paper investigates the expressivity of PQCs for approximating general multivariate function classes. Unlike previous Universal Approximation Theorems for PQCs, which are either nonconstructive or rely on parameterized classical data processing, we explicitly construct data re-uploading PQCs for approximating multivariate polynomials and smooth functions. We establish the first non-asymptotic approximation error bounds for these functions in terms of the number of qubits, quantum circuit depth, and number of trainable parameters. Notably, we demonstrate that for approximating functions that satisfy specific smoothness criteria, the quantum circuit size and number of trainable parameters of our proposed PQCs can be smaller than those of deep ReLU neural networks. We further validate the approximation capability of PQCs through numerical experiments. Our results provide a theoretical foundation for designing practical PQCs and quantum neural networks for machine learning tasks that can be implemented on near-term quantum devices, paving the way for the advancement of quantum machine learning.
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.