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arXiv:2008.08605 · Physical Review A

Effect of data encoding on the expressive power of variational quantum-machine-learning models

Maria Schuld, Ryan Sweke, Johannes Jakob Meyer

Published Mar 24, 2021• 739 citations
arXivHTMLPDF

Abstract

Quantum computers can be used for supervised learning by treating parametrized quantum circuits as models that map data inputs to predictions. While a lot of work has been done to investigate the practical implications of this approach, many important theoretical properties of these models remain unknown. Here, we investigate how the strategy with which data are encoded into the model influences the expressive power of parametrized quantum circuits as function approximators. We show that one can naturally write a quantum model as a partial Fourier series in the data, where the accessible frequencies are determined by the nature of the data-encoding gates in the circuit. By repeating simple data-encoding gates multiple times, quantum models can access increasingly rich frequency spectra. We show that there exist quantum models which can realize all possible sets of Fourier coefficients, and therefore, if the accessible frequency spectrum is asymptotically rich enough, such models are universal function approximators.

DOI
10.1103/physreva.103.032430

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Quantum computers can be used for supervised learning by treating parametrized quantum circuits as models that map data inputs to predictions. While a lot of work has been done to investigate the practical implications of this approach, many important theoretical properties of these models remain unknown. Here, we investigate how the strategy with which data are encoded into the model influences the expressive power of parametrized quantum circuits as function approximators. We show that one can naturally write a quantum model as a partial Fourier series in the data, where the accessible frequencies are determined by the nature of the data-encoding gates in the circuit. By repeating simple data-encoding gates multiple times, quantum models can access increasingly rich frequency spectra. We show that there exist quantum models which can realize all possible sets of Fourier coefficients, and therefore, if the accessible frequency spectrum is asymptotically rich enough, such models are universal function approximators.
There is an increasing interest in Quantum Machine Learning (QML) models, how they work and for which applications they could be useful. There have been many different proposals on how classical data can be encoded and what circuit ansätze and measurement operators should be used to process the encoded data and measure the output state of an ansatz. The choice of the aforementioned operators plays a determinant role in the expressive power of the QML model. In this work we investigate how certain changes in the circuit structure change this expressivity. We introduce both numerical and analytical tools to explore the effect that these operators have in the overall performance of the QML model. These tools are based on previous work on the teacher-student scheme, the partial Fourier series and the averaged operator size. We focus our analysis on simple QML models with two and three qubits and observe that increasing the number of parameterized and entangling gates leads to a more expressive model for certain circuit structures. Also, on which qubit the measurement is performed affects the type of functions that QML models could learn. This work sketches the determinant role that the processing and measurement operators have on the expressive power of simple quantum circuits.
Variational quantum circuits (VQCs) can be understood through the lens of Fourier analysis. The function space represented by any circuit architecture can be described through a truncated Fourier sum. We show that the spectrum available to that truncated Fourier sum is not entirely determined by the encoding gates of the circuit, since the variational part of the circuit can constrain certain coefficients to zero, effectively removing that frequency from the spectrum. To the best of our knowledge, we give the first description of the functional dependence of the Fourier coefficients on the variational parameters as trigonometric polynomials. This allows us to provide an algorithm that computes the exact spectrum of any given circuit and the corresponding Fourier coefficients. Finally, we demonstrate that by comparing the Fourier transform of the dataset to the available spectra, it is possible to predict which VQC of a given list of choices will best fit the data.
Parameterized quantum circuits as machine learning models are typically well described by their representation as a partial Fourier series of the input features, with frequencies uniquely determined by the feature map's generator Hamiltonians. Ordinarily, these data-encoding generators are chosen in advance, fixing the space of functions that can be represented. In this work we consider a generalization of quantum models to include a set of trainable parameters in the generator, leading to a trainable-frequency (TF) quantum model. We numerically demonstrate how TF models can learn generators with desirable properties for solving the task at hand, including nonregularly spaced frequencies in their spectra and flexible spectral richness. Finally, we showcase the real-world effectiveness of our approach, demonstrating an improved accuracy in solving the Navier-Stokes equations using a TF model with only a single parameter added to each encoding operation. Since TF models encompass conventional fixed-frequency models, they may offer a sensible default choice for variational quantum machine learning.
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.
When parametrized quantum circuits are viewed as models that translate data inputs into predictions, quantum computers can be utilized for supervised learning. Many crucial theoretical aspects of these models remain unknown, even though considerable work has been done to understand the practical consequences of this method. Quantum models can access richer and richer frequency spectra by repeatedly repeating straightforward data-encoding gates. Since simulation time increases exponentially, simulation-based training cannot be used to big QML models. Variational quantum algorithms and quantum GAN are expected to give the best results if applied for different health care applications in microseconds. The present work explains how QML can be applied for variational quantum eigen solving. This paper also explains quantum Fourier transform analysis.
In this work, we highlight an unforeseen behavior of the expressivity of Parameterized Quantum Circuits (PQCs) for machine learning. A large class of these models, seen as Fourier series whose frequencies are derived from the encoding gates, were thought to have their Fourier coefficients mostly determined by the trainable gates. Here, we demonstrate a new correlation between the Fourier coefficients of the quantum model and its encoding gates. In addition, we display a phenomenon of vanishing expressivity in certain settings, where some Fourier coefficients vanish exponentially as the number of qubits grows. These two behaviors imply novel forms of constraints which limit the expressivity of PQCs, and therefore imply a new inductive bias for quantum models. The key concept in this work is the notion of a frequency redundancy in the Fourier series spectrum, which determines its importance. Those theoretical behaviors are observed in numerical simulations.