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arXiv:2406.08591 · Quantum Machine Intelligence

MEMO-QCD: quantum density estimation through memetic optimisation for quantum circuit design

Juan E. Ardila-García, Vladimir Vargas-Calderón, Fabio Augusto Gonzalez, Diego H. Useche, Herbert Vinck-Posada

Published Dec 26, 2024• 1 citation
arXivHTMLPDF

Abstract

Abstract This paper presents a strategy for efficient quantum circuit design for density estimation. The strategy is based on a quantum-inspired algorithm for density estimation and a circuit optimisation routine based on memetic algorithms. The model maps a training dataset to a quantum state represented by a density matrix through a quantum feature map. This training state encodes the probability distribution of the dataset in a quantum state, such that the density of a new sample can be estimated by projecting its corresponding quantum state onto the training state. We propose the application of a memetic algorithm to find the architecture and parameters of a variational quantum circuit that implements the quantum feature map, along with a variational learning strategy to prepare the training state. Demonstrations of the proposed strategy show an accurate approximation of the Gaussian kernel density estimation method through shallow quantum circuits illustrating the feasibility of the algorithm for near-term quantum hardware.

DOI
10.1007/s42484-024-00203-x

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Abstract This paper presents a strategy for efficient quantum circuit design for density estimation. The strategy is based on a quantum-inspired algorithm for density estimation and a circuit optimisation routine based on memetic algorithms. The model maps a training dataset to a quantum state represented by a density matrix through a quantum feature map. This training state encodes the probability distribution of the dataset in a quantum state, such that the density of a new sample can be estimated by projecting its corresponding quantum state onto the training state. We propose the application of a memetic algorithm to find the architecture and parameters of a variational quantum circuit that implements the quantum feature map, along with a variational learning strategy to prepare the training state. Demonstrations of the proposed strategy show an accurate approximation of the Gaussian kernel density estimation method through shallow quantum circuits illustrating the feasibility of the algorithm for near-term quantum hardware.
Abstract Hybrid quantum-classical algorithms provide ways to use noisy intermediate-scale quantum computers for practical applications. Expanding the portfolio of such techniques, we propose a quantum circuit learning algorithm that can be used to assist the characterization of quantum devices and to train shallow circuits for generative tasks. The procedure leverages quantum hardware capabilities to its fullest extent by using native gates and their qubit connectivity. We demonstrate that our approach can learn an optimal preparation of the Greenberger-Horne-Zeilinger states, also known as “cat states”. We further demonstrate that our approach can efficiently prepare approximate representations of coherent thermal states, wave functions that encode Boltzmann probabilities in their amplitudes. Finally, complementing proposals to characterize the power or usefulness of near-term quantum devices, such as IBM’s quantum volume, we provide a new hardware-independent metric called the qBAS score. It is based on the performance yield in a specific sampling task on one of the canonical machine learning data sets known as Bars and Stripes. We show how entanglement is a key ingredient in encoding the patterns of this data set; an ideal benchmark for testing hardware starting at four qubits and up. We provide experimental results and evaluation of this metric to probe the trade off between several architectural circuit designs and circuit depths on an ion-trap quantum computer.
Abstract Currently available quantum computers suffer from constraints including hardware noise and a limited number of qubits. As such, variational quantum algorithms that utilise a classical optimiser in order to train a parameterised quantum circuit have drawn significant attention for near-term practical applications of quantum technology. In this work, we take a probabilistic point of view and reformulate the classical optimisation as an approximation of a Bayesian posterior. The posterior is induced by combining the cost function to be minimised with a prior distribution over the parameters of the quantum circuit. We describe a dimension reduction strategy based on a maximum a posteriori point estimate with a Laplace prior. Experiments on the Quantinuum H1-2 computer show that the resulting circuits are faster to execute and less noisy than the circuits trained without the dimension reduction strategy. We subsequently describe a posterior sampling strategy based on stochastic gradient Langevin dynamics. Numerical simulations on three different problems show that the strategy is capable of generating samples from the full posterior and avoiding local optima.
Quantum circuit Born machines are generative models which represent the probability distribution of classical dataset as quantum pure states. Computational complexity considerations of the quantum sampling problem suggest that the quantum circuits exhibit stronger expressibility compared to classical neural networks. One can efficiently draw samples from the quantum circuits via projective measurements on qubits. However, similar to the leading implicit generative models in deep learning, such as the generative adversarial networks, the quantum circuits cannot provide the likelihood of the generated samples, which poses a challenge to the training. We devise an efficient gradient-based learning algorithm for the quantum circuit Born machine by minimizing the kerneled maximum mean discrepancy loss. We simulated generative modeling of the BARS-AND-STRIPES dataset and Gaussian mixture distributions using deep quantum circuits. Our experiments show the importance of circuit depth and the gradient-based optimization algorithm. The proposed learning algorithm is runnable on near-term quantum device and can exhibit quantum advantages for probabilistic generative modeling.
Good feature maps are crucial for machine learning kernel methods for effective mapping of non-linearly separable input data into a higher dimension feature space, thus allowing the data to be linearly separable in feature space. Recent works have proposed automating the task of quantum feature map circuit design with methods such as variational ansatz parameter optimization and genetic algorithms. A problem commonly faced by genetic algorithm methods is the high cost of computing the genetic cost function. To mitigate this, this work investigates the suitability of two metrics as alternatives to test set classification accuracy. Accuracy has been applied successfully as a genetic algorithm cost function for quantum feature map design in previous work. The first metric is kernel-target alignment, which has previously been used as a training metric in quantum feature map design by variational ansatz training. Kernel-target alignment is a faster metric to evaluate than test set accuracy and does not require any data points to be reserved from the training set for its evaluation. The second metric is an estimation of kernel-target alignment which further accelerates the genetic fitness evaluation by an adjustable constant factor. The second aim of this work is to address the issue of the limited gate parameter choice available to the genetic algorithm. This is done by training the parameters of the quantum feature map circuits output in the final generation of the genetic algorithm using COBYLA to improve either kernel-target alignment or root mean squared error. This hybrid approach is intended to complement the genetic algorithm structure optimization approach by improving the feature maps without increasing their size. Eight new approaches are compared to the accuracy optimization approach across nine varied binary classification problems from the UCI machine learning repository, demonstrating that kernel-target alignment and its approximation produce feature map circuits enabling comparable accuracy to the original approach, with larger margins on training data that improve further with variational training.
Quantum machine learning with quantum kernels for classification problems is a growing area of research. Recently, quantum kernel alignment techniques that parameterise the kernel have been developed, allowing the kernel to be trained and therefore aligned with a specific dataset. While quantum kernel alignment is a promising technique, it has been hampered by considerable training costs because the full kernel matrix must be constructed at every training iteration. Addressing this challenge, we introduce a novel method that seeks to balance efficiency and performance. We present a sub-sampling training approach that uses a subset of the kernel matrix at each training step, thereby reducing the overall computational cost of the training. In this work, we apply the sub-sampling method to synthetic datasets and a real-world breast cancer dataset and demonstrate considerable reductions in the number of circuits required to train the quantum kernel while maintaining classification accuracy.
Density estimation is a central task in statistics and machine learning. This problem aims to determine the underlying probability density function that best aligns with an observed dataset. Some of its applications include statistical inference, unsupervised learning, and anomaly detection. Despite its relevance, few works have explored the application of quantum computing to density estimation. In this article, we present a quantum-classical density-matrix density estimation model, called Q-DEMDE, based on the expected values of density matrices and a quantum embedding called quantum Fourier features. The method uses quantum hardware to build probability distributions of training data via mixed quantum states. As a core subroutine, we propose an algorithm to estimate the expected value of a mixed density matrix from its spectral decomposition on a quantum computer. In addition, we present an application of the method for quantum-classical anomaly detection. We evaluated the density estimation model with quantum random and quantum adaptive Fourier features on different datasets on a quantum simulator and a real quantum computer. An important result of this work is to show that it is possible to perform density estimation and anomaly detection with high performance on present-day quantum computers.