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arXiv:2110.04253 · Entropy

F-Divergences and Cost Function Locality in Generative Modelling with Quantum Circuits

Chiara Leadbeater, Louis Sharrock, Brian Coyle, Marcello Benedetti

Published Sep 30, 2021• 11 citations
arXivHTMLPDF

Abstract

Generative modelling is an important unsupervised task in machine learning. In this work, we study a hybrid quantum-classical approach to this task, based on the use of a quantum circuit born machine. In particular, we consider training a quantum circuit born machine using f-divergences. We first discuss the adversarial framework for generative modelling, which enables the estimation of any f-divergence in the near term. Based on this capability, we introduce two heuristics which demonstrably improve the training of the born machine. The first is based on f-divergence switching during training. The second introduces locality to the divergence, a strategy which has proved important in similar applications in terms of mitigating barren plateaus. Finally, we discuss the long-term implications of quantum devices for computing f-divergences, including algorithms which provide quadratic speedups to their estimation. In particular, we generalise existing algorithms for estimating the Kullback–Leibler divergence and the total variation distance to obtain a fault-tolerant quantum algorithm for estimating another f-divergence, namely, the Pearson divergence.

DOI
10.3390/e23101281

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Generative modelling is an important unsupervised task in machine learning. In this work, we study a hybrid quantum-classical approach to this task, based on the use of a quantum circuit born machine. In particular, we consider training a quantum circuit born machine using f-divergences. We first discuss the adversarial framework for generative modelling, which enables the estimation of any f-divergence in the near term. Based on this capability, we introduce two heuristics which demonstrably improve the training of the born machine. The first is based on f-divergence switching during training. The second introduces locality to the divergence, a strategy which has proved important in similar applications in terms of mitigating barren plateaus. Finally, we discuss the long-term implications of quantum devices for computing f-divergences, including algorithms which provide quadratic speedups to their estimation. In particular, we generalise existing algorithms for estimating the Kullback–Leibler divergence and the total variation distance to obtain a fault-tolerant quantum algorithm for estimating another f-divergence, namely, the Pearson divergence.
Quantum generative models use the intrinsic probabilistic nature of quantum mechanics to learn and reproduce complex probability distributions. In this paper, we present an implementation of a 3-qubit quantum circuit Born machine trained to model a 3-bit Gaussian distribution using a Kullback-Leibler (KL) divergence loss and parameter-shift gradient optimization. The variational quantum circuit consists of layers of parameterized rotations and entangling gates, and is optimized such that the Born rule output distribution closely matches the target distribution. We detail the mathematical formulation of the model distribution, the KL divergence cost function, and the parameter-shift rule for gradient evaluation. Training results on a statevector simulator show that the KL divergence is minimized to near zero, and the final generated distribution aligns quantitatively with the target probabilities. We analyze the convergence behavior and discuss the implications for scalability and quantum advantage. Our results demonstrate the feasibility of small-scale quantum generative learning and provide insight into the training dynamics of quantum circuit models.
Abstract The search for an application of near-term quantum devices is widespread. Quantum machine learning is touted as a potential utilisation of such devices, particularly those out of reach of the simulation capabilities of classical computers. In this work, we study such an application in generative modelling, focussing on a class of quantum circuits known as Born machines. Specifically, we define a subset of this class based on Ising Hamiltonians and show that the circuits encountered during gradient-based training cannot be efficiently sampled from classically up to multiplicative error in the worst case. Our gradient-based training methods use cost functions known as the Sinkhorn divergence and the Stein discrepancy, which have not previously been used in the gradient-based training of quantum circuits, and we also introduce quantum kernels to generative modelling. We show that these methods outperform the previous standard method, which used maximum mean discrepancy (MMD) as a cost function, and achieve this with minimal overhead. Finally, we discuss the ability of the model to learn hard distributions and provide formal definitions for ‘quantum learning supremacy’. We also exemplify the work of this paper by using generative modelling to perform quantum circuit compilation.
In recent years, an increasing number of studies about quantum machine learning not only provide powerful tools for quantum chemistry and quantum physics but also improve the classical learning algorithm. The hybrid quantum-classical framework, which is constructed by a variational quantum circuit (VQC) and an optimizer, plays a key role in the latest quantum machine learning studies. Nevertheless, in these hybridframework-based quantum machine learning models, the VQC is mainly constructed with a fixed structure and this structure causes inflexibility problems. There are also few studies focused on comparing the performance of quantum generative models with different loss functions. In this study, we address the inflexibility problem by adopting the variable-depth VQC model to automatically change the structure of the quantum circuit according to the qBAS score. The basic idea behind the variable-depth VQC is to consider the depth of the quantum circuit as a parameter during the training. Meanwhile, we compared the performance of the variable-depth VQC model based on four widely used statistical distances set as the loss functions, including Kullback-Leibler divergence (KL-divergence), Jensen-Shannon divergence (JS-divergence), total variation distance, and maximum mean discrepancy. Our numerical experiment shows a promising result that the variable-depth VQC model works better than the original VQC in the generative learning tasks.
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.
The training of a parameterized model largely depends on the landscape of the underlying loss function. In particular, vanishing gradients are a central bottleneck in the scalability of variational quantum algorithms (VQAs), and are known to arise in various ways. However, a caveat of most existing gradient bound results is the requirement of t-design circuit assumptions that are typically not satisfied in practice. In this work, we loosen these assumptions altogether and derive tight upper and lower bounds on loss and gradient concentration for a large class of parameterized quantum circuits and arbitrary observables, which are significantly stronger than prior work. Moreover, we show that these bounds, as well as the variance of the loss itself, can be estimated efficiently and classically-providing practical tools to study the loss landscapes of VQA models, including verifying whether or not a circuit/observable induces barren plateaus. In particular, our results can readily be leveraged to rule out barren plateaus for a realistic class of ansätze and mixed observables, namely, observables containing a non-vanishing local term. This insight has direct implications for hybrid Quantum Generative Adversarial Networks (qGANs). We prove that designing the discriminator appropriately leads to 1-local weights that stay constant in the number of qubits, regardless of discriminator depth. This implies that qGANs with appropriately chosen generators do not suffer from barren plateaus even at scale-making them a promising candidate for applications in generative quantum machine learning. We demonstrate this result by training a qGAN to learn a 2D mixture of Gaussian distributions with up to 16 qubits, and provide numerical evidence that global contributions to the gradient, while initially exponentially small, may kick in substantially over the course of training.
Quantum generative models harness the probabilistic nature of quantum mechanics to represent and learn complex distributions, offering a novel framework for both classical and quantum data modeling. This chapter introduces foundational architectures such as quantum circuit Born machines, quantum generative adversarial networks, and variational autoencoders, emphasizing their expressivity, training methods, and applications. We explore use cases ranging from anomaly detection to spectral function sampling and discuss key challenges including trainability, noise, and evaluation metrics. The chapter concludes by outlining opportunities for quantum advantage in generative tasks and highlighting emerging strategies for scalable, noise-resilient model training on near-term quantum devices.