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arXiv:2210.11288 · SciPost Physics

Accelerating equilibrium spin-glass simulations using quantum annealers via generative deep learning

Giuseppe Scriva, Emanuele Costa, Benjamin McNaughton, Sebastiano Pilati

Published Jul 20, 2023• 8 citations
arXivHTMLPDF

Abstract

Adiabatic quantum computers, such as the quantum annealers commercialized by D-Wave Systems Inc., are routinely used to tackle combinatorial optimization problems. In this article, we show how to exploit them to accelerate equilibrium Markov chain Monte Carlo simulations of computationally challenging spin-glass models at low but finite temperatures. This is achieved by training generative neural networks on data produced by a D-Wave quantum annealer, and then using them to generate smart proposals for the Metropolis-Hastings algorithm. In particular, we explore hybrid schemes by combining single spin-flip and neural proposals, as well as D-Wave and classical Monte Carlo training data. The hybrid algorithm outperforms the single spin-flip Metropolis-Hastings algorithm. It is competitive with parallel tempering in terms of correlation times, with the significant benefit of a much shorter equilibration time.

DOI
10.21468/scipostphys.15.1.018

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Adiabatic quantum computers, such as the quantum annealers commercialized by D-Wave Systems Inc., are routinely used to tackle combinatorial optimization problems. In this article, we show how to exploit them to accelerate equilibrium Markov chain Monte Carlo simulations of computationally challenging spin-glass models at low but finite temperatures. This is achieved by training generative neural networks on data produced by a D-Wave quantum annealer, and then using them to generate smart proposals for the Metropolis-Hastings algorithm. In particular, we explore hybrid schemes by combining single spin-flip and neural proposals, as well as D-Wave and classical Monte Carlo training data. The hybrid algorithm outperforms the single spin-flip Metropolis-Hastings algorithm. It is competitive with parallel tempering in terms of correlation times, with the significant benefit of a much shorter equilibration time.
Variational neural network models have achieved remarkable success in solving ground-state problems of quantum many-body systems. However, addressing classical and quantum spin glasses remains challenging, as disorder and energy frustration give rise to an exponentially large number of local energy minima separated by high-energy barriers, hindering the efficiency of conventional Metropolis-based Monte Carlo methods. To bridge this gap, we introduce Deep Boltzmann Quantum States, a class of neural quantum states inspired by deep Boltzmann machines that inherit efficient block Gibbs sampling. We also propose two key advances in the training algorithm. Firstly, we combine natural-gradient updates with state-of-the-art stochastic optimizers. Secondly, we gradually tune the hardness of the problem Hamiltonian by interpolating from an easy to a hard regime, without the need to closely approximate the instantaneous adiabatic state at intermediate times. We match the exact solution or the best available estimate for several instances of classical and quantum Ising spin-glass models with infinite-range interactions and hundreds of spins. We also solve instances of the NP-hard Job Shop Scheduling Problem exceeding the current limitations of quantum annealing hardware. To summarize, deep neural architectures with efficient global update rules and trained within an annealing-like scheme, provide a powerful framework for solving real-world hard combinatorial optimization and for investigating disordered quantum many-body systems.
Quantum annealing was originally proposed as an approach for solving combinatorial optimization problems using quantum effects. D-Wave Systems has released a production model of quantum annealing hardware. However, the inherent noise and various environmental factors in the hardware hamper the determination of optimal solutions. In addition, the freezing effect in regions with weak quantum fluctuations generates outputs approximately following a Gibbs-Boltzmann distribution at an extremely low temperature. Thus, a quantum annealer may also serve as a fast sampler for the Ising spin-glass problem, and several studies have investigated Boltzmann machine learning using a quantum annealer. Previous developments have focused on comparing the performance in the standard distance of the resulting distributions between conventional methods in classical computers and sampling by a quantum annealer. In this study, we focused on the performance of a quantum annealer as a generative model from a different aspect. To evaluate its performance, we prepared a discriminator given by a neural network trained on an a priori dataset. The evaluation results show a higher performance of quantum annealer compared with the classical approach for Boltzmann machine learning in training of the generative model. However the generation of the data suffers from the remanent quantum fluctuation in the quantum annealer. The quality of the generated images from the quantum annealer gets worse than the ideal case of the quantum annealing and the classical Monte-Carlo sampling.
Programmable quantum annealers can realize real-time dynamics of frustrated transverse-field Ising models on large, nontrivial graphs. Recent work by King et al. argued that the classical simulation of such experiments would require exponential computational resources for classical methods such as tensor networks and neural quantum states. Here, we numerically simulate the D-Wave spin-glass annealing protocol with time-dependent variational Monte Carlo (t-VMC) using a correlator state tailored to spin-glass dynamics. For the two-dimensional cylinder, three-dimensional dimer, diamond, and biclique instances considered, at annealing times of 7 and 20 ns, we show that systematically increasing the variational ansatz size enables t-VMC to approximate the final two-spin correlation errors of the quantum processing unit (QPU). We also perform an accurate large-scale simulation of a challenging biclique instance for which no other variational method is known to work, and we find close agreement with the quantum annealer. Through ablation studies, we identify poor Markov-chain mixing, high-variance local-energy estimators, and stochastic Runge-Kutta error estimates as the principal numerical failure modes. We address these numerical issues by using parallel tempering, blurred sampling and an importance-weighted differential equation solver, thereby clarifying the numerical requirements for stable, large-scale t-VMC simulations. Our results extend the frontier of classical simulation while providing a realistic assessment of the computational costs of simulating quantum dynamics at this scale.
Sampling problems are widely regarded as the task for which quantum computers can most readily provide a quantum advantage. Leveraging this feature, the quantum-enhanced Markov chain Monte Carlo [Layden , Nature 619, 282–287 (2023)] has been proposed recently, where sampling from a quantum computer is used as a proposal distribution and convergence to a target distribution is accelerated. However, guaranteeing convergence to the target distribution typically forces one to impose restrictive symmetry constraints on the quantum circuit, which makes it hard to design good proposal distributions and prevents making full use of the advantage of a quantum computer. We explore a hybrid quantum-classical Markov chain Monte Carlo framework that combines a quantum circuit with a generative neural sampler (GNS). The GNS is trained on quantum samples and acts as a classical surrogate to efficiently emulate quantum outputs, thereby lifting circuit constraints. We apply this method to Boltzmann sampling of spin glasses using proposals trained with a quantum approximate optimization algorithm circuit. This approach outperforms conventional methods, showing a polynomial speedup (over cubic) in spectral gap compared with uniform proposals. Notably, it maintains similar acceleration even without parameter optimization. These results establish the method as a viable sampling-based quantum algorithm for noisy intermediate-scale quantum devices and highlight its potential for solving practical problems with quantum computation.
Growing interest in quantum computers and artificial intelligence has fueled several innovations in recent years with regards to machine learning. With the construction of the first experimental quantum annealers by D-Wave, attaining the significant speedup provided by a quantum computer seems within reach. However, recent tests bring into question the degree to which these quantum effects are being utilized. The presence of temperature chaos when solving for the ground-state energy of a spin-glass system and the unfavorable scaling with classical hardness suggest that the D-Wave may really be a semiclassical machine. Using a state-of-the-art parallel tempering code and by using artificial neural networks and t-distributed stochastic neighbor embedding, we search for features in spin-glass instances that cause temperature chaos, and by extension attempt to gain some insight into the performance and scaling problems of the D-Wave quantum computer. As a result, we found that temperature chaos must be caused by structures deeper than the interactions themselves.
The development of quantum-classical hybrid (QCH) algorithms is critical to achieve state-of-the-art computational models. A QCH variational autoencoder (QVAE) was introduced in reference [ 1 ] by some of the authors of this paper. QVAE consists of a classical auto-encoding structure realized by traditional deep neural networks to perform inference to and generation from, a discrete latent space. The latent generative process is formalized as thermal sampling from a quantum Boltzmann machine (QBM). This setup allows quantum-assisted training of deep generative models by physically simulating the generative process with quantum annealers. In this paper, we have successfully employed D-Wave quantum annealers as Boltzmann samplers to perform quantum-assisted, end-to-end training of QVAE. The hybrid structure of QVAE allows us to deploy current-generation quantum annealers in QCH generative models to achieve competitive performance on datasets such as MNIST. The results presented in this paper suggest that commercially available quantum annealers can be deployed, in conjunction with well-crafted classical deep neutral networks, to achieve competitive results in unsupervised and semisupervised tasks on large-scale datasets. We also provide evidence that our setup is able to exploit large latent-space QBMs, which develop slowly mixing modes. This expressive latent space results in slow and inefficient classical sampling and paves the way to achieve quantum advantage with quantum annealing in realistic sampling applications.