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The preparation and computation of many properties of quantum Gibbs states is essential for algorithms such as quantum semidefinite programming and quantum Boltzmann machines. We propose a quantum algorithm that can predict $M$ linear functions of an arbitrary Gibbs state with only $\mathcal{O}(\log{M})$ experimental measurements. Our main insight is that for sufficiently large systems we do not need to prepare the $n$-qubit mixed Gibbs state explicitly but, instead, we can evolve a random $n$-qubit pure state in imaginary time. The result then follows by constructing classical shadows of these random pure states. We propose a quantum circuit that implements this algorithm by using quantum signal processing for the imaginary time evolution. We numerically verify the efficiency of the algorithm by simulating the circuit for a ten-spin-1/2 XXZ-Heisenberg model. In addition, we show that the algorithm can be successfully employed as a subroutine for training an eight-qubit fully connected quantum Boltzmann machine., Comment: Fixed a few typos

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., Comment: 11 pages, 7 figures

Inference is the task of drawing conclusions about unobserved variables given observations of related variables. Applications range from identifying diseases from symptoms to classifying economic regimes from price movements. Unfortunately, performing exact inference is intractable in general. One alternative is variational inference, where a candidate probability distribution is optimized to approximate the posterior distribution over unobserved variables. For good approximations, a flexible and highly expressive candidate distribution is desirable. In this work, we use quantum Born machines as variational distributions over discrete variables. We apply the framework of operator variational inference to achieve this goal. In particular, we adopt two specific realizations: one with an adversarial objective and one based on the kernelized Stein discrepancy. We demonstrate the approach numerically using examples of Bayesian networks, and implement an experiment on an IBM quantum computer. Our techniques enable efficient variational inference with distributions beyond those that are efficiently representable on a classical computer., Comment: 17 pages, 9 figures, 1 table; As published in Phys. Rev. Applied

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., Comment: 20 pages, 9 figures, 4 tables

Parameterized quantum circuits are a promising technology for achieving a quantum advantage. An important application is the variational simulation of time evolution of quantum systems. To make the most of quantum hardware, variational algorithms need to be as hardware-efficient as possible. Here we present alternatives to the time-dependent variational principle that are hardware-efficient and do not require matrix inversion. In relation to imaginary time evolution, our approach significantly reduces the hardware requirements. With regards to real time evolution, where high precision can be important, we present algorithms of systematically increasing accuracy and hardware requirements. We numerically analyze the performance of our algorithms using quantum Hamiltonians with local interactions., Comment: 16 pages, 10 figures, 1 table. As published in Phys. Rev. Research

Current gate-based quantum computers have the potential to provide a computational advantage if algorithms use quantum hardware efficiently. To make combinatorial optimization more efficient, we introduce the Filtering Variational Quantum Eigensolver (F-VQE) which utilizes filtering operators to achieve faster and more reliable convergence to the optimal solution. Additionally we explore the use of causal cones to reduce the number of qubits required on a quantum computer. Using random weighted MaxCut problems, we numerically analyze our methods and show that they perform better than the original VQE algorithm and the Quantum Approximate Optimization Algorithm (QAOA). We also demonstrate the experimental feasibility of our algorithms on a Honeywell trapped-ion quantum processor., Comment: 14 pages, 9 figures, 2 tables, accepted version

Hybrid quantum-classical systems make it possible to utilize existing quantum computers to their fullest extent. Within this framework, parameterized quantum circuits can be regarded as machine learning models with remarkable expressive power. This Review presents the components of these models and discusses their application to a variety of data-driven tasks, such as supervised learning and generative modeling. With an increasing number of experimental demonstrations carried out on actual quantum hardware and with software being actively developed, this rapidly growing field is poised to have a broad spectrum of real-world applications., 18 pages, 8 figures, 3 tables; Improved exposition

We propose an efficient method for simultaneously optimizing both the structure and parameter values of quantum circuits with only a small computational overhead. Shallow circuits that use structure optimization perform significantly better than circuits that use parameter updates alone, making this method particularly suitable for noisy intermediate-scale quantum computers. We demonstrate the method for optimizing a variational quantum eigensolver for finding the ground states of Lithium Hydride and the Heisenberg model in simulation, and for finding the ground state of Hydrogen gas on the IBM Melbourne quantum computer., Comment: 13 pages, 6 figures. Added section "Optimization of circuits with limited expressibility". The previous version was titled "Quantum circuit structure learning"

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., 16 pages, 9 figures. Minor revisions. As published in npj Quantum Information

We train generative modeling circuits on a quantum hybrid computer showing an optimization strategy and a resource trade-off., Generative modeling is a flavor of machine learning with applications ranging from computer vision to chemical design. It is expected to be one of the techniques most suited to take advantage of the additional resources provided by near-term quantum computers. Here, we implement a data-driven quantum circuit training algorithm on the canonical Bars-and-Stripes dataset using a quantum-classical hybrid machine. The training proceeds by running parameterized circuits on a trapped ion quantum computer and feeding the results to a classical optimizer. We apply two separate strategies, Particle Swarm and Bayesian optimization to this task. We show that the convergence of the quantum circuit to the target distribution depends critically on both the quantum hardware and classical optimization strategy. Our study represents the first successful training of a high-dimensional universal quantum circuit and highlights the promise and challenges associated with hybrid learning schemes.

Adversarial learning is one of the most successful approaches to modelling high-dimensional probability distributions from data. The quantum computing community has recently begun to generalize this idea and to look for potential applications. In this work, we derive an adversarial algorithm for the problem of approximating an unknown quantum pure state. Although this could be done on universal quantum computers, the adversarial formulation enables us to execute the algorithm on near-term quantum computers. Two parametrized circuits are optimized in tandem: One tries to approximate the target state, the other tries to distinguish between target and approximated state. Supported by numerical simulations, we show that resilient backpropagation algorithms perform remarkably well in optimizing the two circuits. We use the bipartite entanglement entropy to design an efficient heuristic for the stopping criterion. Our approach may find application in quantum state tomography., Comment: 14 pages, 6 figures. Minor revisions. As published in New J. Phys

With quantum computing technologies nearing the era of commercialization and quantum supremacy, machine learning (ML) appears as one of the promising "killer" applications. Despite significant effort, there has been a disconnect between most quantum ML proposals, the needs of ML practitioners, and the capabilities of near-term quantum devices to demonstrate quantum enhancement in the near future. In this contribution to the focus collection on "What would you do with 1000 qubits?", we provide concrete examples of intractable ML tasks that could be enhanced with near-term devices. We argue that to reach this target, the focus should be on areas where ML researchers are struggling, such as generative models in unsupervised and semi-supervised learning, instead of the popular and more tractable supervised learning techniques. We also highlight the case of classical datasets with potential quantum-like statistical correlations where quantum models could be more suitable. We focus on hybrid quantum-classical approaches and illustrate some of the key challenges we foresee for near-term implementations. Finally, we introduce the quantum-assisted Helmholtz machine (QAHM), an attempt to use near-term quantum devices to tackle high-dimensional datasets of continuous variables. Instead of using quantum computers to assist deep learning, as previous approaches do, the QAHM uses deep learning to extract a low-dimensional binary representation of data, suitable for relatively small quantum processors which can assist the training of an unsupervised generative model. Although we illustrate this concept on a quantum annealer, other quantum platforms could benefit as well from this hybrid quantum-classical framework., Contribution to the special issue of Quantum Science & Technology (QST) on "What would you do with 1000 qubits"

Parametrized quantum circuits initialized with random initial parameter values are characterized by barren plateaus where the gradient becomes exponentially small in the number of qubits. In this technical note we theoretically motivate and empirically validate an initialization strategy which can resolve the barren plateau problem for practical applications. The technique involves randomly selecting some of the initial parameter values, then choosing the remaining values so that the circuit is a sequence of shallow blocks that each evaluates to the identity. This initialization limits the effective depth of the circuits used to calculate the first parameter update so that they cannot be stuck in a barren plateau at the start of training. In turn, this makes some of the most compact ansätze usable in practice, which was not possible before even for rather basic problems. We show empirically that variational quantum eigensolvers and quantum neural networks initialized using this strategy can be trained using a gradient based method.

An increase in the efficiency of sampling from Boltzmann distributions would have a significant impact on deep learning and other machine-learning applications. Recently, quantum annealers have been proposed as a potential candidate to speed up this task, but several limitations still bar these state-of-the-art technologies from being used effectively. One of the main limitations is that, while the device may indeed sample from a Boltzmann-like distribution, quantum dynamical arguments suggest it will do so with an {\it instance-dependent} effective temperature, different from its physical temperature. Unless this unknown temperature can be unveiled, it might not be possible to effectively use a quantum annealer for Boltzmann sampling. In this work, we propose a strategy to overcome this challenge with a simple effective-temperature estimation algorithm. We provide a systematic study assessing the impact of the effective temperatures in the learning of a special class of a restricted Boltzmann machine embedded on quantum hardware, which can serve as a building block for deep-learning architectures. We also provide a comparison to $k$-step contrastive divergence (CD-$k$) with $k$ up to 100. Although assuming a suitable fixed effective temperature also allows us to outperform one step contrastive divergence (CD-1), only when using an instance-dependent effective temperature do we find a performance close to that of CD-100 for the case studied here., New appendix and figure comparing to other temperature estimation techniques from the statistical physics community. 15 pages, 6 figures

Mainstream machine-learning techniques such as deep learning and probabilistic programming rely heavily on sampling from generally intractable probability distributions. There is increasing interest in the potential advantages of using quantum computing technologies as sampling engines to speed up these tasks or to make them more effective. However, some pressing challenges in state-of-the-art quantum annealers have to be overcome before we can assess their actual performance. The sparse connectivity, resulting from the local interaction between quantum bits in physical hardware implementations, is considered the most severe limitation to the quality of constructing powerful generative unsupervised machine-learning models. Here we use embedding techniques to add redundancy to data sets, allowing us to increase the modeling capacity of quantum annealers. We illustrate our findings by training hardware-embedded graphical models on a binarized data set of handwritten digits and two synthetic data sets in experiments with up to 940 quantum bits. Our model can be trained in quantum hardware without full knowledge of the effective parameters specifying the corresponding quantum Gibbs-like distribution; therefore, this approach avoids the need to infer the effective temperature at each iteration, speeding up learning; it also mitigates the effect of noise in the control parameters, making it robust to deviations from the reference Gibbs distribution. Our approach demonstrates the feasibility of using quantum annealers for implementing generative models, and it provides a suitable framework for benchmarking these quantum technologies on machine-learning-related tasks., Comment: 17 pages, 8 figures. Minor further revisions. As published in Phys. Rev. X