Recent progress implies that a crossover between machine learning and quantum information processing benefits both fields. Traditional machine learning has dramatically improved the benchmarking an ...

Quantum machine learning

Machine learning (ML) encompasses a broad range of algorithms and modeling tools used for a vast array of data processing tasks, which has entered most scientific disciplines in recent years. This article reviews in a selective way the recent research on the interface between machine learning and the physical sciences. This includes conceptual developments in ML motivated by physical insights, applications of machine learning techniques to several domains in physics, and cross fertilization between the two fields. After giving a basic notion of machine learning methods and principles, examples are described of how statistical physics is used to understand methods in ML. This review then describes applications of ML methods in particle physics and cosmology, quantum many-body physics, quantum computing, and chemical and material physics. Research and development into novel computing architectures aimed at accelerating ML are also highlighted. Each of the sections describe recent successes as well as domain-specific methodology and challenges.

Machine learning and the physical sciences

One of the most promising suggested applications of quantum computing is solving classically intractable chemistry problems. This may help to answer unresolved questions about phenomena such as high temperature superconductivity, solid-state physics, transition metal catalysis, and certain biochemical reactions. In turn, this increased understanding may help us to refine, and perhaps even one day design, new compounds of scientific and industrial importance. However, building a sufficiently large quantum computer will be a difficult scientific challenge. As a result, developments that enable these problems to be tackled with fewer quantum resources should be considered important. Driven by this potential utility, quantum computational chemistry is rapidly emerging as an interdisciplinary field requiring knowledge of both quantum computing and computational chemistry. This review provides a comprehensive introduction to both computational chemistry and quantum computing, bridging the current knowledge gap. Major developments in this area are reviewed, with a particular focus on near-term quantum computation. Illustrations of key methods are provided, explicitly demonstrating how to map chemical problems onto a quantum computer, and how to solve them. The review concludes with an outlook on this nascent field.

Quantum computational chemistry

A basic idea of quantum computing is surprisingly similar to that of kernel methods in machine learning, namely, to efficiently perform computations in an intractably large Hilbert space. In this Letter we explore some theoretical foundations of this link and show how it opens up a new avenue for the design of quantum machine learning algorithms. We interpret the process of encoding inputs in a quantum state as a nonlinear feature map that maps data to quantum Hilbert space. A quantum computer can now analyze the input data in this feature space. Based on this link, we discuss two approaches for building a quantum model for classification. In the first approach, the quantum device estimates inner products of quantum states to compute a classically intractable kernel. The kernel can be fed into any classical kernel method such as a support vector machine. In the second approach, we use a variational quantum circuit as a linear model that classifies data explicitly in Hilbert space. We illustrate these ideas with a feature map based on squeezing in a continuous-variable system, and visualize the working principle with two-dimensional minibenchmark datasets.

Quantum Machine Learning in Feature Hilbert Spaces

Applications such as simulating complicated quantum systems or solving large-scale linear algebra problems are very challenging for classical computers due to the extremely high computational cost. Quantum computers promise a solution, although fault-tolerant quantum computers will likely not be available in the near future. Current quantum devices have serious constraints, including limited numbers of qubits and noise processes that limit circuit depth. Variational Quantum Algorithms (VQAs), which use a classical optimizer to train a parametrized quantum circuit, have emerged as a leading strategy to address these constraints. VQAs have now been proposed for essentially all applications that researchers have envisioned for quantum computers, and they appear to the best hope for obtaining quantum advantage. Nevertheless, challenges remain including the trainability, accuracy, and efficiency of VQAs. Here we overview the field of VQAs, discuss strategies to overcome their challenges, and highlight the exciting prospects for using them to obtain quantum advantage.

Variational Quantum Algorithms

The combination of quantum and classical computational resources towards more effective algorithms is one of the most promising research directions in computer science. In such a hybrid framework, existing quantum computers can be used to their fullest extent and for practical applications. Generative modeling is one of the applications that could benefit the most, either by speeding up the underlying sampling methods or by unlocking more general models. In this work, we design a number of hybrid generative models and validate them on real hardware and datasets. The quantum-assisted Boltzmann machine is trained to generate realistic artificial images on quantum annealers. Several challenges in state-of-the-art annealers shall be overcome before one can assess their actual performance. We attack some of the most pressing challenges such as the sparse qubit-to-qubit connectivity, the unknown effective-temperature, and the noise on the control parameters. In order to handle datasets of realistic size and complexity, we include latent variables and obtain a more general model called the quantum-assisted Helmholtz machine. In the context of gate-based computers, the quantum circuit Born machine is trained to encode a target probability distribution in the wavefunction of a set of qubits. We implement this model on a trapped ion computer using low-depth circuits and native gates. We use the generative modeling performance on the canonical Bars-and-Stripes dataset to design a benchmark for hybrid systems. It is reasonable to expect that quantum data, i.e., datasets of wavefunctions, will become available in the future. We derive a quantum generative adversarial network that works with quantum data. Here, two circuits are optimized in tandem: one tries to generate suitable quantum states, the other tries to distinguish between target and generated states.

Quantum-classical generative models for machine learning

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.

Bayesian learning of parameterised quantum circuits

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Quantum-assisted learning of graphical models with arbitrary pairwise connectivity

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.

Filtering variational quantum algorithms for combinatorial optimization

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.

Marcello Benedetti

Papers

Quantum-classical generative models for machine learning

Bayesian learning of parameterised quantum circuits

Quantum-assisted learning of graphical models with arbitrary pairwise connectivity

Filtering variational quantum algorithms for combinatorial optimization

Estimation of effective temperatures in quantum annealers for sampling applications: A case study towards deep learning