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arXiv:1704.05822 · Journal of Statistical Mechanics Theory and Experiment

Deterministic quantum annealing expectation-maximization algorithm

Hideyuki Miyahara, Koji Tsumura, Yuki Sughiyama

Published Nov 1, 2017• 9 citations
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Abstract

Abstract Maximum likelihood estimation (MLE) is one of the most important methods in machine learning, and the expectation-maximization (EM) algorithm is often used to obtain maximum likelihood estimates. However, EM heavily depends on initial configurations and fails to find the global optimum. On the other hand, in the field of physics, quantum annealing (QA) was proposed as a novel optimization approach. Motivated by QA, we propose a quantum annealing extension of EM, which we call the deterministic quantum annealing expectation-maximization (DQAEM) algorithm. We also discuss its advantage in terms of the path integral formulation. Furthermore, by employing numerical simulations, we illustrate how DQAEM works in MLE and show that DQAEM moderate the problem of local optima in EM.

DOI
10.1088/1742-5468/aa967e

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Abstract Maximum likelihood estimation (MLE) is one of the most important methods in machine learning, and the expectation-maximization (EM) algorithm is often used to obtain maximum likelihood estimates. However, EM heavily depends on initial configurations and fails to find the global optimum. On the other hand, in the field of physics, quantum annealing (QA) was proposed as a novel optimization approach. Motivated by QA, we propose a quantum annealing extension of EM, which we call the deterministic quantum annealing expectation-maximization (DQAEM) algorithm. We also discuss its advantage in terms of the path integral formulation. Furthermore, by employing numerical simulations, we illustrate how DQAEM works in MLE and show that DQAEM moderate the problem of local optima in EM.
We propose a modified expectation-maximization algorithm by introducing the concept of quantum annealing, which we call the deterministic quantum annealing expectation-maximization algorithm (DQAEM). The expectation-maximization algorithm (EM) is an established algorithm to compute maximum likelihood estimates and applied to many practical applications. However, it is known that EM heavily depends on initial values and its estimates are sometimes trapped by local optima. To solve such a problem, quantum annealing (QA) was proposed as a novel optimization approach motivated by quantum mechanics. By employing QA, we then formulate DQAEM and present a theorem that supports its stability. Finally, we demonstrate numerical simulations to confirm its efficiency.
The EM algorithm is a novel numerical method to obtain maximum likelihood estimates and is often used for practical calculations. However, many of maximum likelihood estimation problems are nonconvex, and it is known that the EM algorithm fails to give the optimal estimates by being trapped by local optima. In order to deal with this difficulty, we propose a deterministic quantum annealing EM algorithm by introducing the mathematical mechanism of quantum fluctuations into the conventional EM algorithm because quantum fluctuations induce the tunnel effect and are expected to relax the difficulty of nonconvex optimization problems in the maximum likelihood estimation problems. We show a theorem that guarantees its convergence and give numerical experiments to verify its efficiency.
The Expectation-Maximization (EM) algorithm is a fundamental tool in unsupervised machine learning. It is often used as an efficient way to solve Maximum Likelihood (ML) estimation problems, especially for models with latent variables. It is also the algorithm of choice to fit mixture models: generative models that represent unlabelled points originating from kkk different processes, as samples from kkk multivariate distributions. In this work we define and use a quantum version of EM to fit a Gaussian Mixture Model. Given quantum access to a dataset of nnn vectors of dimension ddd, our algorithm has convergence and precision guarantees similar to the classical algorithm, but the runtime is only polylogarithmic in the number of elements in the training set, and is polynomial in other parameters - as the dimension of the feature space, and the number of components in the mixture. We generalize further the algorithm in two directions. First, we show how to fit any mixture model of probability distributions in the exponential family. Then, we show how to use this algorithm to compute the Maximum a Posteriori (MAP) estimate of a mixture model: the Bayesian approach to likelihood estimation problems. We discuss the performance of the algorithm on a dataset that is expected to be classified successfully by this algorithm, arguing that on those cases we can give strong guarantees on the runtime.
Variational Bayes (VB) inference is one of the most important algorithms in machine learning and is widely used in engineering and industry. However, VB is known to suffer from the problem of local optima. In this paper, we generalize VB by using quantum mechanics and propose an algorithm, which we call quantum annealing variational Bayes (QAVB) inference. We then show that QAVB drastically improves the performance of VB in a clustering problem described by a Gaussian mixture model, which is essentially important from the viewpoint of optimization. Finally, we discuss an intuitive understanding of how QAVB works well.
This paper investigates the application of the Quantum Annealing (QA) algorithm to solve complex optimization problems. The core claim is that simulating a complex optimization problem's local search process through the QA's annealing process can effectively locate global optimal solutions. The mechanism involves mapping the solution space of an optimization problem onto the annealing path of QA, controlling the annealing rate and path to guide the solution towards the optimal point. This research leverages QA's inherent ability to mimic physical annealing, aiming to enhance optimization efficiency and accuracy. We present a framework for formulating and applying QA to various complex problems, highlighting its potential advantages over traditional optimization methods. This work contributes to the growing field of quantum computing by demonstrating a practical approach to tackling challenging optimization tasks. The results suggest that QA can be a viable alternative for achieving superior performance in specific optimization scenarios.
Quantum annealing is a promising tool for solving optimization problems, similar in some ways to the traditional (classical) simulated annealing of Kirkpatrick et al. Simulated annealing takes advantage of thermal fluctuations in order to explore the optimization landscape of the problem at hand, whereas quantum annealing employs quantum fluctuations. Intriguingly, quantum annealing has been proved to be more effective than its classical counterpart in many applications. We illustrate the theory and the practical implementation of both classical and quantum annealing – highlighting the crucial differences between these two methods – by means of results recently obtained in experiments, in simple toy-models, and more challenging combinatorial optimization problems (namely, Random Ising model and Travelling Salesman Problem). The techniques used to implement quantum and classical annealing are either deterministic evolutions, for the simplest models, or Monte Carlo approaches, for harder optimization tasks. We discuss the pro and cons of these approaches and their possible connections to the landscape of the problem addressed.