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Highlights in Science Engineering and Technology

Quantum computation of Restricted Boltzmann Machines by Monte Carlo Methods

Yunkai Yao

Published Sep 30, 2022• 0 citations
Publisher

Abstract

In recent years, the diversification of problems that require computers to solve has attracted attention to the construction of meta-heuristics that can be applied to a wide range of problems, and to specialized computers that implement these meta-heuristics in their devices. The representative meta-heuristics are Simulated Annealing (SA) and its extension to quantum computation, Quantum Annealing (QA), and its path-integral Monte Carlo method for classical simulation Crosson and Harrow showed that for certain problems where QA outperformed SA, SQA achieved performance close to that of QA, and SQA sometimes outperformed SA by an exponential time factor. On the other hand, it remains unclear whether SQA can work efficiently on a wide range of other problems. In this study, we experimentally compared SA and SQA on instances of the restricted Boltzmann machine RBM, known as a fundamental building block in deep learning, and 3SAT, a fundamental combinatorial optimization problem. The results show that SQA gives slightly better solutions than SA as the problem size increases for RBM in terms of both accuracy and computation time in our setting, but the opposite trend is observed for 3SAT, indicating that there is no significant difference between the two methods. From the viewpoint of artificial intelligence research, it is necessary to further examine whether deep learning can be made more efficient by applying QA and SQA to RBM.

DOI
10.54097/hset.v9i.1780

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In recent years, the diversification of problems that require computers to solve has attracted attention to the construction of meta-heuristics that can be applied to a wide range of problems, and to specialized computers that implement these meta-heuristics in their devices. The representative meta-heuristics are Simulated Annealing (SA) and its extension to quantum computation, Quantum Annealing (QA), and its path-integral Monte Carlo method for classical simulation Crosson and Harrow showed that for certain problems where QA outperformed SA, SQA achieved performance close to that of QA, and SQA sometimes outperformed SA by an exponential time factor. On the other hand, it remains unclear whether SQA can work efficiently on a wide range of other problems. In this study, we experimentally compared SA and SQA on instances of the restricted Boltzmann machine RBM, known as a fundamental building block in deep learning, and 3SAT, a fundamental combinatorial optimization problem. The results show that SQA gives slightly better solutions than SA as the problem size increases for RBM in terms of both accuracy and computation time in our setting, but the opposite trend is observed for 3SAT, indicating that there is no significant difference between the two methods. From the viewpoint of artificial intelligence research, it is necessary to further examine whether deep learning can be made more efficient by applying QA and SQA to RBM.
In recent years, deep learning has had a profound impact on machine learning and artificial intelligence. At the same time, algorithms for quantum computers have been shown to efficiently solve some problems that are intractable on conventional, classical computers. We show that quantum computing not only reduces the time required to train a deep restricted Boltzmann machine, but also provides a richer and more comprehensive framework for deep learning than classical computing and leads to significant improvements in the optimization of the underlying objective function. Our quantum methods also permit efficient training of full Boltzmann machines and multi-layer, fully connected models and do not have well known classical counterparts.
Abstract The field of Quantum Computing has gathered significant popularity in recent years and a large number of papers have studied its effectiveness in tackling many tasks. We focus in particular on Quantum Annealing (QA), a meta-heuristic solver for Quadratic Unconstrained Binary Optimization (QUBO) problems. It is known that the effectiveness of QA is dependent on the task itself, as is the case for classical solvers, but there is not yet a clear understanding of which are the characteristics of a problem that make it difficult to solve with QA. In this work, we propose a new methodology to study the effectiveness of QA based on meta-learning models. To do so, we first build a dataset composed of more than five thousand instances of ten different optimization problems. We define a set of more than a hundred features to describe their characteristics and solve them with both QA and three classical solvers. We publish this dataset online for future research. Then, we train multiple meta-models to predict whether QA would solve that instance effectively and use them to probe which features with the strongest impact on the effectiveness of QA. Our results indicate that it is possible to accurately predict the effectiveness of QA, validating our methodology. Furthermore, we observe that the distribution of the problem coefficients representing the bias and coupling terms is very informative in identifying the probability of finding good solutions, while the density of these coefficients alone is not enough. The methodology we propose allows to open new research directions to further our understanding of the effectiveness of QA, by probing specific dimensions or by developing new QUBO formulations that are better suited for the particular nature of QA. Furthermore, the proposed methodology is flexible and can be extended or used to study other quantum or classical solvers.
This article considers quantum annealing in the Ising framework for solving combinatorial optimization problems. The path-integral Monte Carlo simulation approach is often used to approximate quantum annealing and implement the approximation by classical computers, which refers to simulated quantum annealing (SQA). In this article, we introduce a data augmentation scheme into SQA and develop a new algorithm for its implementation. The proposed algorithm reveals new insights on the sampling behaviors in SQA. Theoretical analyses are established to justify the algorithm, and numerical studies are conducted to check its performance and to confirm the theoretical findings. Supplementary materials for this article are available online.
In recent years, deep learning has had a profound impact on machine learning and artificial intelligence. At the same time, algorithms for quantum computers have been shown to efficiently solve some problems that are intractable on conventional, classical computers. We show that quantum computing not only reduces the time required to train a deep restricted Boltzmann machine, but also provides a richer and more comprehensive framework for deep learning than classical computing and leads to significant improvements in the optimization of the underlying objective function. Our quantum methods also permit efficient training of multilayer and fully connected models.
Restricted Boltzmann machines are common machine learning models that can utilize quantum annealing devices in their training processes as quantum samplers. While this approach has shown promise as an alternative to classical sampling methods, the limitations of quantum annealing hardware, such as the number of qubits and the lack of connectivity between the qubits, still pose a barrier to wide-scale adoption. We propose the use of multiple software techniques such as dropout method, passive labeling, and parallelization techniques for addressing these hardware limitations. The study found that using these techniques along with quantum sampling showed comparable results to its classical counterparts in certain contexts, while in others the increased complexity of the sampling process hindered the performance of the trained models. This means that further research into the behavior of quantum sampling needs to be done to apply quantum annealing to training tasks of more complicated RBM models.
This paper explores the applications of quantum annealing (QA) and classical simulated annealing (SA) to a suite of combinatorial optimization problems in machine learning, namely feature selection, instance selection, and clustering. We formulate each task as a Quadratic Unconstrained Binary Optimization (QUBO) problem and implement both quantum and classical solvers to compare their effectiveness. For feature selection, we propose several QUBO configurations that balance feature importance and redundancy, showing that quantum annealing (QA) produces solutions that are computationally more efficient. In instance selection, we propose a few novel heuristics for instance-level importance measures that extend existing methods. For clustering, we embed a classical-to-quantum pipeline, using classical clustering followed by QUBO-based medoid refinement, and demonstrate consistent improvements in cluster compactness and retrieval metrics. Our results suggest that QA can be a competitive and efficient tool for discrete machine learning optimization, even within the constraints of current quantum hardware.