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arXiv:2410.12747

Initialization Method for Factorization Machine Based on Low-Rank Approximation for Constructing a Corrected Approximate Ising Model

Yuya Seki, Hyakka Nakada, Shu Tanaka

Published Oct 16, 2024• 0 citations
arXivHTMLPDF

Abstract

This paper presents an initialization method that can approximate a given approximate Ising model with a high degree of accuracy using a factorization machine (FM), a machine learning model. The construction of an Ising models using an FM is applied to black-box combinatorial optimization problems using factorization machine with quantum annealing (FMQA). It is anticipated that the optimization performance of FMQA will be enhanced through an implementation of the warm-start method. Nevertheless, the optimal initialization method for leveraging the warm-start approach in FMQA remains undetermined. Consequently, the present study compares initialization methods based on random initialization and low-rank approximation, and then identifies a suitable one for use with warm-start in FMQA through numerical experiments. Furthermore, the properties of the initialization method by the low-rank approximation for the FM are analyzed using random matrix theory, demonstrating that the approximation accuracy of the proposed method is not significantly influenced by the specific Ising model under consideration. The findings of this study will facilitate advancements of research in the field of black-box combinatorial optimization through the use of Ising machines.

DOI
10.48550/arxiv.2410.12747

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This paper presents an initialization method that can approximate a given approximate Ising model with a high degree of accuracy using a factorization machine (FM), a machine learning model. The construction of an Ising models using an FM is applied to black-box combinatorial optimization problems using factorization machine with quantum annealing (FMQA). It is anticipated that the optimization performance of FMQA will be enhanced through an implementation of the warm-start method. Nevertheless, the optimal initialization method for leveraging the warm-start approach in FMQA remains undetermined. Consequently, the present study compares initialization methods based on random initialization and low-rank approximation, and then identifies a suitable one for use with warm-start in FMQA through numerical experiments. Furthermore, the properties of the initialization method by the low-rank approximation for the FM are analyzed using random matrix theory, demonstrating that the approximation accuracy of the proposed method is not significantly influenced by the specific Ising model under consideration. The findings of this study will facilitate advancements of research in the field of black-box combinatorial optimization through the use of Ising machines.
Black-box optimization (BBO) is used in materials design, drug discovery, and hyperparameter tuning in machine learning. The world is experiencing several of these problems. In this review, a factorization machine with quantum annealing or with quadratic-optimization annealing (FMQA) algorithm to realize fast computations of BBO using Ising machines (IMs) is discussed. The FMQA algorithm uses a factorization machine (FM) as a surrogate model for BBO. The FM model can be directly transformed into a quadratic unconstrained binary optimization model that can be solved using IMs. This makes it possible to optimize the acquisition function in BBO, which is a difficult task using conventional methods without IMs. Consequently, it has the advantage of handling large BBO problems. To be able to perform BBO with the FMQA algorithm immediately, we introduce the FMQA algorithm along with Python packages to run it. In addition, we review examples of applications of the FMQA algorithm in various fields, including physics, chemistry, materials science, and social sciences. These successful examples include binary and integer optimization problems, as well as more general optimization problems involving graphs, networks, and strings, using a binary variational autoencoder. We believe that BBO using the FMQA algorithm will become a key technology in IMs, including quantum annealers.
Solving continuous variable optimization problems by factorization machine quantum annealing (FMQA) demonstrates the potential of Ising machines to be extended as a solver for integer and real optimization problems. However, the details of the Hamiltonian function surface obtained by the factorization machine (FM) have been overlooked. This study shows that in the widely used case where real numbers are represented by a combination of binary variables, the function surface of the Hamiltonian obtained by FM can be very noisy. This noise interferes with the inherent capabilities of quantum annealing and is likely to be a substantial cause of problems previously considered unsolvable because of the limitations of FMQA performance. The origin of the noise is identified and a simple, general method is proposed to prevent its occurrence. The generalization performance of the proposed method and its ability to solve practical problems is demonstrated.
Quantum computing and machine learning are state-of-the-art technologies that have been investigated intensively in both academia and industry. The hybrid technology of these two ingredients is expected to be a powerful tool to solve complex problems in many branches of science and engineering such as combinatorial optimization problems and accelerate the creation of next-generation technologies. In this work, we develop an algorithm to solve a black-box optimization problem by improving Factorization Machine Annealing (FMA) such that the training of a machine learning model called factorization machine is performed not by a full dataset but by a subdataset that is sampled from a full dataset: Subsampling Factorization Machine Annealing (SFMA). According to such a probabilistic training process, the performance of FMA on exploring a solution space gets enhanced. As a result, SFMA exhibits balanced performance of exploration and exploitation, which we call exploitation-exploration functionality. We conduct numerical benchmarking tests to compare the performance of SFMA with that of FMA. Consequently, SFMA certainly exhibits the exploration-exploitation functionality and outperforms FMA in speed and accuracy. In addition, the performance of SFMA can be further improved by sequentially using two subsampling datasets with different sizes such that the size of the latter dataset is substantially smaller than the former. Such a substantial reduction not only enhances the exploration performance of SFMA but also enables us to run it with correspondingly low computational cost even for a large-scale problem. These results indicate the effectiveness of SFMA in a certain class of black-box optimization problems of significant size: the potential scalability of SFMA in solving large-scale problems with correspondingly low computational cost. The exploitation-exploration functionality of SFMA is expected to pave the way for solving various complex combinatorial optimization problems in the real world and designing next-generation technologies that become the basic building blocks for industrial advancements.
Ising machines including quantum annealers have attracted attention as efficient solvers for combinatorial optimization problems (COPs). To use Ising machines, the objective function and constraints of a COP must be expressed in a QUBO (quadratic unconstrained binary optimization) form. However, their application range is practically limited since some COPs are difficult to formulate in a QUBO form, or require a large number of binary variables. Quadratic three-dimensional assignment problem (Q3AP) is a challenging problem for Ising machines to solve since the number of required binary variables rapidly increases with the problem size N. In this paper, to overcome the difficulty, we propose a method to reduce the number of necessary variables fromN3N^{3}N3to2N22N^{2}2N2by using a factorization machine with quantum annealing (FMQA) to estimate QUBO through machine learning. Experimental results with a real Ising machine demonstrate that the proposed method can obtain the best-known solution in a short time.
Black-box optimization has potential in numerous applications such as hyperparameter optimization in machine learning and optimization in design of experiments. Ising machines are useful for binary optimization problems because variables can be represented by a single binary variable of Ising machines. However, conventional approaches using an Ising machine cannot handle black-box optimization problems with non-binary values. To overcome this limitation, we propose an approach for integer-variable black-box optimization problems by using Ising/annealing machines and factorization machines in cooperation with three different integer-encoding methods. The performance of our approach is numerically evaluated with different encoding methods using a simple problem of calculating the energy of the hydrogen molecule in the most stable state. The proposed approach can calculate the energy using any of the integer-encoding methods. However, one-hot encoding is useful for problems with a small size.
Quantum annealing has garnered significant attention as meta-heuristics inspired by quantum physics for combinatorial optimization problems. Among its many applications, nonnegative/binary matrix factorization stands out for its complexity and relevance in unsupervised machine learning. The use of reverse annealing, a derivative procedure of quantum annealing to prioritize the search in a vicinity under a given initial state, helps improve its optimization performance in matrix factorization. This study proposes an improved strategy that integrates reverse annealing with a linear programming relaxation technique. Using relaxed solutions as the initial configuration for reverse annealing, we demonstrate improvements in optimization performance comparable to the exact optimization methods. Our experiments on facial image datasets show that our method provides better convergence than known reverse annealing methods. Furthermore, we investigate the effectiveness of relaxation-based initialization methods on randomized datasets, demonstrating a relationship between the relaxed solution and the optimal solution. This research underscores the potential of combining reverse annealing and classical optimization strategies to enhance optimization performance.