Kazuyuki Tanaka

Kazuyuki Tanaka, Hiroto Imachi, Tomoya Fukumoto et al.

An open-source middleware EigenKernel was developed for use with parallel generalized eigenvalue solvers or large-scale electronic state calculation to attain high scalability and usability. The middleware enables the users to choose the optimal solver, among the three parallel eigenvalue libraries of ScaLAPACK, ELPA, EigenExa and hybrid solvers constructed from them, according to the problem specification and the target architecture. The benchmark was carried out on the Oakforest-PACS supercomputer and reveals that ELPA, EigenExa and their hybrid solvers show better performance, when compared with pure ScaLAPACK solvers. The benchmark on the K computer is also used for discussion. In addition, a preliminary research for the performance prediction was investigated, so as to predict the elapsed time T as the function of the number of used nodes P (T=T(P)). The prediction is based on Bayesian inference using the Markov Chain Monte Carlo (MCMC) method and the test calculation indicates that the method is applicable not only to performance interpolation but also to extrapolation. Such a middleware is of crucial importance for application-algorithm-architecture co-design among the current, next-generation (exascale), and future-generation (post-Moore era) supercomputers.

Renichiro Haba, Masayuki Ohzeki, Kazuyuki Tanaka

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.

Takehito Sato, Masayuki Ohzeki, Kazuyuki Tanaka

Quantum annealing was originally proposed as an approach for solving combinatorial optimisation problems using quantum effects. D-Wave Systems has released a production model of quantum annealing hardware. However, the inherent noise and various environmental factors in the hardware hamper the determination of optimal solutions. In addition, the freezing effect in regions with weak quantum fluctuations generates outputs approximately following a Gibbs--Boltzmann distribution at an extremely low temperature. Thus, a quantum annealer may also serve as a fast sampler for the Ising spin-glass problem, and several studies have investigated Boltzmann machine learning using a quantum annealer. Previous developments have focused on comparing the performance in the standard distance of the resulting distributions between conventional methods in classical computers and sampling by a quantum annealer. In this study, we focused on the performance of a quantum annealer as a generative model. To evaluate its performance, we prepared a discriminator given by a neural network trained on an a priori dataset. The evaluation results show a higher performance of quantum annealing compared with the classical approach for Boltzmann machine learning.

Kazuyuki Tanaka, Masamichi Nakamura, Shun Kataoka et al.

A new Bayesian modeling method is proposed by combining the maximization of the marginal likelihood with a momentum-space renormalization group transformation for Gaussian graphical models. Moreover, we present a scheme for computint the statistical averages of hyperparameters and mean square errors in our proposed method based on a momentumspace renormalization transformation.

Shunta Arai, Masayuki Ohzeki, Kazuyuki Tanaka

We detect the quantum phase transition of a quantum many-body system by mapping the observed results of the quantum state onto a neural network. In the present study, we utilized the simplest case of a quantum many-body system, namely a one-dimensional chain of Ising spins with the transverse Ising model. We prepared several spin configurations, which were obtained using repeated observations of the model for a particular strength of the transverse field, as input data for the neural network. Although the proposed method can be employed using experimental observations of quantum many-body systems, we tested our technique with spin configurations generated by a quantum Monte Carlo simulation without initial relaxation. The neural network successfully classified the strength of transverse field only from the spin configurations, leading to consistent estimations of the critical point of our model $Γ_c =J$.

Muneki Yasuda, Kazuyuki Tanaka

A susceptibility propagation that is constructed by combining a belief propagation and a linear response method is used for approximate computation for Markov random fields. Herein, we formulate a new, improved susceptibility propagation by using the concept of a diagonal matching method that is based on mean-field approaches to inverse Ising problems. The proposed susceptibility propagation is robust for various network structures, and it is reduced to the ordinary susceptibility propagation and to the adaptive Thouless-Anderson-Palmer equation in special cases.

Muneki Yasuda, Junpei Watanabe, Shun Kataoka et al.

In this paper, we consider Bayesian image denoising based on a Gaussian Markov random field (GMRF) model, for which we propose an new algorithm. Our method can solve Bayesian image denoising problems, including hyperparameter estimation, in $O(n)$-time, where $n$ is the number of pixels in a given image. From the perspective of the order of the computational time, this is a state-of-the-art algorithm for the present problem setting. Moreover, the results of our numerical experiments we show our method is in fact effective in practice.

Shun Kataoka, Takuto Kobayashi, Muneki Yasuda et al.

We propose a new algorithm to detect the community structure in a network that utilizes both the network structure and vertex attribute data. Suppose we have the network structure together with the vertex attribute data, that is, the information assigned to each vertex associated with the community to which it belongs. The problem addressed this paper is the detection of the community structure from the information of both the network structure and the vertex attribute data. Our approach is based on the Bayesian approach that models the posterior probability distribution of the community labels. The detection of the community structure in our method is achieved by using belief propagation and an EM algorithm. We numerically verified the performance of our method using computer-generated networks and real-world networks.

Muneki Yasuda, Shun Kataoka, Kazuyuki Tanaka

Loopy belief propagation (LBP), which is equivalent to the Bethe approximation in statistical mechanics, is a message-passing-type inference method that is widely used to analyze systems based on Markov random fields (MRFs). In this paper, we propose a message-passing-type method to analytically evaluate the quenched average of LBP in random fields by using the replica cluster variation method. The proposed analytical method is applicable to general pair-wise MRFs with random fields whose distributions differ from each other and can give the quenched averages of the Bethe free energies over random fields, which are consistent with numerical results. The order of its computational cost is equivalent to that of standard LBP. In the latter part of this paper, we describe the application of the proposed method to Bayesian image restoration, in which we observed that our theoretical results are in good agreement with the numerical results for natural images.

Kazuyuki Tanaka, Shun Kataoka, Muneki Yasuda et al.

A new Bayesian image segmentation algorithm is proposed by combining a loopy belief propagation with an inverse real space renormalization group transformation to reduce the computational time. In results of our experiment, we observe that the proposed method can reduce the computational time to less than one-tenth of that taken by conventional Bayesian approaches.

Muneki Yasuda, Shun Kataoka, Yuji Waizumi et al.

Learning the parameters of graphical models using the maximum likelihood estimation is generally hard which requires an approximation. Maximum composite likelihood estimations are statistical approximations of the maximum likelihood estimation which are higher-order generalizations of the maximum pseudo-likelihood estimation. In this paper, we propose a composite likelihood method and investigate its property. Furthermore, we apply our composite likelihood method to restricted Boltzmann machines.

Shun Kataoka, Muneki Yasuda, Kazuyuki Tanaka

We focus on an interpolation method referred to Bayesian reconstruction in this paper. Whereas in standard interpolation methods missing data are interpolated deterministically, in Bayesian reconstruction, missing data are interpolated probabilistically using a Bayesian treatment. In this paper, we address the framework of Bayesian reconstruction and its application to the traffic data reconstruction problem in the field of traffic engineering. In the latter part of this paper, we describe the evaluation of the statistical performance of our Bayesian traffic reconstruction model using a statistical mechanical approach and clarify its statistical behavior.

Kazuyuki Tanaka, Shun Kataoka, Muneki Yasuda et al.

This paper presents a Bayesian image segmentation model based on Potts prior and loopy belief propagation. The proposed Bayesian model involves several terms, including the pairwise interactions of Potts models, and the average vectors and covariant matrices of Gauss distributions in color image modeling. These terms are often referred to as hyperparameters in statistical machine learning theory. In order to determine these hyperparameters, we propose a new scheme for hyperparameter estimation based on conditional maximization of entropy in the Potts prior. The algorithm is given based on loopy belief propagation. In addition, we compare our conditional maximum entropy framework with the conventional maximum likelihood framework, and also clarify how the first order phase transitions in LBP's for Potts models influence our hyperparameter estimation procedures.

Shun Kataoka, Muneki Yasuda, Cyril Furtlehner et al.

We consider the traffic data reconstruction problem. Suppose we have the traffic data of an entire city that are incomplete because some road data are unobserved. The problem is to reconstruct the unobserved parts of the data. In this paper, we propose a new method to reconstruct incomplete traffic data collected from various traffic sensors. Our approach is based on Markov random field modeling of road traffic. The reconstruction is achieved by using mean-field method and a machine learning method. We numerically verify the performance of our method using realistic simulated traffic data for the real road network of Sendai, Japan.