Yoh-ichi Mototake

Y-h. Taguchi, Yoh-ichi Mototake

In this paper, we proposed Bayesian Tucker decomposition (BTuD) in which residual is supposed to obey Gaussian distribution analogous to linear regression. Although we have proposed an algorithm to perform the proposed BTuD, the conventional higher-order orthogonal iteration can generate Tucker decomposition consistent with the present implementation. Using the proposed BTuD, we can perform unsupervised feature selection successfully applied to various synthetic datasets, global coupled maps with randomized coupling strength, and gene expression profiles. Thus we can conclude that our newly proposed unsupervised feature selection method is promising. In addition to this, BTuD based unsupervised FE is expected to coincide with TD based unsupervised FE that were previously proposed and successfully applied to a wide range of problems.

Yoh-ichi Mototake, Makoto Sasaki

Physics-informed machine learning (PIML) integrates partial differential equations (PDEs) into machine learning models to solve inverse problems, such as estimating coefficient functions (e.g., the Hamiltonian function) that characterize physical systems. This framework enables data-driven understanding and prediction of complex physical phenomena. While coefficient functions in PIML are typically estimated on the basis of predictive performance, physics as a discipline does not rely solely on prediction accuracy to evaluate models. For example, Kepler's heliocentric model was favored owing to small discrepancies in planetary motion, despite its similar predictive accuracy to the geocentric model. This highlights the inherent uncertainties in data-driven model inference and the scientific importance of selecting physically meaningful solutions. In this paper, we propose a framework to quantify and analyze such uncertainties in the estimation of coefficient functions in PIML. We apply our framework to reduced model of magnetohydrodynamics and our framework shows that there are uncertainties, and unique identification is possible with geometric constraints. Finally, we confirm that we can estimate the reduced model uniquely by incorporating these constraints.

Akifumi Okuno, Yuya Morishita, Yoh-ichi Mototake

This study delves into the domain of dynamical systems, specifically the forecasting of dynamical time series defined through an evolution function. Traditional approaches in this area predict the future behavior of dynamical systems by inferring the evolution function. However, these methods may confront obstacles due to the presence of missing variables, which are usually attributed to challenges in measurement and a partial understanding of the system of interest. To overcome this obstacle, we introduce the autoregressive with slack time series (ARS) model, that simultaneously estimates the evolution function and imputes missing variables as a slack time series. Assuming time-invariance and linearity in the (underlying) entire dynamical time series, our experiments demonstrate the ARS model's capability to forecast future time series. From a theoretical perspective, we prove that a 2-dimensional time-invariant and linear system can be reconstructed by utilizing observations from a single, partially observed dimension of the system.

Yoh-ichi Mototake

Understanding complex systems with their reduced model is one of the central roles in scientific activities. Although physics has greatly been developed with the physical insights of physicists, it is sometimes challenging to build a reduced model of such complex systems on the basis of insights alone. We propose a novel framework that can infer the hidden conservation laws of a complex system from deep neural networks (DNNs) that have been trained with physical data of the system. The purpose of the proposed framework is not to analyze physical data with deep learning, but to extract interpretable physical information from trained DNNs. With Noether's theorem and by an efficient sampling method, the proposed framework infers conservation laws by extracting symmetries of dynamics from trained DNNs. The proposed framework is developed by deriving the relationship between a manifold structure of time-series dataset and the necessary conditions for Noether's theorem. The feasibility of the proposed framework has been verified in some primitive cases for which the conservation law is well known. We also apply the proposed framework to conservation law estimation for a more practical case that is a large-scale collective motion system in the metastable state, and we obtain a result consistent with that of a previous study.

Kenji Fukumizu, Shoichiro Yamaguchi, Yoh-ichi Mototake et al.

We theoretically study the landscape of the training error for neural networks in overparameterized cases. We consider three basic methods for embedding a network into a wider one with more hidden units, and discuss whether a minimum point of the narrower network gives a minimum or saddle point of the wider one. Our results show that the networks with smooth and ReLU activation have different partially flat landscapes around the embedded point. We also relate these results to a difference of their generalization abilities in overparameterized realization.

Kenji Nagata, Yoh-ichi Mototake, Rei Muraoka et al.

In this paper, we propose a new method of Bayesian measurement for spectral deconvolution, which regresses spectral data into the sum of unimodal basis function such as Gaussian or Lorentzian functions. Bayesian measurement is a framework for considering not only the target physical model but also the measurement model as a probabilistic model, and enables us to estimate the parameter of a physical model with its confidence interval through a Bayesian posterior distribution given a measurement data set. The measurement with Poisson noise is one of the most effective system to apply our proposed method. Since the measurement time is strongly related to the signal-to-noise ratio for the Poisson noise model, Bayesian measurement with Poisson noise model enables us to clarify the relationship between the measurement time and the limit of estimation. In this study, we establish the probabilistic model with Poisson noise for spectral deconvolution. Bayesian measurement enables us to perform virtual and computer simulation for a certain measurement through the established probabilistic model. This property is called "Virtual Measurement Analytics(VMA)" in this paper. We also show that the relationship between the measurement time and the limit of estimation can be extracted by using the proposed method in a simulation of synthetic data and real data for XPS measurement of MoS$_2$.