Toward excellence of electrocatalyst design by emerging descriptor‐oriented machine learning

J Liu, W Luo, L Wang, J Zhang, XZ Fu… - Advanced Functional …, 2022 - Wiley Online Library
Abstract Machine learning (ML) is emerging as a powerful tool for identifying quantitative
structure–activity relationships to accelerate electrocatalyst design by learning from historic …

Machine learning for catalysis informatics: recent applications and prospects

T Toyao, Z Maeno, S Takakusagi, T Kamachi… - Acs …, 2019 - ACS Publications
The discovery and development of catalysts and catalytic processes are essential
components to maintaining an ecological balance in the future. Recent revolutions made in …

Sparse modeling in quantum many-body problems

J Otsuki, M Ohzeki, H Shinaoka… - journal of the physical …, 2020 - journals.jps.jp
This review paper describes the basic concept and technical details of sparse modeling and
its applications to quantum many-body problems. Sparse modeling refers to methodologies …

Measurement informatics in synchrotron radiation x-ray spectroscopy

T Ueno, H Iwasawa - Synchrotron Radiation News, 2022 - Taylor & Francis
Measurement is essential in science and industry. In materials science, materials' physical
and chemical properties are measured using various probes. Synchrotron radiation (SR) …

Sparse phase retrieval algorithm for observing isolated magnetic skyrmions by coherent soft X-ray diffraction imaging

Y Yokoyama, T Arima, M Okada… - Journal of the Physical …, 2019 - journals.jps.jp
A magnetic skyrmion, a topological magnetic structure on nanometric spatial scale, behaves
like an isolated particle in a magnetic material. Investigating the response of a skyrmion to …

[HTML][HTML] Bayesian sparse modeling of extended x-ray absorption fine structure to determine interstitial oxygen positions in yttrium oxyhydride epitaxial thin film

H Kumazoe, Y Igarashi, F Iesari, R Shimizu… - AIP Advances, 2021 - pubs.aip.org
This article presents a Bayesian sparse modeling method to analyze extended x-ray
absorption fine structure (EXAFS) data with basis functions built on two-body signals. This …

Phase retrieval of electron rocking curves using total variation and total squared variation regularizations

A Shichi, H Ishizuka, K Saitoh - Microscopy, 2024 - academic.oup.com
In this study, a new method for the phase retrieval of electron rocking curves observed using
convergent-beam electron diffraction, which is applicable to the determination of three …

Extracting Local Symmetry of Mono-Atomic Systems from Extended X-ray Absorption Fine Structure Using Deep Neural Networks

F Iesari, H Setoyama, T Okajima - Symmetry, 2021 - mdpi.com
In recent years, neural networks have become a new method for the analysis of extended X-
ray absorption fine structure data. Due to its sensitivity to local structure, X-ray absorption …

Compressed Sensing of Compton Profiles for Fermi Surface Reconstruction: Concept and Implementation

J Otsuki, K Yoshimi, Y Nakanishi-Ohno… - arXiv preprint arXiv …, 2022 - arxiv.org
Compton scattering is a well-established technique that can provide detailed information
about electronic states in solids. Making use of the principle of tomography, it is possible to …

Application of Sparse Modeling to Extended X-ray Absorption Fine Structure Spectra of Transition Metals

H Setoyama, I Akai, K Iwamitsu, Y Miyata… - Journal of the Physical …, 2020 - journals.jps.jp
In various transition metals with different crystal structures, we have demonstrated the
validity of sparse modeling (SpM) for the analysis of extended X-ray absorption fine structure …