3 papers
cond-mat.mtrl-sci2025
Accurate predictive model of band gap with selected important features based on explainable machine learning
Joohwi Lee, Kaito Miyamoto
In the rapidly advancing field of materials informatics, nonlinear machine learning models have demonstrated exceptional predictive capabilities for material properties. However, t…
cond-mat.mtrl-sci2023
Creation of crystal structure reproducing X-ray diffraction pattern without using database
Joohwi Lee, Junpei Oba, Nobuko Ohba +1
When a sample's X-ray diffraction pattern (XRD) is measured, the corresponding crystal structure is usually determined by searching for similar XRD patterns in the database. Howeve…
cond-mat.mtrl-sci2020
Transfer learning for materials informatics using crystal graph convolutional neural network
Joohwi Lee, Ryoji Asahi
For successful applications of machine learning in materials informatics, it is necessary to overcome the inaccuracy of predictions ascribed to insufficient amount of data. In this…