4 papers
Potentials and challenges of polymer informatics: exploiting machine learning for polymer design
Stephen Wu, Hironao Yamada, Yoshihiro Hayashi +2
There has been rapidly growing demand of polymeric materials coming from different aspects of modern life because of the highly diverse physical and chemical properties of polymers…
A General Class of Transfer Learning Regression without Implementation Cost
Shunya Minami, Song Liu, Stephen Wu +2
We propose a novel framework that unifies and extends existing methods of transfer learning (TL) for regression. To bridge a pretrained source model to the model on a target task,…
A Bayesian algorithm for retrosynthesis
Zhongliang Guo, Stephen Wu, Mitsuru Ohno +1
The identification of synthetic routes that end with a desired product has been an inherently time-consuming process that is largely dependent on expert knowledge regarding a limit…
Recreation of the Periodic Table with an Unsupervised Machine Learning Algorithm
Minoru Kusaba, Chang Liu, Yukinori Koyama +2
In 1869, the first draft of the periodic table was published by Russian chemist Dmitri Mendeleev. In terms of data science, his achievement can be viewed as a successful example of…