Conference
Daiki Koge, Naoaki Ono, Shigehiko Kanaya, Variational Autoencoding Molecular Graphs With Denoising Diffusion Probabilistic Model", IEEE CIBCB 2023, August 2023 (査読付き, ポスター発表）[Preprint]
Daiki Koge, Naoaki Ono, MD. Altaf-Ul-Amin, Shigehiko Kanaya, Ming Huang, “Improving Molecular Latent Space Using Deep Metric Learning”, Computational Chemistry Gordon Research Conference, July, 2020 (査読付き, ポスター発表, コロナウィルス感染拡大予防のため中止）
Journal
Daiki Koge, Naoaki Ono, MD. Altaf-Ul-Amin, Shigehiko Kanaya, Ming Huang, “Embedding of Molecular Structure Using Molecular Hypergraph Variational Autoencoder with Metric Learning”, Molecular Informatics, November 2020. (査読付き) [Link] (Top cited paper among work pulished in an issue between 1 January 2021 - 15 December 2022. [Link])
Yuri Koide, Daiki Koge, Shigehiko Kanaya, Md. Altaf-Ul-Amin, Ming Huang, Aki Hirai Morita, Naoaki Ono, "Classification of metabolites by metabolic pathways concerning terpenoids, phenylpropanoids, and polyketide compounds based on machine learning", Journal of Computer Aided Chemistry Vol. 23, 2023. (査読付き) [Link]
Books
データ駆動型材料開発 ~ オントロジーとマイニング、計測と実験装置の自動制御 ~
第４章：構造・物性探索と機械学習