Publication

Physics-inspired transformer quantum states via latent imaginary-time evolution

Kimihiro Yamazaki, Itsushi Sakata, Takuya Konishi, Yoshinobu Kawahara

Physical Review Research 8(3)

Generation of conformational energy landscape from lactoferrin cryo-EM images with mitigated preferred orientations by cryoTWIN

Mutsuyo Wada, Kimihiro Yamazaki, Yuichiro Wada, Kento Ohga, Yoshiyuki Ishii, Akira Nakagawa, Hiyori Yoshikawa, Shingo Okuno, Tatsuya Nojima, Hiroshi Ochi …

Eighth International Conference on Intelligent Medicine and Image Processing (IMIP 2026), 11–11

Digital twin of biomacromolecular thermodynamics in cryo-EM data

Kimihiro Yamazaki, Mutsuyo Wada, Yuichiro Wada, Atsushi Tokuhisa, Kento Ohga, Akira Nakagawa, Yoshinobu Akinaga, Yoko Sasakura, Takashi Katoh, Shigeyuki Matsumoto …

Communications Chemistry

Explorative Curriculum Learning for Strongly Correlated Electron Systems

Kimihiro Yamazaki, Takuya Konishi, Yoshinobu Kawahara

ACM Transactions on AI for Science (accepted)

Chemical Genomics Language Model toward Reliable and Explainable Compound-Protein Interaction Exploration

Takuto Koyama, Hayato Tsumura, Ryunosuke Okita, Kimihiro Yamazaki, Aki Hasegawa, Keiko Imamura, Takashi Kato, Hiroaki Iwata, Ryosuke Kojima, Haruhisa Inoue …

Journal of Cheminformatics 18, 29

Weight-sharing Transformer quantum states with Suzuki–Trotter decompositions

Kimihiro Yamazaki, Itsushi Sakata, Takuya Konishi, Yoshinobu Kawahara

Machine Learning and the Physical Sciences Workshop at the 39th Conference on Neural Information Processing Systems (NeurIPS)

Generating Free-energy Landscapes and Mapping Conformational Transition Pathways from cryo-EM Images using a Deep Isometric Autoencoder

Kimihiro Yamazaki, Mutsuyo Wada, Yuichiro Wada, Atsushi Tokuhisa, Kento Ohga, Akira Nakagawa, Yoshinobu Akinaga, Yoko Sasakura, Takashi Katoh, Shigeyuki Matsumoto …

Investigating self-supervised image denoising with denaturation.

Hiroki Waida, Kimihiro Yamazaki, Atsushi Tokuhisa, Mutsuyo Wada, Yuichiro Wada

Neural Networks 184, 106966–106966

Robust VAEs via Generating Process of Noise Augmented Data.

Hiroo Irobe, Wataru Aoki, Kimihiro Yamazaki, Yuhui Zhang, Takumi Nakagawa, Hiroki Waida, Yuichiro Wada, Takafumi Kanamori

IEEE International Symposium on Information Theory (ISIT), 587–592

Deep Mapper: Efficient Visualization of Plausible Conformational Pathways.

Ziyad Oulhaj, Yoshiyuki Ishii, Kento Ohga, Kimihiro Yamazaki, Mutsuyo Wada, Yuhei Umeda, Takashi Katoh, Yuichiro Wada, Hiroaki Kurihara

ECAI 2024 — 27th European Conference on Artificial Intelligence, 2701–2708

An Auto-Encoder to Reconstruct Structure with Cryo-EM Images via Theoretically Guaranteed Isometric Latent Space, and Its Application for Automatically Computing the Conformational Pathway.

Kimihiro Yamazaki, Yuichiro Wada, Atsushi Tokuhisa, Mutsuyo Wada, Takashi Katoh, Yuhei Umeda, Yasushi Okuno, Akira Nakagawa

Medical Image Computing and Computer Assisted Intervention — MICCAI 2023, 394–404

Superconducting mechanism for the cuprate Ba2CuO3+δ based on a multiorbital Lieb lattice model

Kimihiro Yamazaki, Masayuki Ochi, Daisuke Ogura, Kazuhiko Kuroki, Hiroshi Eisaki, Shinichi Uchida, Hideo Aoki

Physical Review Research 2(3)