Multi-Step Time Series Generator for Molecular Dynamics. - Katsuhiro Endo; Katsufumi Tomobe; Kenji Yasuoka (AAAI, 2018)

MD-GAN with multi-particle input: the machine learning of long-time molecular behavior from short-time MD data. - Ryo Kawada; Katsuhiro Endo; Daisuke Yuhara; Kenji Yasuoka (CoRR, 2022)

Prediction of transport property via machine learning molecular movements. - Ikki Yasuda; Yusei Kobayashi; Katsuhiro Endo; Yoshihiro Hayakawa; Kazuhiko Fujiwara; Kuniaki Yajima; Noriyoshi Arai; Kenji Yasuoka (CoRR, 2022)

Optimal Replica-Exchange Molecular Simulations in Combination with Evolution Strategies. - Akie Kowaguchi; Katsuhiro Endo; Paul E. Brumby; Kentaro Nomura; Kenji Yasuoka (J. Chem. Inf. Model., 2022)

Prediction of Water Diffusion in Wide Varieties of Polymers with All-Atom Molecular Dynamics Simulations and Deep Generative Models. - Ryo Kawada; Katsuhiro Endo; Kenji Yasuoka; Hidekazu Kojima; Nobuyuki Matubayasi (J. Chem. Inf. Model., 2023)

Function Smoothing Regularization for Precision Factorization Machine Annealing in Continuous Variable Optimization Problems. - Katsuhiro Endo; Kazuaki Z. Takahashi (CoRR, 2024)

Development of a conditional diffusion model to predict process parameters and microstructures of dendrite crystals of matrix resin based on mechanical properties. - Arisa Ikeda; Ryo Higuchi; Tomohiro Yokozeki; Katsuhiro Endo; Yuta Kojima; Misato Suzuki; Mayu Muramatsu (CoRR, 2024)

An Ising Machine Formulation for Design Updates in Topology Optimization of Flow Channels. - Yudai Suzuki; Shiori Aoki; Fabian Key; Katsuhiro Endo; Yoshiki Matsuda; Shu Tanaka; Marek Behr; Mayu Muramatsu (CoRR, 2024)