296 citations
- Kyoto UniversityJP32 papers
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- RIKEN Center for Advanced Intelligence ProjectJP16 papers
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- Japan Science and Technology AgencyJP15 papers
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- National Institute for Materials ScienceJP12 papers
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14 papers · 1 filter
A machine learning-based selective sampling procedure for identifying the low energy region in a potential energy surface: a case study on proton conduction in oxides
Kazuaki Toyoura, Daisuke Hirano, Atsuto Seko +5
In this paper, we propose a selective sampling procedure to preferentially evaluate a potential energy surface (PES) in a part of the configuration space governing a physical prope…
Sparse selection of bases in neural-network potential for crystalline and liquid Si
Ryo Kobayashi, Tomoyuki Tamura, Ichiro Takeuchi +1
The neural-network interatomic potential for crystalline and liquid Si has been developed using the forward stepwise regression technique to reduce the number of bases with keeping…
Phase diagrams of Bose-Hubbard model and Haldane-Bose-Hubbard model with complex hopping amplitudes
Yoshihito Kuno, Takashi Nakafuji, Ikuo Ichinose
In this paper, we study Bose-Hubbard models on the square and honeycomb lattices with complex hopping amplitudes, which are feasible by recent experiments of cold atomic gases in o…
Homotopy Continuation Approaches for Robust SV Classification and Regression
Shinya Suzumura, Kohei Ogawa, Masashi Sugiyama +2
In support vector machine (SVM) applications with unreliable data that contains a portion of outliers, non-robustness of SVMs often causes considerable performance deterioration. A…
Fairy Lights in Femtoseconds: Aerial and Volumetric Graphics Rendered by Focused Femtosecond Laser Combined with Computational Holographic Fields
Yoichi Ochiai, Kota Kumagai, Takayuki Hoshi +3
We present a method of rendering aerial and volumetric graphics using femtosecond lasers. A high-intensity laser excites a physical matter to emit light at an arbitrary 3D position…
Hard-sphere melting and crystallization with event-chain Monte Carlo
Masaharu Isobe, Werner Krauth
We simulate crystallization and melting with local Monte Carlo (LMC), event-chain Monte Carlo (ECMC), and with event-driven molecular dynamics (EDMD) in systems with up to one mill…