no code implementations • ICLR Workshop EBM 2021 • Ryuichiro Hataya, Hideki Nakayama, Kazuki Yoshizoe
We present Graph Energy-based Model (GEM), an energy-based model for molecular graph generation.
no code implementations • 9 Feb 2021 • Ryuichiro Hataya, Hideki Nakayama, Kazuki Yoshizoe
It is common practice for chemists to search chemical databases based on substructures of compounds for finding molecules with desired properties.
no code implementations • ICLR 2021 • Xiufeng Yang, Tanuj Kr Aasawat, Kazuki Yoshizoe
In this paper, we propose a novel massively parallel Monte-Carlo Tree Search (MP-MCTS) algorithm that works efficiently for 1, 000 worker scale, and apply it to molecular design.
no code implementations • 14 Jun 2020 • Ryuichiro Hataya, Jan Zdenek, Kazuki Yoshizoe, Hideki Nakayama
Data augmentation policies drastically improve the performance of image recognition tasks, especially when the policies are optimized for the target data and tasks.
1 code implementation • ECCV 2020 • Ryuichiro Hataya, Jan Zdenek, Kazuki Yoshizoe, Hideki Nakayama
In this paper, we propose a differentiable policy search pipeline for data augmentation, which is much faster than previous methods.
Ranked #1 on Data Augmentation on CIFAR-10
2 code implementations • 29 Sep 2017 • Xiufeng Yang, Jinzhe Zhang, Kazuki Yoshizoe, Kei Terayama, Koji Tsuda
Automatic design of organic materials requires black-box optimization in a vast chemical space.
Chemical Physics Computational Engineering, Finance, and Science
no code implementations • 27 Oct 2015 • Kazuki Yoshizoe, Aika Terada, Koji Tsuda
Upcoming many core processors are expected to employ a distributed memory architecture similar to currently available supercomputers, but parallel pattern mining algorithms amenable to the architecture are not comprehensively studied.
no code implementations • 18 May 2015 • Daisuke Ishii, Kazuki Yoshizoe, Toyotaro Suzumura
We present a scalable parallel solver for numerical constraint satisfaction problems (NCSPs).
no code implementations • 6 Nov 2014 • Daisuke Ishii, Kazuki Yoshizoe, Toyotaro Suzumura
We present a parallel solver for numerical constraint satisfaction problems (NCSPs) that can scale on a number of cores.