Search Results for author:
Found 9 papers, 2 papers with code
Graph Energy-based Model for Molecular Graph Generation
We present Graph Energy-based Model (GEM), an energy-based model for molecular graph generation.
Graph Energy-based Model for Substructure Preserving Molecular Design
It is common practice for chemists to search chemical databases based on substructures of compounds for finding molecules with desired properties.
Practical Massively Parallel Monte-Carlo Tree Search Applied to Molecular Design
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.
Meta Approach to Data Augmentation Optimization
Data augmentation policies drastically improve the performance of image recognition tasks, especially when the policies are optimized for the target data and tasks.
Faster AutoAugment: Learning Augmentation Strategies using Backpropagation
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
ChemTS: An Efficient Python Library for de novo Molecular Generation
Automatic design of organic materials requires black-box optimization in a vast chemical space.
Chemical Physics Computational Engineering, Finance, and Science
Redesigning pattern mining algorithms for supercomputers
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.
Scalable Parallel Numerical Constraint Solver Using Global Load Balancing
We present a scalable parallel solver for numerical constraint satisfaction problems (NCSPs).
Scalable Parallel Numerical CSP Solver
We present a parallel solver for numerical constraint satisfaction problems (NCSPs) that can scale on a number of cores.
