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02/09/2021
Graph Energy-based Model for Substructure Preserving Molecular Design
It is common practice for chemists to search chemical databases based on...
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06/18/2020
Practical Large-Scale Distributed Parallel Monte-Carlo Tree Search Applied to Molecular Design
It is common practice to use large computational resources to train neur...
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06/14/2020
Meta Approach to Data Augmentation Optimization
Data augmentation policies drastically improve the performance of image ...
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11/16/2019
Faster AutoAugment: Learning Augmentation Strategies using Backpropagation
Data augmentation methods are indispensable heuristics to boost the perf...
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09/29/2017
ChemTS: An Efficient Python Library for de novo Molecular Generation
Automatic design of organic materials requires black-box optimization in...
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10/27/2015
Redesigning pattern mining algorithms for supercomputers
Upcoming many core processors are expected to employ a distributed memor...
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05/18/2015
Scalable Parallel Numerical Constraint Solver Using Global Load Balancing
We present a scalable parallel solver for numerical constraint satisfact...
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11/06/2014
