# MDTS: automatic complex materials design using Monte Carlo tree search

https://mdr.nims.go.jp/datasets/4b694172-54b7-4596-965e-78062d2e3bf1

## File

- [MDTS_automatic_complex_materials_design_using_Monte_Carlo_tree_search.pdf](https://mdr.nims.go.jp/filesets/dfd8bfb8-7424-4857-99df-7dc022395af5/download) ([Detail](https://mdr.nims.go.jp/filesets/dfd8bfb8-7424-4857-99df-7dc022395af5.md))

## Id

4b694172-54b7-4596-965e-78062d2e3bf1

## Local identifier



## Visibility

open_to_public

## State

published

## Created at

2021-08-05T16:24:08.292119Z

## Updated at

2024-01-05T13:12:03.375378Z

## Published at

2021-08-13T18:54:46.407870Z

## Doi



## First published url

https://doi.org/10.1080/14686996.2017.1344083

## Date published

2017-12-31

## Recorded date published

2017-12-31

## Resource type

journal_article

## Manuscript type

authors_original

## Collection



## Title

- title: 'MDTS: automatic complex materials design using Monte Carlo tree search'
  title_type: original
  lang: en

## Description

- description: Complex materials design is often represented as a black-box combinatorial
    optimization problem. In this paper, we present a novel python library called
    MDTS (Materials Design using Tree Search). Our algorithm employs a Monte Carlo
    tree search approach, which has shown exceptional performance in computer Go game.
    Unlike evolutionary algorithms that require user intervention to set parameters
    appropriately, MDTS has no tuning parameters and works autonomously in various
    problems. In comparison to a Bayesian optimization package, our algorithm showed
    competitive search efficiency and superior scalability. We succeeded in designing
    large Silicon-Germanium (Si-Ge) alloy structures that Bayesian optimization could
    not deal with due to excessive computational cost. MDTS is available at https://github.com/tsudalab/MDTS.
  description_type: abstract
  lang: en

## Creator

- name: Tsuda, Koji
  role: author
  orcid: https://orcid.org/0000-0002-4288-1606
- name: Shiomi, Junichiro
  role: author
- name: Ju, Shenghong
  role: author
- name: Hou, Zhufeng
  role: author
  orcid: https://orcid.org/0000-0002-0069-5573
- name: Dieb, Thaer M.
  role: author
  orcid: https://orcid.org/0000-0002-8111-2009
- name: Yoshizoe, Kazuki
  role: author

## Contact agent



## Publisher

organization: Taylor & Francis

## Managing organization



## Keyword

- subject: Monte Carlo tree search
  schema: not_defined
- subject: materials design
  schema: not_defined

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## Fileset

- id: dfd8bfb8-7424-4857-99df-7dc022395af5
  filename: MDTS_automatic_complex_materials_design_using_Monte_Carlo_tree_search.pdf
  content_type: application/pdf
  size: 1029446
  md5: f69434b7a08bf3acf0015707d83ba610

## Thumbnail

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filename: MDTS_automatic_complex_materials_design_using_Monte_Carlo_tree_search.pdf