Networking autonomous material exploration systems through transfer learning

Naoki Yoshida

doi:10.1038/s41524-025-01851-8

2025-12-09

DOI：10.1038/s41524-025-01851-8

原文链接

查看原文

摘要

En 中文

近年来，集成机器人技术、材料模拟和机器学习的自主材料探索系统取得了迅速发展。尽管其数量持续增长，但这些系统目前独立运行，限制了自主材料发现的整体效率。类比于人类研究人员通过知识共享和协作推动材料科学进步的方式，自主系统同样能从网络化和知识交流中获益。在此，我们提出一种框架，其中多个自主材料探索系统通过迁移学习形成网络，实时选择性利用其他系统的相关知识。我们使用三个不同的自主系统演示了这一方法，并表明此类网络化显著提升了材料发现的效率。我们的结果表明，所提出的框架能够支持大规模自主材料探索网络的发展，最终加速材料开发的进程。

AI总结

对已上传原文的论文进行重点信息的提取，主要内容包括：简要概述、研究摘要、背景介绍、关键亮点、图文解析、展望与总结。

期刊

npj Computational Materials

IF:

11.9

论文数:

2.4K

被引数:

1.7W

机构

Center for Basic Research on Materials

学者数:

论文数: 10

被引数: 0

Graduate School of Science and Technology

学者数:

157

论文数: 87

被引数: 1

引用论文

Active learning and molecular dynamics simulations to find high melting temperature alloys

COMPUTATIONAL MATERIALS SCIENCE

IF3.3

2022-06-01

OAAI

Farache, David E.; Verduzco, Juan C.; McClure, Zachary D.; Desai, Saaketh; Strachan, Alejandro

A mobile robotic chemist 移动机器人化学家

NATURE

IF48.5

2020-07-08

766

PREAI

Burger, Benjamin; Maffettone, Phillip M.; Gusev, Vladimir V.; Aitchison, Catherine M.; Bai, Yang; Wang, Xiaoyan; Li, Xiaobo; Alston, Ben M.; Li, Buyi; Clowes, Rob; Rankin, Nicola; Harris, Brandon; Sprick, Reiner Sebastian; Cooper, Andrew I.

Predicting Materials Properties with Little Data Using Shotgun Transfer Learning 使用shot弹枪迁移学习在少量数据的情况下预测材料特性

ACS CENTRAL SCIENCE

IF10.4

2019-09-30

274

OAAI

Yamada, Hironao; Liu, Chang; Wu, Stephen; Koyama, Yukinori; Ju, Shenghong; Shiomi, Junichiro; Morikawa, Junko; Yoshida, Ryo

Toward autonomous design and synthesis of novel inorganic materials 走向新型无机材料的自主设计与合成

MATERIALS HORIZONS

IF10.7

2021-01-01

OAAI

Szymanski, Nathan J.; Zeng, Yan; Huo, Haoyan; Bartel, Christopher J.; Kim, Haegyeom; Ceder, Gerbrand

Autonomy in materials research: a case study in carbon nanotube growth 材料研究中的自主性: 碳纳米管生长的案例研究

NPJ COMPUTATIONAL MATERIALS

IF11.9

2016-10-21

282

OAAI

Nikolaev, Pavel; Hooper, Daylond; Webber, Frederick; Rao, Rahul; Decker, Kevin; Krein, Michael; Poleski, Jason; Barto, Rick; Maruyama, Benji

Autonomous materials synthesis by machine learning and robotics

APL MATERIALS

IF4.5

2020-11-18

OAAI

Shimizu, Ryota; Kobayashi, Shigeru; Watanabe, Yuki; Ando, Yasunobu; Hitosugi, Taro

Robot-Accelerated Perovskite Investigation and Discovery 机器人加速的钙钛矿调查和发现

CHEMISTRY OF MATERIALS

IF7

2020-06-04

134

OAAI

Li, Zhi; Najeeb, Mansoor Ani; Alves, Liana; Sherman, Alyssa Z.; Shekar, Venkateswaran; Parrilla, Peter Cruz; Pendleton, Ian M.; Wang, Wesley; Nega, Philip W.; Zeller, Matthias; Schrier, Joshua; Norquist, Alexander J.; Chan, Emory M.

ChemOS: Orchestrating autonomous experimentation

SCIENCE ROBOTICS

IF27.5

2018-06-20

118

PREAI

Roch, Loic M.; Hase, Florian; Kreisbeck, Christoph; Tamayo-Mendoza, Teresa; Yunker, Lars P. E.; Hein, Jason E.; Aspuru-Guzik, Alan

A simple vibrating sample magnetometer for macroscopic samples

Review of Scientific Instruments

IF0

2018-03-28

OAAI

V. Lopez-Dominguez; A. Quesada; J. C. Guzmán-Mínguez; L. Moreno; M. Lere; J. Spottorno; F. Giacomone; J. F. Fernández; A. Hernando; M. A. García

A robotic platform for flow synthesis of organic compounds informed by AI planning 由AI计划提供的用于有机化合物流动合成的机器人平台

Science

IF0

2019-08-09

PREAI

Connor W. Coley; Dale A. Thomas; Justin A. M. Lummiss; Jonathan N. Jaworski; Christopher P. Breen; Victor Schultz; Travis Hart; Joshua S. Fishman; Luke Rogers; Hanyu Gao; Robert W. Hicklin; Pieter P. Plehiers; Joshua Byington; John S. Piotti; William H. Green; A. John Hart; Timothy F. Jamison; Klavs F. Jensen

查看更多内容