Scalable Accelerated Materials Discovery of Sustainable Polysaccharide-Based Hydrogels by Autonomous Experimentation and Collaborative Learning

被引:0
|
作者
Liu, Yang [1 ,2 ]
Yue, Xubo [3 ]
Zhang, Junru [1 ]
Zhai, Zhenghao [2 ]
Moammeri, Ali [1 ,4 ]
Edgar, Kevin J. [2 ,5 ]
Berahas, Albert S. [6 ]
Al Kontar, Raed [6 ]
Johnson, Blake N. [7 ,8 ]
机构
[1] Virginia Tech, Grad Dept Ind & Syst Engn, Blacksburg, VA 24061 USA
[2] Virginia Tech, Macromol Innovat Inst, Blacksburg, VA 24061 USA
[3] Northeastern Univ, Dept Mech & Ind Engn, Boston, MA 02115 USA
[4] Virginia Tech, Dept Chem Engn, Blacksburg, VA 24061 USA
[5] Virginia Tech, Dept Sustainable Biomat, Blacksburg, VA 24061 USA
[6] Univ Michigan, Dept Ind & Operat Engn, Ann Arbor, MI 48109 USA
[7] Virginia Tech, Macromol Innovat Inst, Grad Dept Ind & Syst Engn, Dept Chem Engn, Blacksburg, VA 24061 USA
[8] Virginia Tech, Dept Mat Sci & Engn, Blacksburg, VA 24061 USA
基金
美国国家科学基金会;
关键词
materials genome initiative; autonomous experimentation; Bayesian optimization; active learning; glycomaterials; ALGINATE; SCAFFOLDS; CHITOSAN;
D O I
10.1021/acsami.4c16614
中图分类号
TB3 [工程材料学];
学科分类号
0805 ; 080502 ;
摘要
While some materials can be discovered and engineered using standalone self-driving workflows, coordinating multiple stakeholders and workflows toward a common goal could advance autonomous experimentation (AE) for accelerated materials discovery (AMD). Here, we describe a scalable AMD paradigm based on AE and "collaborative learning". Collaborative learning using a novel consensus Bayesian optimization (BO) model enabled the rapid discovery of mechanically optimized composite polysaccharide hydrogels. The collaborative workflow outperformed a non-collaborating AMD workflow scaled by independent learning based on the trend of mechanical property evolution over eight experimental iterations, corresponding to a budget limit. After five iterations, four collaborating clients obtained notable material performance (i.e., composition discovery). Collaborative learning by consensus BO can enable scaling and performance optimization for a range of self-driving materials research workflows driven by optimally cooperating humans and machines that share a material design objective.
引用
收藏
页码:70310 / 70321
页数:12
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