GLDP000146 In-House Research

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

Authors

Yang Liu, Xubo Yue, Junru Zhang, Zhenghao Zhai, Ali Moammeri, Kevin J. Edgar, Albert S. Berahas, Raed Al Kontar, Blake N. Johnson

Affiliation

Department of Mechanical and Industrial Engineering, Northeastern University, Boston, Massachusetts 02115, United States; Grado Department of Industrial and Systems Engineering, Virginia Tech, Blacksburg, Virginia 24061, United States; Department of Chemical Engineering, Virginia Tech, Blacksburg, Virginia 24061, United States; Department of Materials Science and Engineering, Virginia Tech, Blacksburg, Virginia 24061, United States; Department of Industrial and Operations Engineering, University of Michigan, Ann Arbor, Michigan 48109, United States; Macromolecules Innovation Institute, Virginia Tech, Blacksburg, Virginia 24061, United States; Department of Sustainable Biomaterials, Virginia Tech, Blacksburg, Virginia 24061, United States

<p>Scalable Accelerated Materials Discovery of Sustainable Polysaccharide-Based Hydrogels by Autonomous Experimentation and Collaborative Learning</p>
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Chronicle Description
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.
Associated Publications
Yang Liu; Xubo Yue; Junru Zhang; Zhenghao Zhai; Ali Moammeri; Kevin J. Edgar; Albert S. Berahas; Raed Al Kontar; Blake N. Johnson
ACS Applied Materials &amp; Interfaces
Data Files & Attachments
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Research Keywords & Tags
Carbohydrates High-throughput characterization Hydrogels Machine learning
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