Data integration and data fusion approaches in self-driving labs: A perspective

Self-driving laboratories (SDLs) are transforming materials discovery by combining automation, machine learning, and real-time feedback. Yet, their success depends on robust data integration and fusion methods capable of handling materials data that are heterogeneous, sparse, and multi-scale. Such data span theoretical models, simulations, and experimental techniques across diverse spatial and temporal scales, creating significant challenges for interoperability and analysis. This perspective reviews the state-of-the-art techniques, including knowledge graphs, structured pipelines, multimodal machine learning, and physics-informed models, that are enabling materials science and SDLs to unify and learn from disparate data sources, identify critical challenges, and propose forward-looking directions to enhance data readiness, interoperability, and predictive power in SDLs. We also highlight emerging methods such as transformer architectures, zero-shot learning, and real-time stream processing, and discuss the critical need for more scalable, interpretable, and adaptive solutions to fully realize autonomous materials innovation. By mapping out both the current landscape and future opportunities, we argue that next-generation data integration and fusion are not just enablers but essential pillars for achieving fully autonomous, adaptive, and intelligent SDL systems capable of addressing the complexities of hierarchical and multifunctional materials.

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Publication Details

Journal
APL Machine Learning
Published
2025-10-29
DOI
https://doi.org/10.1063/5.0283450
Primary Topic
Machine Learning in Materials Science
Type
article
Field-Weighted Citation Impact
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article

Data integration and data fusion approaches in self-driving labs: A perspective

Yaroslava G. Yingling, Nahed Abu Zaid, Alexey V. Gulyuk, Rada Chirkova
APL Machine Learning
Machine Learning in Materials Science
article

Data integration and data fusion approaches in self-driving labs: A perspective

Yaroslava G. Yingling, Nahed Abu Zaid, Alexey V. Gulyuk, Rada Chirkova
article en

Abstract

Self-driving laboratories (SDLs) are transforming materials discovery by combining automation, machine learning, and real-time feedback. Yet, their success depends on robust data integration and fusion methods capable of handling materials data that are heterogeneous, sparse, and multi-scale. Such data span theoretical models, simulations, and experimental techniques across diverse spatial and temporal scales, creating significant challenges for interoperability and analysis. This perspective reviews the state-of-the-art techniques, including knowledge graphs, structured pipelines, multimodal machine learning, and physics-informed models, that are enabling materials science and SDLs to unify and learn from disparate data sources, identify critical challenges, and propose forward-looking directions to enhance data readiness, interoperability, and predictive power in SDLs. We also highlight emerging methods such as transformer architectures, zero-shot learning, and real-time stream processing, and discuss the critical need for more scalable, interpretable, and adaptive solutions to fully realize autonomous materials innovation. By mapping out both the current landscape and future opportunities, we argue that next-generation data integration and fusion are not just enablers but essential pillars for achieving fully autonomous, adaptive, and intelligent SDL systems capable of addressing the complexities of hierarchical and multifunctional materials.

APL Machine LearningVol. 3(4)
North Carolina State University (US)
Openalex Percentile: Top 75%
Machine Learning in Materials Science
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