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Meeting MS&T25: Materials Science & Technology
Symposium Materials Processing and Fundamental Understanding Based on Machine Learning and Data Informatics
Presentation Title Is AI/ML All We Need for Autonomous Experiments
Author(s) Yongtao Liu
On-Site Speaker (Planned) Yongtao Liu
Abstract Scope Recent advancements in AI can potentially accelerate progress in materials science by enabling autonomous experiment (AE) methodologies. However, current AE frameworks often struggle to manage the complexity and variability in real-world experimental conditions or to adapt dynamically to evolving research objectives—tasks at which human experts excel. In this talk, I will introduce an approach enabling integrating prior knowledge and human oversight into active learning loops of AE. This transforms pure data-driven AE to multi-stage, knowledge-informed decision-making processes, enabling more refined exploration and facilitating the discovery of complex functionalities. We demonstrate the application of this approach in autonomous thin-film processing and microscopy. However, this approach is applicable to a wide range of AE, offering an adaptive way for advancing AEs. Acknowledgments: This research was supported by the Center for Nanophase Materials Sciences, which is a US Department of Energy, Office of Science User Facility at Oak Ridge National Laboratory.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

B-3: Machine Learning of the Creep Life of Heat-Resistant Steel and Thermodynamical Analysis Using Generative AI
Designing Materials and Processes for Power Generation Using Advanced AI Tools Such as Graph Neural Networks
Imbalance Learning, Inverse Design and Transfer Learning of High Entropy Alloys
Is AI/ML All We Need for Autonomous Experiments
Machine Learning Disordered Materials Properties
ML-Informed ReaxFF Development for Complex Metal Carbide, Oxide and Nitride Materials
Preprocessing of Inconsistent Creep Data Collected from a Literature Survey to Provide Reliable and Consistent Creep Life Prediction
The Applications of Generative Adversarial Networks (GANs) on the Prediction of the Material’s Microstructure
The Emergence of Machine Learning and Deep Learning Based Image Segmentation for Powder and Particle Characterization in Materials
Thermodynamic Investigation of LCO/LSM-Based Perovskites via CALPHAD/DFT/ML
Unraveling Doping Effects in LaCoO3 via Machine Learning-Accelerated First-Principles Simulations

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