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Meeting MS&T26: Materials Science & Technology
Symposium Uncertainty Quantification in Ultra-High Temperature Materials Manufacturing
Presentation Title Autonomous Materials Characterization Through Simulation to Experiment Analysis with Continual Deep Learning
Author(s) Zihan Wang, Hyun Sang Park, Ali Rachidi, David Elbert, Todd Hufnagel, Wei Chen
On-Site Speaker (Planned) Zihan Wang
Abstract Scope Autonomous laboratories for materials discovery require learning systems that can interpret characterization data reliably, adapt to evolving experimental conditions, and continuously incorporate new information. X-ray diffraction (XRD) is a key characterization technique for probing crystal structure and phase evolution, but its interpretation remains challenging due to the complexity and variability of diffraction patterns. We present a continual deep learning framework for 2D XRD image classification in autonomous laboratory settings. The framework combines a spectral-normalized neural Gaussian process (SNGP) for uncertainty quantification with a domain adaptation strategy that bridges simulated and experimentally collected XRD data under realistic conditions. By updating the model incrementally as new data arrives, the method reduces the need for full retraining, improving computational efficiency and memory usage while enabling faster adaptation to newly observed materials. Results on sequential datasets show strong classification performance and a meaningful latent feature space.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Autonomous Materials Characterization Through Simulation to Experiment Analysis with Continual Deep Learning
Bayesian Design of Experiments for Calphad Modeling
Computational Tools for Predicting High-Temperature Materials Properties via DFT, MD, and Deep Learning
Data to Discovery: A Closed-Loop Ecosystem for Designing Compositionally Complex Alloys
End-to-End Machine Learning for Creep Modeling: Data Processing, Parameter Learning, and Uncertainty Analysis
From Design to Melt: Rare Earth Retention in Ni-Based Superalloys
From Dirty Processing to Enhanced Performance: Hidden Variables for Strength Consistency in UHTCs
Generalization of a Crystal Plasticity Model from Grade 91 to Grade 92 Steel: A Coupled High-Throughput Constitutive Model and Data-Driven Analysis Approach
MXene and Polymer Derived TiC–SiC Ceramics with Enhanced Electrical Conductivity and Tailored Thermal–Mechanical Performance for High-Temperature Applications
UHTM and the Materials R&D Landscape
Uncertainty-Guided Experimental Determination of Phase Diagrams
Uncertainty Quantification of In-Situ Densification of Polymer-Derived Ceramics
Uncertainty Quantification via Deep Kernel Learning on Synchrotron Diffraction Patterns

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