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Meeting MS&T26: Materials Science & Technology
Symposium Uncertainty Quantification in Ultra-High Temperature Materials Manufacturing
Presentation Title Uncertainty Quantification via Deep Kernel Learning on Synchrotron Diffraction Patterns
Author(s) Ayorinde Emmanuel Olatunde, Ozan Dernek, Gabriel O. Ponon, Weiqi Yue, Qingzhe Guo, Oreofe Solarin, Amit Samanta, Donald W. Brown, Roger H. French, Anirban Mondal
On-Site Speaker (Planned) Ayorinde Emmanuel Olatunde
Abstract Scope The use of integrated methods for predictions made by Machine Learning models is increasing. Deep Kernel Learning (DKL) combines the strengths of principled Uncertainty Quantification (UQ) inherent in traditional UQ methods, such as Gaussian Process, with the merits of Deep Neural Networks for learning hierarchical representations from raw data, while incurring the demerit of increased computational complexity.In this work, we investigated the UQ capabilities of DKL models in the prediction of β-phase volume fraction from synchrotron X-ray diffraction patterns obtained from Ti–6Al–4V alloy during heat treatment. We considered two feature configurations: a full set with 4.1M raw pixel-intensity features and a reduced set with 262K downscaled pixel-intensity features. Using these two setups, we compared results across standard and study-defined metrics to determine whether the reduced space performs comparably to the full space and to draw relevant conclusions.

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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