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Meeting TMS Specialty Congress 2025
Symposium Joint Sessions of AIM, ICME, & 3DMS
Presentation Title X-Ray Diffraction Analysis Using TensorFlow and FAIR Data Pipelines
Author(s) Finley Holt, Daniel Savage, Mohommad Mehdi, Weiqi Yue, Pawan Tripathi, Matthew Willard, Frank Ernst, Roger French, Quynh D. Tran
On-Site Speaker (Planned) Quynh D. Tran
Abstract Scope X-ray diffraction generates vast, complex datasets of material behavior that demand scalable and flexible scientific analyses. The efficient management and manipulation of image and histogram data has largely been addressed in the development of the TensorFlow package for ML and AI. In this talk we will explore using our newly developed FAIRshake package, an end-to-end, modular framework that interfaces with FAIRified diffraction data using the TensorFlow Dataset API, to perform data manipulation and analysis. TensorFlow allows data transformation (e.g dark corrections, azimuthal integration, analysis) to be performed using standard TensorFlow dataset tools. The autotuning capability of TensorFlow enables excellent performance, from desktops to HPC environments, through dynamic dataset streaming and parallelization. TensorFlow datasets are shown through examples to be especially attractive for scientific analysis that can natively utilize tensor representations of data; bringing into focus the question: “How should scientific codes be interacting with FAIR data?”
Proceedings Inclusion? Definite: Post-meeting proceedings

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Efficient, Coupled Process-Structure-Property Simulations of Additive Manufacturing Using the “Materialize” Framework
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FactoryNet: A Labeled Image Dataset for the Manufacturing Environment
FIB-SEM Serial Sectioning Tomography: Towards 24-Hour Time-to-Results
Generalized Graph Foundation Models as Versatile Data-Driven Digital Twins for Complex Technological Systems
Harnessing Deep Learning Conditional Diffusion Models for Microscopy Modality Transfer of Light Optical Microscopy to Electron Backscattering Microscopy Diffraction Misorientations
Influence of 3D Crack Networks for High Toughness Responses in Tantalum Carbides
Innovations in 3D EBSD for Advanced Materials Characterization
Manufacturing and Control of Fiber Reinforced Polymer Composites Through FMEA-Based Digital Twin
Materials Microstructure Design Integrated With Image-Based Simulation
Modular and Interoperable Materials Data Science Ontology (MDS-Onto) for Knowledge Graphs and Semantic Reasoning
NIMS's Data-Driven Materials Research Platform: Enhancing MLOps With Literature-Based Data Integration
Pinax: A Machine Learning Platform for Data-Driven Materials Development
Smart Sustainable Packaging for Local Fruits—TRACE Your Food, KNOW Your Food, TAKE CARE of Trash
The Materials Science and Engineering Knowledge Graph: Establishing a Centralized Metadata Index for Enhanced Data Integration
Toward Sentient Manufacturing
Towards Structured Data Spaces: Prototypical Application of Semantic Technologies as a Driver for Innovation in Materials Science
Transforming Materials Science With Concepts for a Semantically Accessible Data Space
Uncertainty Quantification, Error Propagation, and Sensitivity Analysis for Synchrotron X-Ray Residual Stress Measurements
Using Novel EBSD Methods to Analyze Plastic Strain in Structural Alloys
X-Ray Diffraction Analysis Using TensorFlow and FAIR Data Pipelines

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