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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Algorithm Development in Materials Science and Engineering
Presentation Title Characterizing Microstructure Evolution in Latent Space for Machine Learning Applications
Author(s) Saaketh Desai, Ankit Shrivastava, Marta D'Elia, Habib Najm, Remi Dingreville
On-Site Speaker (Planned) Ankit Shrivastava
Abstract Scope Characterizing and quantifying microstructure evolution is critical to forming quantitative relationships between process conditions, resulting microstructure, and observed properties. Machine-learning methods such as recurrent networks can accelerate the development of these relationships by accelerating materials simulations, while techniques such as reinforcement/active learning can help improve representations and target specific microstructures/properties. However, these methods rely on the non-trivial task of identifying low-dimensional microstructural fingerprints that effectively relate process conditions to properties. In this work, we survey and discuss the ability of various linear/non-linear dimensionality reduction methods such as Principal Component Analysis, Karhunen Loeve Expansion, autoencoders/variational autoencoders, and diffusion maps to quantify and characterize the learned latent space microstructural representations and their time evolution. We target microstructure evolution problems such as spinodal decomposition, thin film deposition, and grain growth. This work paves the way to identify representation schemes that handle a variety of microstructural features across length scales for various machine-learning applications.
Proceedings Inclusion? Planned:
Keywords Machine Learning, Computational Materials Science & Engineering, Modeling and Simulation

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A Peridynamic-based Approach to Study the Influence of Oxide on Impact and Bonding in Cold Spray
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Algorithms for Computing Diffraction Patterns from Dislocation Networks Generated via Discrete Dislocation Dynamics Simulations
An Automated Approach to Data Extraction for SMAs
An OpenMP GPU-Offload Implementation of a Cellular Automata Solidification Model for Laser Fusion Additive Manufacturing
Applications of Min-cut Algorithms for Image Segmentation and Microstructure Reconstruction
Characterization of the Evolution of the Grain Boundary Network Using Spectral Graph Theory
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Coupling of a Multi-GPU Accelerated Elasto-visco-plastic Fast Fourier Transform Constitutive Model with the Implicit Finite Element Method
Crystal Plasticity Finite Element Analysis of Crystalline Thermo-mechanical Constitutive Response
Data-Driven Bayesian Model-Based Prediction of Fatigue Crack Nucleation in Ni-based Superalloys
Data-driven Plastic Anisotropy Predictions Using Crystal Plasticity and Deep Learning Models
Data Assimilation for Estimation of Microstructural Evolution during Solid-state Sintering: Integration of Phase-field Simulation and In-situ Experimental Observation
Development of Structure-property Linkages for Damage in Crystalline Microstructures Using Bayesian Inference and Unsupervised Learning
Diffuse Interface Technique to Simulate Fluid Flow and Characterize Complex Porous Media
EAM-X: Simple Parameterization of Embedded Atom Method Potentials for FCC Metals and Alloys
EAM-X: Universal trends in FCC Grain Boundary Energies
Enabling Long Timescale Molecular Dynamics Simulation with ab initio Precision
Exascale Fracture Mechanics with Peridynamics
Finite Element Implementation of a Dislocation Thermo-mechanics Model: Application to Study Dislocation Structure Evolution during Laser Scanning
Investigating Magnetic Phase Transitions with Ising Models Accounting for Long-range Spin Interactions
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Microstructure-Sensitive Calculations of Metal Nanocomposite Electrical Conductivity
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Multifaceted Uncertainty Quantification for Structure-property Relationship
Multiphase Microstructure-based Modeling for Rolling Contact Fatigue Life Prediction
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Prediction of Mechanical Properties in a Bulged and Annealed Steel Tube through a Multiscale Modeling Approach Based on CPFEM
PyEBSDIndex: Fast Indexing of EBSD data
Symmetry Relation Database and Its Application to Ferroelectric Materials Discovery
Thermographic Process Classification in Electron Beam Additive Manufacturing via Stacked Long Short-Term Memory Networks
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