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Meeting MS&T24: Materials Science & Technology
Symposium Frontiers of Machine Learning on Materials Discovery
Presentation Title Exploring the Limits of Deep Learning for Synthetic Microstructure Generation of Titanium Alloy Microstructures: A Primer to Process-Structure Relationships and Microstructure Fingerprinting
Author(s) Gowtham Nimmal Haribabu, Michael D. White, Jeyapriya Thimukonda Jegadeesan, Christopher P Race, Philip J Withers, Bikramjit Basu
On-Site Speaker (Planned) Gowtham Nimmal Haribabu
Abstract Scope There is great interest in how to control metals microstructure through advanced manufacturing process control and optimisation. Machine learning algorithms can generate computationally expensive simulation results almost instantly, without knowing the governing laws. Deep learning algorithms, especially generative adversarial networks, have demonstrated outstanding performances in synthesizing highly realistic images. In this work, the StyleGANv2-ADA model is explored as a means of generating synthetic microstructural images of conventionally processed titanium alloy. The effect of diffferent different augmentations is studied. Quantitative metrics and morphometric analysis are used to assess the performance of the generative model and compare microstructural features of real and synthetic images. StyleGAN-like models will be crucial in establishing structure-process relationships based on limited datasets (<600 images) typical of metallurgical process design studies. In addition, pre-trained Variational Autoencoders are used to generate microstructural fingerprints of synthetic microstructures and compared with fingerprints of original microstructures by dimensionality reduction.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Hierarchical Machine Learning Scheme to Identify Promising New Scintillators
abICS Framework for ab initio Statistical Thermodynamics of Complex Oxides Accelerated by Machine Learning
Accelerating Defect Predictions in Semiconductors Using Crystal Graphs
Accelerating Electron Microscopy and Experimentation through Acceptance of ML/AI
Accelerating Glass Discovery through Artificial Intelligence and Machine Learning
Autonomous Materials Synthesis System for Inorganic Thin Films Utilizing AI and Robotics
Data-Driven Accelerated Discovery of Novel Battery Materials
Delocalized, Asynchronous, Closed-Loop Discovery of Organic Laser Emitters
Exploring New Frontiers in Inverse Materials Design through Graph Neural Networks and Large Language Models
Exploring the Limits of Deep Learning for Synthetic Microstructure Generation of Titanium Alloy Microstructures: A Primer to Process-Structure Relationships and Microstructure Fingerprinting
Inverse Design of Quantum Materials by High-Throughput Calculations and Optimization Techniques
Machine-Learning-Aided Discovery of Metal-Organic Frameworks for Water Harvesting
Machine Learning in Chemistry: Reactive Force Fields and Beyond
Machine Learning Materials Properties with Accurate Predictions, Uncertainty Estimates, Domain Guidance, and Persistent Online Accessibility
MAXIMA: A High-Throughput Instrument for XRD and XRF Characterization of Materials
Physics-Aware Recurrent Convolutional Neural Networks for Modeling Hotspot Formation and Growth in Energetic Materials
Physics-Informed Machine Learning of Thermodynamic Properties
Physics-Infused Causal and Hypothesis-Driven AI for Advanced Functional Materials
Reinforcement Learning for Materials Science: Algorithms, Challenges and Applications to Improve Understanding of System Dynamics
Role of Domain Knowledge Injection in Data-Driven Methods Towards Accelerating Material Discovery
The Space of Phase Diagrams: Visualization Strategies for Advanced Materials
Towards Automatic Alloy Design via Large Language Model Powered Multi-Agent Collaborations
Unveiling the Potential of CGMD Simulations: Informing Accuracy with Optimized Coarse-Grained Topologies
Using UNET Architecture for Microstructural Image Analysis in Hypoeutectoid Steel
Variable Selection for Small-Scale Chemical Experimental Data Based on Bayesian Inference

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