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Meeting Materials Science & Technology 2020
Symposium AI for Big Data Problems in Imaging, Modeling and Synthesis
Presentation Title Inverse Design of Porous Structures by Deep Learning and TPU-based Computing
Author(s) Yuhai Li, Yuhan Liu, Mathieu Bauchy
On-Site Speaker (Planned) Mathieu Bauchy
Abstract Scope Although simulations offer a convenient pathway to predict the properties of a given structure, “inverse design” optimizations (i.e., predicting which structure exhibits the most desirable properties) are notoriously challenging problems due to the vastness of the design space. Here, we present a deep learning framework that greatly accelerates the discovery of promising structures featuring optimal mechanical properties. Our approach relies on a convolutional neural network (CNN) model (trained from hight-hroughput peridynamic simulations) that successfully maps a structure to its associated stress-strain curve upon tensile fracture. The CNN predictor is then used to train an inverse CNN generator model enabling the prediction of optimal structures. As a key enabler of this approach, we adopt Tensor Processing Unit (TPU) computing, which offers unprecedented performance in training large, complex neural networks. We suggest that TPU-based deep learning offers a new pathway to accelerate the discovery of novel materials with exotic properties and functionalities.

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

A Hybrid EBSD Indexing Method Powered by Convolutional Neural Network (CNN) and Dictionary Indexing (DI)
Directing Matter In-situ via Deep Learning
Enabling Data-driven Discovery of Chemistry-function Relationships via Automated Packing Motif Labeling
Image Characterization of Self-assembled Photonic Crystals and Glasses Using Machine Learning
Instance Segmentation for Autonomous Detection of Individual Powder Particles and Satellites in an Additive Manufacturing Feedstock Powder
Inverse Design of Porous Structures by Deep Learning and TPU-based Computing
Polymer Informatics—Current Status and Critical Next Steps
The Composition-microstructure-property Relationship by Machine Learning

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