Expediting structure–property analyses using variational autoencoders with regression

Abstract

We present a machine learning approach that expedites structure–property analysis in materials, bypassing traditional feature extraction and exploratory data analysis techniques. This objective is accomplished by employing a variational autoencoder (VAE) structure that is modified to include a regressor network for property prediction (VAE-Regression). This modification allows for direct linkage of imaged features and quantitative part properties within the VAE latent space. We first demonstrate our approach using 2D optical micrographs and corresponding four-point bend fatigue life data from laser beam powder bed fusion additively manufactured Ti-6Al-4V coupons. The VAE-Regression model extracts spatial features, predicts fatigue life, and identifies features of porosity defect governing fatigue behavior such as pore clusters, pores near sample edges, and jagged pore morphologies. These features corroborate fatigue literature on physics-based modeling and experimentation. We then demonstrate the versatility of our methodology using binder jet additively manufactured WC-Co coupons, where porosity and microstructural discontinuities are known to lower the three-point bend transverse rupture strength, but the interaction between the WC and Co are yet to be completely understood. We attempted to understand these interactions using our VAE-Regression architecture. Within our dataset, we show that coarser WC grains surrounded by larger Co pools indicate lower strength, while finer WC grains with smaller Co pools indicate higher strength. This machine learning approach using image-based data will likely prove to be critical in understanding and identifying structure–property relationships in new materials and manufacturing processes.