A High-Generalizability Machine Learning Framework for Analyzing the Homogenized Properties of Short Fiber-Reinforced Polymer Composites.

This study aims to develop a high-generalizability machine learning framework for predicting the homogenized mechanical properties of short fiber-reinforced polymer composites. The ensemble machine learning model (EML) employs a stacking algorithm using three base models of Extra Trees (ET), eXtreme Gradient Boosting machine (XGBoost), and Light Gradient Boosting machine (LGBM). A micromechanical model of a two-step homogenization algorithm is adopted and verified as an effective approach to composite modeling with randomly distributed fibers, which is integrated with finite element simulations for providing a high-quality ground-truth dataset. The model performance is thoroughly assessed for its accuracy, efficiency, interpretability, and generalizability. The results suggest that: (1) the EML model outperforms the base members on prediction accuracy, achieving R2 values of 0.988 and 0.952 on the train and test datasets, respectively; (2) the SHapley Additive exPlanations (SHAP) analysis identifies the Young's modulus of matrix, fiber, and fiber content as the top three factors influencing the homogenized properties, whereas the anisotropy is predominantly determined by the fiber orientations; (3) the EML model showcases good generalization capability on experimental data, and it has been shown to be more effective than high-fidelity computational models by significantly lowering computational costs while maintaining high accuracy.