Interpretable machine learning with Bayesian optimization for bond strength prediction of steel reinforcement in geopolymer concrete

Abstract

Accurate estimation of bond strength between steel reinforcement and geopolymer concrete is essential for the reliable design of sustainable reinforced concrete structures. However, the highly nonlinear interactions reduce the applicability and accuracy of conventional empirical models. This study proposes a Bayesian-optimized interpretable machine learning framework to predict the ultimate bond strength of reinforced geopolymer concrete using a comprehensive experimental database compiled from published studies. A dataset of 238 samples with 20 influential input variables was assembled to represent material properties, geopolymer chemistry, and specimen geometry. Six advanced machine learning algorithms, including Support Vector Regression (SVR), Random Forest (RF), Extra Trees Regressor (ETR), Gradient Boosting Machine (GBM), XGBoost, and CatBoost, were developed and systematically compared. Hyperparameter tuning was performed using Bayesian optimization to improve model performance. The results indicate that all models achieved strong predictive capability, while the optimized CatBoost model (BO-CatBoost) provided the best performance with testing metrics of R² = 0.950, MAE = 1.173, MAPE = 11.608%, and RMSE = 1.669. A comparative evaluation with existing empirical equations further demonstrated the superior accuracy and lower prediction variability of the proposed model. To enhance model transparency, SHAP-based explainability analysis was conducted to quantify the contribution of each input parameter. The global importance analysis revealed that compressive strength, the embedment length-to-bar diameter ratio, and the cover-to-bar diameter ratio are the most influential factors governing bond strength. Additional mixture-related parameters, including the alkaline solution-to-binder ratio, curing temperature, CaO content in the binder, and the SiO₂/Al₂O₃ ratio, also contribute to the bond mechanism by influencing geopolymerization and matrix densification. The proposed framework provides both high predictive accuracy and interpretable insights, demonstrating the potential of Bayesian-optimized interpretable machine learning to support the design and optimization of sustainable reinforced geopolymer concrete structures.