Joint Modeling and Optimization of UHPC Performance Using VAE-Augmented Multi-Target Deep Learning

Designing ultra-high-performance concrete (UHPC) mixtures requires balancing multiple, often conflicting, performance criteria, particularly mechanical strength and rheological behavior. However, the limited availability of publicly accessible datasets containing synchronized multi-property measurements, together with cross-source heterogeneity, poses a major challenge for robust data-driven modeling under small-sample conditions. To address this issue, this study proposes an integrated framework combining cross-source data harmonization, Variational Autoencoder (VAE)-based latent-space augmentation, multi-output deep learning, interpretability analysis, and Genetic Algorithm (GA)-driven inverse design. A dataset comprising 139 valid UHPC records was curated from 22 peer-reviewed studies and expanded to 2780 samples through VAE-based augmentation. Using the augmented dataset, a multi-output deep neural network was developed to jointly predict compressive strength, flexural strength, yield stress, and plastic viscosity. On the independent test set, the model achieved R2 values of 0.8601, 0.9212, 0.8464, and 0.6603, respectively. Comparative benchmarks and augmentation ablation analyses further showed that VAE-based augmentation consistently improved predictive performance and generalization, especially under small-sample conditions. SHAP and partial dependence analyses identified curing age, steel fiber content, water-to-binder ratio, and superplasticizer dosage as the dominant factors governing UHPC performance. Finally, the trained surrogate model was coupled with a GA for multi-objective inverse optimization, and experimental validation of three candidate mixtures confirmed good agreement between predicted and measured values. This study provides a transparent and engineering-oriented methodology for the integrated prediction, interpretation, and optimization of UHPC mixtures.