Under the accelerating advancement of intelligent manufacturing, precise control of steel material heat treatment processes faces dual challenges: insufficient accuracy in traditional empirical models and low computational efficiency of finite element methods. This study develops a deep-integration architecture combining machine learning prediction modules with a Steel Material Data Management System (S-MDMS), achieving synergistic optimization between intelligent thermal property prediction and full lifecycle data management. Within the S-MDMS framework, we constructed a multidimensional database encompassing material composition, phase transformation characteristics, process history, and service performance. We implemented ontology-based data modeling for the semantic fusion of multi-source heterogeneous data. We innovatively established a machine learning-based multiscale prediction system to overcome the limitations of conventional finite element methods that rely on empirical constitutive equations. By systematically integrating random forests, gradient-boosting decision trees, and XGBoost algorithms, we developed quantitative mappings between material composition, microstructure, process parameters, and thermal properties. Experimental results demonstrate the superior performance of XGBoost, with Bayesian-optimized hyperparameters yielding an ensemble model achieving R² > 0.99 prediction accuracy on test datasets. The proposed three-dimensional "data governance-feature extraction-predictive feedback" collaborative framework aligns with computational materials engineering principles in metallurgy, providing an innovative paradigm for the digital transformation of heat treatment processes in intelligent manufacturing ecosystems.