Chloride ions infiltrate concrete structures, causing corrosion of the steel reinforcement, which creates concrete spalling and decreases load-bearing capacity, ultimately leading to structural failure. Thus, it is essential to comprehend the diffusion process of chloride ions in concrete. Current models used to predict the chloride ion diffusion in concrete are hindered by poor accuracy due to their simplistic consideration of variables and the complex interplay of environmental and material factors affecting key parameters such as surface chloride concentration (Cs) and the chloride diffusion coefficient (D). These influences are challenging to capture with simple linear or non-linear relationships, and traditional machine learning models often overfit training data and underperform with new data. To address these challenges, this study presents physical model experiments conducted to explore the diffusion process of chloride ions under multi-field coupling conditions, examining chloride ion concentrations across different concrete layers under varying environmental temperatures (T), humidities (h), erosion times (t), water-cement ratios (W/C), and volumes of coarse aggregates (v). This study reveals the distribution patterns of chloride ions within concrete layers. An XGBoost machine learning predictive model was developed using environmental temperature, humidity, erosion time, water-cement ratio, and coarse aggregate volume as input variables, with Cs and D as output variables. The results show that when the water-cement ratio reaches 0.5 in high humidity, the SHAP value rises to 0.015, enhancing chloride diffusion. As erosion time exceeds 200 days and temperature surpasses 38 °C, the SHAP value peaks at 0.02. Additionally, when coarse aggregate volume is between 0.45 and 0.60, temperature changes have little effect on Cs. Additionally, a graphical user interface was developed for modeling Cs and D to enhance practical usability.