This study employed hydrochemical data, traditional hydrogeochemical methods, inverse hydrogeochemical modeling, and unsupervised machine learning techniques to explore the hydrogeochemical traits and origins of groundwater in the Changbai Mountain region. (1) Findings reveal that predominant hydrochemical types include HCO₃⁻Ca·Mg, HCO₃⁻Ca·Na·Mg, HCO₃⁻Mg·Na, and HCO₃⁻Na·Mg. The average metasilicic acid content was found to be at 49.13 mg/L. (2) Rock weathering mechanisms, particularly silicate mineral weathering, primarily shape groundwater chemistry, followed by carbonate dissolution. (3) Water-rock interactions involve volcanic mineral dissolution and cation exchange adsorption. Inverse hydrogeochemical modeling, alongside analysis of the widespread volcanic lithology, underscores the complexity of groundwater reactions, influenced not only by water-rock interactions but also by evaporation and precipitation. (4) Unsupervised machine learning, integrating SOM, PCA, and K-means techniques, elucidates hydrochemical types. SOM component maps reveal a close combination of various hydrochemical components. Principal component analysis (PCA) identifies the first principal component (PC1), explaining 48.15% of the variance. The second (PC2) and third (PC3) principal components, explain 13.2% and 10.8% of the variance, respectively. K clustering categorized samples into three main clusters: one less influenced by basaltic geological processes, another showing strong igneous rock weathering characteristics, and the third affected by other geological processes or anthropogenic factors.