The ideal conditions for anaerobic digestion experiments with biochar addition are challenging to thoroughly study due to different experimental purposes. Therefore, three tree-based machine learning models were developed to depict the intricate connection between biochar properties and anaerobic digestion. For the methane yield and maximum methane production rate, the gradient boosting decision tree produced R2 values of 0.84 and 0.69, respectively. According to feature analysis, digestion time and particle size had a substantial impact on the methane yield and production rate, respectively. When particle sizes were in the range of 0.3-0.5 mm and the specific surface area was approximately 290 m2/g, corresponding to a range of O content (>31%) and biochar addition (>20 g/L), the maximum promotion of methane yield and maximum methane production rate were attained. Therefore, this study presents new insights into the effects of biochar on anaerobic digestion through tree-based machine learning.