The rapid discovery of high-performance photocatalysts is one of the challenges in the field of photocatalysis research. Here, a multiobjective stepwise design strategy is developed to accelerate the design of potential ABO 3type perovskites with enhanced photocatalytic activity. The strategy includes model building, stepwise screening, and prediction of the hydrogen production rate (R H 2 ) of candidate perovskites. Based on the strategy, 35 candidate perovskites with a high specific surface area (SSA) (>60 m 2 g −1 ), a suitable bandgap (E g ) (1.4−2.6 eV), and a small crystallite size (CS) (<36 nm) are proposed. The predicted results of R H 2 of the candidates show they have high R H 2 (>6000 μmol h −1 g −1 ). The statistical analysis results reveal that a suitable E g is more likely to acquire when the main elements at the A site are Bi, La, and Pr, and those at the B site are Fe, Ti, and Mn. The perovskites prepared using the sol−gel, polymer complex, combustion method, and lower calcination temperature preferably have a higher SSA and a smaller CS. The relationship between target properties and R H 2 demonstrates that candidate perovskites with E g in the range of 1.9−2.4 eV, CS in the range of 20−32 nm, and a high SSA (>50 m 2 g −1 ) have a higher R H 2 . Furthermore, these models have been developed for online prediction applications.