To elucidate the mechanisms underlying the differences in yield formation among two parents (P1 and P2) and their F1 hybrid of cucumber, biomass production and whole source–sink dynamics were analyzed using a functional–structural plant model (FSPM) that simulates both the number and size of individual organs. Observations of plant development and organ biomass were recorded throughout the growth periods of the plants. The GreenLab Model was used to analyze the differences in fruit setting, organ expansion, biomass production and biomass allocation. The source–sink parameters were estimated from the experimental measurements. Moreover, a particle swarm optimization algorithm (PSO) was applied to analyze whether the fruit setting is related to the source–sink ratio. The results showed that the internal source–sink ratio increased in the vegetative stage and reached a peak until the first fruit setting. The high yield of hybrid F1 is the compound result of both fruit setting and the internal source–sink ratio. The optimization results also revealed that the incremental changes in fruit weight result from the increases in sink strength and proportion of plant biomass allocation for fruits. The model-aided analysis revealed that heterosis is a result of a delicate compromise between fruit setting and fruit sink strength. The organ-level model may provide a computational approach to define the target of breeding by combination with a genetic model.