The concepts of four parameters of nominal water-cement ratio, equivalent water-cement ratio, average paste thickness, fly ash-binder ratio were introduced. It was verified that the four parameters and the mix proportion of mortar can be transformed each other. The behaviors (strength, workability, et al.) of mortar primarily determined by the mix proportion of mortar now depend on the four parameters. The prediction models of strength and workability of mortar were built based on artificial neural networks (ANNs). The calculation models of average paste thickness and equivalent water-cement ratio of mortar can be obtained by the reversal deduction of the two prediction models, respectively. A mortar mix proportion design algorithm was proposed. The proposed mortar mix proportion design algorithm is expected to reduce the number of trial and error, save cost, laborers and time.