Analyzing the development trend of non-conventional water resources and identifying the main influencing factors is the initial step toward rapidly increasing the utilization and allocation of these resources in a rational and scientific manner. This will help relieve pressure on water resources and improve the ecological environment. This study introduces the concept of comparison testing and employs advanced Dematel and Random Forest models to identify two sets of optimal indicators from a pool of nine. Based on the two best indicator sets, three prediction models—BP neural network, Particle Swarm Optimization-optimized BP neural network, and Genetic neural network—were used to forecast the future potential of non-conventional water resource use in Heilongjiang Province. The findings reveal that economic indicators are the most significant factors influencing Heilongjiang Province’s utilization of non-conventional water resources. The findings of this study help us understand the extent of development in utilizing non-conventional water resources.