Urbanization and climate change pose significant challenges to urban ecosystems, underscoring the necessity for innovative strategies to enhance urban green infrastructure. Tree planting, a crucial aspect of green infrastructure, has been analyzed for optimized positioning using data metrics, priority scoring, and GIS. However, due to the dynamic nature of environmental information, the accuracy of current approaches is compromised. This study aims to present a novel approach integrating deep learning and cellular automata to prioritize urban tree planting locations to anticipate the optimal urban tree network. Initially, GIS data were collated and visualized to identify a suitable study site within London. CycleGAN models were trained using cellular automata outputs and forest mycorrhizal network samples. The comparison validated cellular automata’s applicability, enabled observing spatial feature information in the outputs and guiding the parameter design of our 3D cellular automata system for predicting tree planting locations. The locations were optimized by simulating the network connectivity of urban trees after planting, following the spatial-behavioral pattern of the forest mycorrhizal network. The results highlight the role of robust tree networks in fostering ecological stability and cushioning climate change impacts in urban contexts. The proposed approach addresses existing methodological and practical limitations, providing innovative strategies for optimal tree planting and prioritization of urban green infrastructure, thereby informing sustainable urban planning and design. Our findings illustrate the symbiotic relationship between urban trees and future cities and offer insights into street tree density planning, optimizing the spatial distribution of trees within urban landscapes for sustainable urban development.