Optimization of the territorial spatial patterns can promote the functional balance and utilization efficiency of space, which is influenced by economic, social, ecological, and environmental factors. Consequently, the final implementation of spatial planning should address the issue of sustainable optimization of territorial spatial patterns, driven by multiple objectives. It has two components-the territorial spatial scale prediction and its layout simulation. Because a one-sided study of scale or layout is divisive, it is necessary to combine the two to form complete territorial spatial patterns. This paper took Hefei city as an example and optimized its territorial spatial scale using the multiple objective programming (MOP) model, with four objective functions. A computer simulation of the territorial spatial layout was created, using the patch-generating land use simulation (PLUS) model, with spatial driving factors, conversion rules, and the scale optimization result. To do this, statistical, empirical, land utilization, and spatially driven data were used. The function results showed that carbon accumulation and economic and ecological benefits would be ever-increasing, and carbon emissions would reach their peak in 2030. The year 2030 was a vital node for the two most important land use types in the spatial scale-construction land and farmland. It was projected that construction land would commence its transition from reduced to negative growth after that time, and farmland would start to rebound. The simulation results indicated that construction land in the main urban area would expand primarily to the west, with supplemental expansion to the east and north. In contrast, construction land in the counties would experience a nominal increase, and a future ecological corridor would develop along the route south of Chaohu County-Chaohu Waters-Lujiang County-south of Feixi County.