Optimizing the spatial layout of the national territory is crucial for realizing the transformation and development of resource-oriented cities in the context of high-quality development in the new period. This paper takes Tongling City as a case study, based on the analysis of the historical development foundation, then uses the SD-FLUS comprehensive model to carry out a systematic analysis of the transformation in five dimensions of economy, society, population, science and technology, resources and environment, and discusses the optimization of spatial pattern under the contextual simulation. The conclusions are as follows: ① The hierarchical framework of “system-indicator-element” is not only internally interconnected, but also inextricably linked with the relationship between the various categories of the land use system. ② Decrease of cropland, forest, water, grassland, and barren decreases from the economic development, social progress, and comprehensive development, and there is a small increase in the area under the scenario of resource and environmental protection, and the direction of the change of the impervious is in the opposite direction. ③ Cultivated land is retained in situ and concentrated to a small extent, forested land is reduced to a small extent while the status quo is maintained, and the Yangtze River water system will be retained and protected to a large extent, but part of the waters of Zongyang County will give way to the expansion of construction land under the development objectives of the new county. Building land will be expanded and extended to the northeast in the original site area, while the southwest corner of the original county center will be expanded to some extent in Zongyang County to promote the county’s economic development.

The spatial layout of the “Production–Living–Ecological” (PLE) function and the spatial optimization of the “Urban–Agricultural–Ecological” (UAE) pattern are the key points and difficulties in territorial space planning. This paper analyzes their spatial concepts and holds that PLE space is a functional space, while UAE space belongs to a regional space. The optimization of the UAE pattern should be guided by the improvement of the PLE function. Therefore, taking Hefei City, China, as an example, this paper analyzes the evolution of the present UAE pattern, evaluates the PLE function under carbon constraint and then determines the improvement direction of the PLE function and finally simulates the future UAE pattern of territory space. The conclusions are as follows: ① From 2011 to 2019, the urban space increased incrementally, while the agricultural space and ecological space decreased continuously, and the urban space expansion squeezed the agricultural and ecological spaces greatly; ② The PLE functions of four districts in the main city are higher than that of five other counties. After the carbon constraint conditions are included, the PLE functions of the main city were reduced due to the relatively strong capacity of carbon source, while the counties’ increased due to a stronger carbon sink capacity; ③ According to the normalized revealed comparative advantage (NRCA) index, it was determined that the functional improvement direction of each district and county are Yaohai District and Shushan District have comprehensive function as a priority, Luyang District and Baohe District give priority to living–ecological function, Changfeng County, Feidong County, Feixi County and Chaohu County give priority to production–ecological function, and Lujiang County gives priority to ecological function; ④ The simulation results show that 2025 is an important node for the evolution of the UAE pattern. The urban spatial expansion during the “14th Five-Year Plan” period will still bring great pressure on agriculture and ecological spaces, and then, the UAE pattern will continue to be optimized and balanced.

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.