Agricultural sustainable development is one of the themes of human and nature harmonious coexistence. Adjusting and optimizing agricultural structure are an important direction to improve the level of agricultural sustainable development. In this paper, related research status of the sustainable development of agriculture is analyzed; it shows that there is lack of scientific theories guidance for agricultural sustainable development. In order to optimize sustainable development of agriculture industry structure, the guidance theory of and its optimization are studied. Based on multiobjective optimization theory, several key factors that affect agricultural sustainable development and the main target indexes of agricultural sustainable development are analyzed, the mathematical model of the evaluation of the sustainable development of agriculture is established, and the solution to optimize the multiobjective model is studied. Finally, the agricultural industry sustainable development in a certain area is taken as the research object in this paper; the mathematical model and solving method of agricultural sustainable development evaluation are studied; it provides a guidance to optimize the regional agricultural industrial structure and improve the quality of agricultural sustainable development.