In this study, a data-driven way is proposed to evaluate and optimize the sustainable development of the logistics industry (LI). Based on a comprehensive consideration of economic, societal, and environmental factors, an evaluation index system was established for the sustainable development of the logistics industry (LISD). Logistics industry-related data were collected from the Yangtze River Delta (YRD) from 2011 to 2020. The anti-entropy method was used to determine the index weight and process the data. Furthermore, the coupling harmonization degree and barrier degree models were used to analyze the coordinated development of each subsystem and identify key obstacles. Our results indicate that there are significant temporal and spatial differences in the level of LISD in YRD, with Shanghai (score 0.4834) being the best and Anhui (score 0.4553) the worst, showing a wave-like evolution in time. The coupling and coordination states among the subsystems are significantly different, with that of environmental benefits and other subsystems being poor. Moreover, innovation ability and environmental benefits are the main obstacle factors of this system. Based on the results of this study, targeted optimization countermeasures are put forward and evaluation indicators and research methods are suggested, which will provide the government and practitioners decision support, as well as provide theoretical and methodological support for LISD.