In order to alleviate the environmental pressure caused by production process of thermal power plants, the application of cleaner production is imperative. To estimate the implementation effects of cleaner production in thermal plants and optimize the strategy duly, it is of great significance to take a comprehensive evaluation for sustainable development. In this paper, a hybrid model that integrated the analytic hierarchy process (AHP) with least squares support vector machine (LSSVM) algorithm optimized by grid search (GS) algorithm is proposed. Based on the establishment of the evaluation index system, AHP is employed to pre-process the data and GS is introduced to optimize the parameters in LSSVM, which can avoid the randomness and inaccuracy of parameters’ setting. The results demonstrate that the combined model is able to be employed in the comprehensive evaluation of the cleaner production in the thermal power plants.