Thermally modified wood has high dimensional stability and biological durability.But if the process parameters of thermal modification are not appropriate, then there will be a decline in the physical properties of wood.A neural network algorithm was employed in this study to establish the relationship between the process parameters of high-temperature and high-pressure thermal modification and the mechanical properties of the wood. Three important parameters: temperature, relative humidity, and treatment time, were considered as the inputs to the neural network. Back propagation (BP) neural network and radial basis function (RBF) neural network models for prediction were built and compared. The comparison showed that the RBF neural network model had advantages in network structure, convergence speed, and generalization capacity. On this basis, the inverse model, reflecting the relationship between the process parameters and the mechanical properties of wood, was established. Given the desired mechanical properties of the wood, the thermal modification process parameters could be inversely optimized and predicted. The results indicated that the model has good learning ability and generalization capacity. This is of great importance for the theoretical and applicational studies of the thermal modification of wood.