Rayleigh waves are successfully employed for the characterization of surface defects through the utilization of both time and frequency domain analysis. However, a significant challenge arises when attempting to cover a broad range of the defect depth to Rayleigh wavelength ratio with a single method. This paper presents an enhanced methodology that integrates optimized machine learning (ML) algorithms to expand the coverage of defect depth assessment. An experimentally validated numerical model is firstly established to simulate the interaction of Rayleigh waves with surface defects and utilized to generate a significant quantity of labeled Rayleigh wave signals. The features of received Rayleigh wave patterns are effectively extracted and serve as indicators of defect parameters. The ML framework encompasses the extraction and selection of optimal features, the construction of model architecture, and the tuning of hyperparameters. Three dimensionality optimization techniques—principal component analysis, correlation coefficient analysis, and expert knowledge integration—are compared. Additionally, six machine learning models (decision tree, support vector machine, k-nearest neighbors, random forest, gradient-boosting machine, and artificial neural network) are optimized using particle swarm optimization and subjected to comparison. The results reveal that: (1) principal component analysis yields the highest performance, suggesting the potential for feature dimensionality reduction without relying on expert knowledge; (2) among the models examined, the random forest model and artificial neural network with hyperparameter tuning demonstrate superior performance in predicting defect depth; and (3) the optimized machine learning methods consistently outperform empirical approaches in accurately predicting defect depths across a wide range. Furthermore, the proposed method shows promise for extension to determine additional parameters associated with surface defects, including their width and angle of inclination.
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