Machine learning model for predicting surface wettability in laser-textured metal alloys

Surface wettability, governed by both topography and chemistry, plays a critical role in applications such as heat transfer, lubrication, microfluidics, and surface coatings. In this study, we present a machine learning (ML) framework capable of accurately predicting the wettability of laser-textured metal alloys using experimentally derived morphological and chemical features. Superhydrophilic and superhydrophobic surfaces were fabricated on AA6061 and AISI 4130 alloys via nanosecond laser texturing followed by chemical immersion treatments. Surface morphology was quantified using the Laws texture energy method and profilometry, while surface chemistry was characterized through X-ray photoelectron spectroscopy (XPS), extracting features such as functional group polarity, molecular volume, and peak area fraction. These features were used to train an ensemble neural network model incorporating residual connections, batch normalization, and dropout regularization. The model achieved high predictive accuracy (R2 = 0.942, RMSE = 13.896), outperforming previous approaches. Feature importance analysis revealed that surface chemistry had the strongest influence on contact angle prediction, with topographical features also contributing significantly. This work demonstrates the potential of artificial intelligence to model and predict wetting behavior by capturing the complex interplay of surface characteristics, offering a data-driven pathway for designing tailored functional surfaces.

Fast Dual-Regularized Autoencoder for Sparse Biological Data

Relationship inference from sparse data is an important task with applications ranging from product recommendation to drug discovery. A recently proposed linear model for sparse matrix completion has demonstrated surprising advantage in speed and accuracy over more sophisticated recommender systems algorithms. Here we extend the linear model to develop a shallow autoencoder for the dual neighborhood-regularized matrix completion problem. We demonstrate the speed and accuracy advantage of our approach over the existing state-of-the-art in predicting drug-target interactions and drug-disease associations.