Variational quantum algorithm for forecasting drugs for corrosion inhibitor

This study explores the development and evaluation of a Variational Quantum Algorithm (VQA) for predicting a drug as a corrosion inhibitor, highlighting its advantages over traditional regression models. The VQA leverages quantum-enhanced feature mapping and optimization techniques to capture complex, non-linear relationships within the data. Comparative analysis with AutoRegressive with exogenous inputs (ARX) and Gradient Boosting (GB) models demonstrate the superior performance of VQA across key metrics, including Root Mean Squared Error (RMSE), Mean Absolute Error (MAE), and Mean Absolute Deviation (MAD). The VQA achieved the lowest RMSE (4.40), MAE (3.33), and MAD (3.17) values, indicating enhanced predictive accuracy and stability. These results underscore the potential of quantum machine learning techniques in advancing predictive modeling capabilities, offering significant improvements in accuracy and consistency over classical methods. The findings suggest that VQA is a promising approach for applications requiring high precision and reliability, paving the way for broader adoption of quantum-enhanced models in material science and beyond.