The rising demand for advanced energy systems requires enhanced thermal management strategies to maximize resource utilization and productivity. This study intends to address the critical need for efficient heat transfer mechanisms in industrial energy systems, particularly those relying on pool boiling conditions, by mainly focusing on Critical Heat Flux (CHF). In fact, CHF keeps a limit in thermal system design, beyond which the efficiency of the system drops. Recent research materials have highlighted nanofluids' superior heat transfer properties over conventional pure fluids, like water, which makes them a considerable substitution for improving CHF in cooling systems. However, the broad variability in experimental outcomes challenges the development of a unified predictive model. Besides, Machine Learning (ML) based prediction has shown great accuracy for modelling of the designing parameters, including CHF. Utilizing ML algorithms—Cascade Forward Neural Network (CFNN), Extreme Gradient Boosting (XGBoost), Extra Tree, and Light Gradient Boosting Method (LightGBM)— four predictive models have been developed and the benchmark shows CFNN's superior accuracy with an average goodness of fit of 89.32%, significantly higher than any available model in the literature. Also, the iterative stability analysis demonstrated that this model with a 0.0348 standard deviation and 0.0268 mean absolute deviation is the most stable and robust method that its performance minorly changes with input data. The novelty of the work mainly lies in the prediction of CHF with these advanced algorithms models to enhance the reliability and accuracy of CHF prediction for designing purposes, which are capable to consider many effective parameters into account with very higher accuracy than mathematical fittings. This study not only explains the complex interplay of nanofluid parameters affecting CHF, but also offers practical implications for the design of more efficient thermal management systems, thereby contributing to the broader field of energy system enhancement through innovative cooling solutions.