Decarbonization of the transport sector sets increasingly strict demands to maximize thermal efficiency and minimize greenhouse gas emissions of Internal Combustion Engines. This has led to complex engines with a surge in the number of corresponding tunable parameters in actuator set points and control settings. Automated calibration is therefore essential to keep development time and costs at acceptable levels. In this work, an innovative self-learning calibration method is presented based on in-cylinder pressure curve shaping. This method combines Principal Component Decomposition with constrained Bayesian Optimization. To realize maximal thermal engine efficiency, the optimization problem aims at minimizing the difference between the actual in-cylinder pressure curve and an Idealized Thermodynamic Cycle. By continuously updating a Gaussian Process Regression model of the pressure's Principal Components weights using measurements of the actual operating conditions, the mean in-cylinder pressure curve as well as its uncertainty bounds are learned. This information drives the optimization of calibration parameters, which are automatically adapted while dealing with the risks and uncertainties associated with operational safety and combustion stability. This data-driven method does not require prior knowledge of the system. The proposed method is successfully demonstrated in simulation using a Reactivity Controlled Compression Ignition engine model. The difference between the Gross Indicated Efficiency of the optimal solution found and the true optimum is 0.017%. For this complex engine, the optimal solution was found after 64.4s, which is relatively fast compared to conventional calibration methods.