Impact of neural network initialisation seed and architecture on accuracy, generalisation and generative consistency in data-driven internal combustion engine modelling

Artificial neural networks (ANNs) are widely used to approximate nonlinear mappings, yet their ability to capture thermodynamic behaviour in dynamic physical systems remains insufficiently characterised. This study investigates how representational capacity influences surrogate modelling accuracy for a crank-angle-resolved internal combustion engine (ICE) simulation with a maximum dynamic state dimension of six. Two feedforward ANN configurations are evaluated: a low-capacity 5–5 architecture containing 84 trainable parameters and a high-capacity 25–25–25 architecture containing 1554 parameters (18.5× larger). Both networks approximate the nonlinear mapping from five embedded operating parameters to four peak thermodynamic outputs (maximum pressure, pressure phasing, maximum temperature, and temperature phasing). Evaluation across 53,178 operating points demonstrates that the high-capacity configuration reduces root mean squared error by factors of 30–50× relative to the low-capacity network, decreasing peak temperature error from 17.68 K to 0.36 K and peak pressure error from 0.116 MPa to 0.0025 MPa. Although both models achieve coefficients of determination exceeding 0.99, the low-capacity network exhibits heavy-tailed residual distributions and regime-dependent error amplification, whereas the high-capacity model reduces both central dispersion and extreme-case error. These results demonstrate that high correlation alone does not guarantee engineering reliability in nonlinear thermodynamic systems. Distribution-level analysis, including percentile and extreme-case characterisation, is required to evaluate engineering robustness. The findings provide a quantitative framework linking ANN capacity, nonlinear dynamic system representation, and predictive robustness.