Adaptive AI-based surrogate modelling via transfer learning for DEM simulation of multi-component segregation

Segregation of granular materials is a critical challenge in many industries, often aimed at being controlled or minimised. The discrete element method (DEM) offers valuable insights into this phenomenon. However, calibrating DEM models is a crucial, albeit time-consuming, step. Recently, using machine learning (ML)-based surrogate models (SMs) in the calibration process has emerged as a promising solution. Nevertheless, developing such SMs is challenging due to the high number of DEM simulations required for training. Additionally, choosing a suitable ML model is not trivial. This study aims to develop SMs that effectively link particle-particle and particle-wall DEM interaction parameters to segregation of a multi-component mixture. We evaluate several ML models, ranging from artificial neural networks to ensemble learning, that are trained on a very cost-effective dataset, employing Bayesian optimisation with cross-validation to tune their hyperparameters. Next, we introduce a novel transfer learning (TL)-based approach that leverages knowledge from a few scenarios to handle new "unseen" ones. This method enables the construction of adaptive SMs for unseen scenarios, such as a new initial configuration (IC) of granular mixtures, without the need for a full-sized dataset. Our findings indicate that Gaussian process regression (GPR) efficiently builds accurate SMs on a very small dataset. We also demonstrate that only a few samples are required to build an accurate SM for the unseen IC, which significantly reduces the data preparation burden. By incorporating one and five samples from unseen scenarios to update the TL-GPR-based surrogate model, the SM's performance (based on $$\:{R}^{2}$$ ) on unseen scenarios improves by 17 and 47%, respectively. The insights and methodology presented in this study will facilitate and accelerate the development of accurate SMs for DEM calibration, assisting in developing reliable DEM models in a shorter timeframe.