Machine learning topological defects of confined liquid crystals in two dimensions

Supervised machine learning can be used to classify images with spatially correlated physical features. We demonstrate the concept by using the coordinate files generated from an off-lattice computer simulation of rodlike molecules confined in a square box as an example. Because of the geometric frustrations at high number density, the nematic director field develops an inhomogeneous pattern containing various topological defects as the main physical feature. We describe two machine-learning procedures that can be used to effectively capture the correlation between the defect positions and the nematic directors around them and hence classify the topological defects. First is a feedforward neural network, which requires the aid of presorting the off-lattice simulation data in a coarse-grained fashion. Second is a recurrent neural network, which needs no such sorting and can be directly used for finding spatial correlations. The issues of when to presort a simulation data file and how the network structures affect such a decision are addressed.