A machine learning approach to predicting dynamical observables from network structure

Estimating the outcome of a given dynamical process from structural features is a key unsolved challenge in network science. The goal is hindered by difficulties associated to nonlinearities, correlations and feedbacks between the structure and dynamics of complex systems. In this work, we develop an approach based on machine learning algorithms that is shown to provide an answer to the previous challenge. Specifically, we show that it is possible to estimate the outbreak size of a disease starting from a single node as well as the degree of synchronicity of a system made up of Kuramoto oscillators. In doing so, we show which topological features of the network are key for this estimation, and provide a rank of the importance of network metrics with higher accuracy than previously done. Our approach is general and can be applied to any dynamical process running on top of complex networks. Likewise, our work constitutes an important step towards the application of machine learning methods to unravel dynamical patterns emerging in complex networked systems.