Recently, mobile networking systems have been designed with more complexity of infrastructure and higher diversity of associated devices and resources, as well as more dynamical formations of networks, due to the fast development of current Internet and mobile communication industry. In such emerging mobile heterogeneous networks (HetNets), there are a large number of technical challenges focusing on the efficient organization, management, maintenance, and optimization, over the complicated system resources. In particular, HetNets have attracted great interest from academia and industry in deploying more effective solutions based on artificial intelligence (AI) techniques, e.g., machine learning, bio-inspired algorithms, fuzzy neural network, and so on, because AI techniques can naturally handle the problems of large-scale complex systems, such as HetNets towards more intelligent and automatic-evolving ones. In this paper, we discuss the state-of-the-art AI-based techniques for evolving the smarter HetNets infrastructure and systems, focusing on the research issues of self-configuration, self-healing, and self-optimization, respectively. A detailed taxonomy of the related AI-based techniques of HetNets is also shown by discussing the pros and cons for various AI-based techniques for different problems in HetNets. Opening research issues and pending challenges are concluded as well, which can provide guidelines for future research work.INDEX TERMS Artificial intelligence, genetic algorithms, ant colony optimization, self-organization networks, heterogeneous networks.