The widespread adoption of the Internet of Things (IoT) has raised a new challenge for developers since it is prone to known and unknown cyberattacks due to its heterogeneity, flexibility, and close connectivity. To defend against such security breaches, researchers have focused on building sophisticated intrusion detection systems (IDSs) using machine learning (ML) techniques. Although these algorithms notably improve detection performance, they require excessive computing power and resources, which are crucial issues in IoT networks considering the recent trends of decentralized data processing and computing systems. Consequently, many optimization techniques have been incorporated with these ML models. Specifically, a special category of optimizer adopted from the behavior of living creatures and different aspects of natural phenomena, known as metaheuristic algorithms, has been a central focus in recent years and brought about remarkable results. Considering this vital significance, we present a comprehensive and systematic review of various applications of metaheuristics algorithms in developing a machine learning-based IDS, especially for IoT. A significant contribution of this study is the discovery of hidden correlations between these optimization techniques and machine learning models integrated with state-of-the-art IoT-IDSs. In addition, the effectiveness of these metaheuristic algorithms in different applications, such as feature selection, parameter or hyperparameter tuning, and hybrid usages are separately analyzed. Moreover, a taxonomy of existing IoT-IDSs is proposed. Furthermore, we investigate several critical issues related to such integration. Our extensive exploration ends with a discussion of promising optimization algorithms and technologies that can enhance the efficiency of IoT-IDSs.