Biogas plant operators often face huge challenges in the monitoring, controlling and optimisation of the anaerobic digestion (AD) process, as it is very sensitive to surrounding changes, which often leads to process failure and adversely affects biogas production. Conventional implemented methods and mechanistic models are impractical and find it difficult to model the nonlinear and intricate interactions of the AD process. Thus, the development of machine learning (ML) algorithms has attracted considerable interest in the areas of process optimization, real-time monitoring, perturbation detection and parameter prediction. This paper provides a comprehensive and up-to-date overview of different machine learning algorithms, including artificial neural network (ANN), fuzzy logic (FL), adaptive network-based fuzzy inference system (ANFIS), support vector machine (SVM), genetic algorithm (GA) and particle swarm optimization (PSO) in terms of working mechanism, structure, advantages and disadvantages, as well as their prediction performances in modelling the biogas production. A few recent case studies of their applications and limitations are also critically reviewed and compared, providing useful information and recommendation in the selection and application of different ML algorithms. This review shows that the prediction efficiency of different ML algorithms is greatly impacted by variations in the reactor configurations, operating conditions, influent characteristics, selection of input parameters and network architectures. It is recommended to incorporate mixed liquor volatile suspended solids (MLVSS) concentration of the anaerobic digester (ranging from 16,500 to 46,700 mg/L) as one of the input parameters to improve the prediction efficiency of ML modelling. This review also shows that the combination of different ML algorithms (i.e. hybrid GA-ANN model) could yield better accuracy with higher R2 (0.9986) than conventional algorithms and could improve the optimization model of AD. Besides, future works could be focused on the incorporation of an integrated digital twin system coupled with ML techniques into the existing Supervisory Control and Data Acquisition (SCADA) system of any biogas plant to detect any operational abnormalities and prevent digester upsets.