Autism spectrum disorder (ASD) is a complex neurobehavioral condition that begins in childhood and continues throughout life, affecting communication and verbal and behavioral skills. It is challenging to discover autism in the early stages of life, which prompted researchers to intensify efforts to reach the best solutions to treat this challenge by introducing artificial intelligence (AI) techniques and machine learning (ML) algorithms, which played an essential role in greatly assisting the medical and healthcare staff and trying to obtain the highest predictive results for autism spectrum disorder. This study is aimed at systematically reviewing the literature related to the criteria, including multimedical tests and sociodemographic characteristics in AI techniques and ML contributions. Accordingly, this study checked the Web of Science (WoS), Science Direct (SD), IEEE Xplore digital library, and Scopus databases. A set of 944 articles from 2017 to 2021 is collected to reveal a clear picture and better understand all the academic literature through a definitive collection of 40 articles based on our inclusion and exclusion criteria. The selected articles were divided based on similarity, objective, and aim evidence across studies. They are divided into two main categories: the first category is “diagnosis of ASD based on questionnaires and sociodemographic features” (
n
=
39
). This category contains a subsection that consists of three categories: (a) early diagnosis of ASD towards analysis, (b) diagnosis of ASD towards prediction, and (c) diagnosis of ASD based on resampling techniques. The second category consists of “diagnosis ASD based on medical and family characteristic features” (
n
=
1
). This multidisciplinary systematic review revealed the taxonomy, motivations, recommendations, and challenges of diagnosis ASD research in utilizing AI techniques and ML algorithms that need synergistic attention. Thus, this systematic review performs a comprehensive science mapping analysis and identifies the open issues that help accomplish the recommended solution of diagnosis ASD research. Finally, this study critically reviews the literature and attempts to address the diagnosis ASD research gaps in knowledge and highlights the available ASD datasets, AI techniques and ML algorithms, and the feature selection methods that have been collected from the final set of articles.