Due to their unique properties and uninterrupted breakthrough in a myriad of clean energy-related applications, carbon-based materials have received great interest. However, the low selectivity and poor conductivity are two primary difficulties of traditional carbon-based materials (zero-dimensional (0D)/one-dimensional (1D)/two-dimensional (2D)), enerating inefficient hydrogen production and impeding the future commercialization of carbon-based materials. To improve hydrogen production, attempts are made to enlarge the surface area of porous three-dimensional (3D) carbon-based materials, achieve uniform interconnected porous channels, and enhance their stability, especially under extreme conditions. In this review, the structural advantages and performance improvements of porous carbon nanotubes (CNTs), g-C3N4, covalent organic frameworks (COFs), metal-organic frameworks (MOFs), MXenes, and biomass-derived carbon-based materials are firstly summarized, followed by discussing the mechanisms involved and assessing the performance of the main hydrogen production methods. These include, for example, photo/electrocatalytic hydrogen production, release from methanolysis of sodium borohydride, methane decomposition, and pyrolysis-gasification. The role that the active sites of porous carbon-based materials play in promoting charge transport, and enhancing electrical conductivity and stability, in a hydrogen production process is discussed. The current challenges and future directions are also discussed to provide guidelines for the development of next-generation high-efficiency hydrogen 3D porous carbon-based materials prospected.