Methods, apparatus, systems, and articles of manufacture for allocating a workload to an accelerator using machine learning are disclosed. An example apparatus includes a workload attribute determiner to identify a first attribute of a first workload and a second attribute of a second workload. An accelerator selection processor causes at least a portion of the first workload to be executed by at least two accelerators, accesses respective performance metrics corresponding to execution of the first workload by the at least two accelerators, and selects a first accelerator of the at least two accelerators based on the performance metrics. A neural network trainer trains a machine learning model based on an association between the first accelerator and the first attribute of the first workload. A neural network processor processes, using the machine learning model, the second attribute to select one of the at least two accelerators to execute the second workload.