In today’s manufacturing sector, high-quality materials that satisfy customers’ needs at a reduced cost are drawing attention in the global market. Also, as new applications are emerging, high-performance biocomposite products that complement them are required. The production of such high-performance materials requires suitable optimization techniques in the formulation/process design, not simply mixing natural fibre/filler, additives, and plastics and characterization of the resulting biocomposites. However, a comprehensive review of the optimization strategies in biocomposite production intended for infrastructural applications is lacking. This study, therefore, presents a detailed discussion of the various optimization approaches, their strengths, and weaknesses in the formulation/process parameters design of biocomposite manufacturing. The report explores the recent progress in optimization techniques in biocomposite material production to provide baseline information to researchers and industrialists in this field. Therefore, this review consolidates prior studies to explore new areas.