The main objective of this work was to estimate the usefulness of response surface methodology (RSM) and genetic algorithm (GA) in modeling and predicting the strength of jute/poly(lactic acid) (PLA) composite laminates. Firstly, the impact of the hot water treatment on the thermal, molecular structure, and morphological characterizations as well as kinetic analysis of jute fibers were performed by Thermogravimetric analysis (TGA), Fourier transform infrared spectroscopy (FTIR), Scanning electron microscopy (SEM). The FTIR results showed that the hot water treatments reduced the content of lignin, hemicellulose, and impurities of the fibers. Hot water treated fibers exhibited higher thermal stabilities compared with untreated fibers as shown with TGA results. The SEM results showed effect contact surface area improved after the hot water treatment, leading to better mechanical properties of bio‐composites. Secondly, the influences of the ply orientation, plies and fiber content on the tensile strength and flexural strength of the hot water treated fibers composites were evaluated by RSM. RSM with the Box Behnken Design was utilized to establish the quadratic models of two objectives in response to input parameters. Analysis of variance (ANOVA) was used to determine percentage contribution of various parameters on two quality objectives. According to the ANOVA results, ply orientation had the most important impact on tensile strength while the ply orientation‐fiber content interaction had the most important impact on flexural strength. Finally, multi‐objective optimization was carried out to maximize tensile strength and flexural strength using the desirability function and GA. The optimized results both showed an acceptable relative error between experimental and optimized values.