This paper introduces a numerical methodology for classifying and identifying types of bio-based materials through experimental thermal characterization. In contrast to prevailing approaches that primarily focus on thermal conductivity, our characterization methodology encompasses several thermal parameters. In this paper, the physical characteristics of seven types of bio-based concrete were analyzed, focusing on the thermal properties of palm- and esparto-fiber-reinforced concrete. The proposed method uses artificial intelligence techniques, specifically the k-means clustering approach, to segregate data into homogeneous groups with shared thermal characteristics. This enables the elucidation of insights and recommendations regarding the utilization of bio-based insulation in building applications. The results show that the k-means algorithm is able to efficiently classify the reference concrete (RC) with a performance of up to 71%. Additionally, the technique is more accurate when retaining only six centroids, which, among other things, allows all the characteristics associated with each type of concrete to be grouped and identified. Indeed, whether for k clusters k = 7 or k = 5, the technique was not able to predict the typical characteristics of 2% or 3% esparto concrete (EC).