The invasive taxa of Prosopis is rated the world’s top 100 unwanted species, and a lack of spatial data about the invasion dynamics has made the current control and monitoring methods unsuccessful. This study thus tests the use of in situ spectroscopy data with a newly-developed algorithm, guided regularized random forest (GRRF), to spectrally discriminate Prosopis from coexistent acacia species (Acacia karroo, Acacia mellifera and Ziziphus mucronata) in the arid environment of South Africa. Results show that GRRF was able to reduce the high dimensionality of the spectroscopy data and select key wavelengths (n = 11) for discriminating amongst the species. These wavelengths are located at 356.3 nm, 468.5 nm, 531.1 nm, 665.2 nm, 1262.3 nm, 1354.1 nm, 1361.7 nm, 1376.9 nm, 1407.1 nm, 1410.9 nm and 1414.6 nm. The use of these selected wavelengths increases the overall classification accuracy from 79.19% and a Kappa value of 0.7201 when using all wavelengths to 88.59% and a Kappa of 0.8524 when the selected wavelengths were used. Based on our relatively high accuracies and ease of use, it is worth considering the GRRF method for reducing the high dimensionality of spectroscopy data. However, this assertion should receive considerable additional testing and comparison before it is accepted as a substitute for reliable high dimensionality reduction.