Abstract Modern advancements in laboratory and instrumental techniques in astrobiology have improved our life detection capabilities on both Earth and beyond. These advancements have also increased the complexity of data often resulting in data sets that are characterized by complex and non‐linear relationships. Machine learning methods are underutilized in astrobiology; however, these methods are extremely effective at revealing structure and patterns in complex data sets when paired with the right algorithms. Here, we employ a series of classification and regression algorithms to predict the abundance of organic carbon (OC) from X‐ray fluorescence (XRF) heavy element (>Mg) data in dynamic Mars‐analog hypersaline lake sediments. More specifically, we constructed models using the random forest, k‐nearest neighbors (KNN), support vector machine, and logistic regression algorithms. Overall, our trained models showed good performance with predicting the abundance of OC, with accuracies from 80% to 94%. Machine learning approaches such as classification and regression algorithms offer insight into complex data while providing agnostic insights, ultimately creating
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