AbstractQuestionsEcologists collecting field samples of biological data have a keen interest in addressing the following question: how many rare species are there in as‐yet unsurveyed additional samples? Depending on the size of a targeted additional sample, statistical models for estimating the number of rare species have not been systematically established and compared.LocationGlobal.MethodsFor fairly comparing and predicting rare‐species richness at the same sample‐size baseline, we systematically developed and compared four estimators for rarefaction and extrapolation of rare‐species richness with a given specific abundance. These four estimators included a uniformly minimum variance unbiased (UMVUE), Bayesian‐weighted, Chao‐derived unweighted and naïve estimator.ResultsAfter extensive numerical tests, for conducting rarefaction of rare‐species richness (i.e., when additional sample size was not larger than the original one) it is recommended to implement UMVUE, as it has zero bias and coverage percentage closest to 0.95. However, the performance of Bayesian‐weighted and Chao‐derived estimators is also satisfactory. By contrast, for conducting extrapolation of rare‐species richness (i.e., when the additional sample size is larger than the original one), the Bayesian‐weighted estimator is recommended, as it has the best performance among the four estimators (here UMVUE is inapplicable).ConclusionsThere was no absolute winner, as the different estimators have their own merits and are recommended under different settings. When conducting rarefaction of rare‐species richness, UMVUE, which has the highest accuracy, is recommended. By contrast, when conducting extrapolation of rare‐species richness, the Bayesian‐weighted estimator is recommended, as it has the overall best performance. To facilitate the potential application in the comparison and prediction of rare‐species diversity using rarefaction and extrapolation techniques, an R package (fRSE) has been developed; it is freely distributed at the following URL: https://github.com/ecomol/fRSE.