Understanding the Generalization Benefit of Model Invariance from a Data Perspective

Machine learning models that are developed with invariance to certain types of data transformations have demonstrated superior generalization performance in practice. However, the underlying mechanism that explains why invariance leads to better generalization is not well-understood, limiting our ability to select appropriate data transformations for a given dataset. This paper studies the generalization benefit of model invariance by introducing the sample cover induced by transformations, i.e., a representative subset of a dataset that can approximately recover the whole dataset using transformations. Based on this notion, we refine the generalization bound for invariant models and characterize the suitability of a set of data transformations by the sample covering number induced by transformations, i.e., the smallest size of its induced sample covers. We show that the generalization bound can be tightened for suitable transformations that have a small sample covering number. Moreover, our proposed sample covering number can be empirically evaluated, providing a practical guide for selecting transformations to develop model invariance for better generalization. We evaluate the sample covering numbers for commonly used transformations on multiple datasets and demonstrate that the smaller sample covering number for a set of transformations indicates a smaller gap between the test and training error for invariant models, thus validating our propositions.