Enhancing Conformal Prediction via Class Similarity

Conformal Prediction (CP) has emerged as a powerful statistical framework for high-stakes classification applications. Instead of predicting a single class, CP generates a prediction set, guaranteed to include the true label with a pre-specified probability. The performance of different CP methods is typically assessed by their average prediction set size. In setups where the classes can be partitioned into semantic groups, e.g., diseases that require similar treatment, users can benefit from prediction sets that are not only small on average, but also contain a small number of semantically different groups. This paper begins by addressing this problem and ultimately offers a widely applicable tool for boosting any CP method on any dataset. First, given a class partition, we propose augmenting the CP score function with a term that penalizes predictions with out-of-group errors. We theoretically analyze this strategy and prove its advantages for group-related metrics. Surprisingly, we show mathematically that, for common class partitions, it can also reduce the average set size of any CP score function. Our analysis reveals the class-similarity factors behind this improvement and motivates a variant that can further reduce prediction set size by leveraging the model's embeddings, without requiring any human semantic partition. Finally, we present an extensive empirical study, encompassing prominent CP methods, multiple models, and several datasets, which demonstrates that our class-similarity-based approach consistently enhances CP methods.