Cluster Frequency Conformal Prediction for Local Coverage

Conformal prediction endows arbitrary black-box predictors with finite-sample, distribution-free marginal coverage, yet marginal validity can hide severe covariate-specific miscalibration, while exact distribution-free conditional coverage is finite-sample unattainable. Randomly localized conformal prediction (RLCP) mitigates this gap by calibrating near the test point while preserving marginal coverage. Existing theory, however, lacks finite-sample guarantees for the realized localized set that jointly control conditional validity and oracle efficiency. We provide such guarantees. For any fixed score, under Hölder regularity of the conditional score CDF and standard density and kernel assumptions, we prove high-probability bounds, uniform over a realized localization neighbourhood, for the conditional-coverage gap and the length error relative to the oracle. The bounds decompose into an $O(h^β)$ localization bias and a calibration term decreasing with calibration size, clarifying the bandwidth bias-variance tradeoff and when RLCP tracks the oracle. We also analyze data-split learned scores: when the score targets a pivotal score, as in conformalized quantile regression, uniform local guarantees decompose into fixed-score calibration and uniform score-estimation errors, showing that improved learning sharpens localized guarantees.

Conformal prediction guarantees marginal coverage, but a pooled calibration quantile can hide systematic undercoverage across heterogeneous regions of the feature space. We introduce Self-Organized Conformal Prediction (SOCP), a calibration scheme that discovers input-space groups with an unsupervised Self-Organizing Map (SOM) trained without calibration labels. At prediction time, the query's best-matching unit (BMU) draws a calibration buffer from one cell, a fixed grid neighborhood, or a prototype-based enlargement. When fixed neighborhoods are too sparse, Regime 3 adds cells by prototype distance, using a global budget selected from training-cell occupancies and the planned calibration size before any calibration score is observed. The predictor and nonconformity score remain unchanged. Cell-only retrieval has exact cell-conditional validity, and each fixed union of cells has exact retrieved-set validity. Interpreting a neighborhood threshold at its central cell incurs an explicit Kolmogorov-Smirnov (KS) bias term. Across ten regression and classification benchmarks, SOCP reduces the weighted coverage gap relative to pooled split conformal prediction on nine datasets. The mean relative change is $-14.3\%$, at a mean output-size change of $+3.0\%$. Under fixed-neighborhood retrieval, SO composition lowers the ten-seed mean WCovGap in $43$ of the $50$ dataset-score comparisons, while SO-SCP lowers it on average over paired seeds for every dataset at all three tested external partition granularities. These results provide a concise route to group-local calibration without supervised partitions or predictor retraining with a diagnostic toolkit, while keeping the cost and limits of locality explicit.

Prediction sets should have high coverage to be useful, but some coverage notions are more practically relevant than others. In the classification setting, class-conditional coverage requires that the prediction set (i.e., the set of candidate labels for a new test point) must achieve the target accuracy level within each class, which may be challenging to satisfy when many classes are rare and have few calibration points. At the other extreme, marginal coverage requires only that coverage holds on average over the distribution of all classes, which can lead to low-probability labels being essentially ignored. To find a middle ground, recent work has introduced macro-coverage, defined as the unweighted average of class-conditional coverages. Macro-coverage offers a compromise between marginal coverage and class-conditional coverage that is particularly appropriate for long-tailed settings. In this work, we show that label-weighted conformal prediction can be used to produce prediction sets with a finite-sample macro-coverage guarantee, and more generally a guarantee on a family of generalized macro-coverage objectives that aggregate coverage at the level of arbitrary class groupings and take a weighted average. We further characterize the form of the smallest prediction sets satisfying a given generalized macro-coverage objective and propose a corresponding conformal score function. We validate our theoretical results on two large-scale image classification datasets.