A Unified Theory of Conditional Coverage in Conformal Prediction with Applications

Abstract

Conformal prediction provides prediction sets with finite-sample marginal coverage, but many applications require coverage guarantees that adapt to individual test points, a subpopulation, or a structural component of the data. Existing methods targeting conditional coverage are largely analyzed case by case, leaving limited general theory for understanding where conditional miscoverage comes from, how different procedures should be compared, and how such guarantees can be extended beyond i.i.d.~data. We address these gaps through a unified framework and theory for conformal methods targeting conditional coverage. Our central contribution is a non-asymptotic decomposition of conditional miscoverage into three interpretable components: score-estimation error, finite-sample calibration error, and intrinsic conditional-mismatch error. This decomposition clarifies the mechanisms behind asymptotic conditional validity and places existing methods within a common analytical lens. Building on this framework, we derive principled guidance for conditional-coverage-oriented model selection, and develop localized methods with asymptotic conditional guarantees under covariate shift. Finally, we extend the framework to structured data, with concrete applications to graph-structured and hierarchical settings. Numerical experiments corroborate the theory and demonstrate the effectiveness of the proposed procedures.