Conditional Coverage Diagnostics for Conformal Prediction 1 Introduction Contributions. Background on conformal prediction. Notation. 2 Related Work on Evaluating Conditional Coverage Group-based diagnostics. Worst-case slab diagnostic. 3 Evaluating Conditional Coverage 3.1 Excess risk of the target coverage (ERT) Interpretation and examples. Estimation from finite samples. 3.2 Estimating general distances 3.3 Separating over-coverage and under-coverage 3.4 Extensions A proxy for conditional coverage. Evaluating conditional coverage rules. 4 Experiments 4.1 Comparing different classifiers Results. Differences between metrics. 4.2 Comparison with existing metrics Results. 4.3 Real datasets 4.3.1 Regression Multivariate results. 4.3.2 Classification 5 Conclusions A Additional metrics Group-based diagnostics. Representation-based diagnostics (dependence on auxiliary variables). B Estimating Bregman divergences with ERTs C Link with gibbs2025conformal D Extension to a conditional coverage rule E Benchmarking strategies F Strong classifiers Tabular foundation models. Gradient-boosted decision trees. Bagging models. PartitionWise Trade-offs. Discussion and other options. Hardware. G Additional information regarding the experiments G.1 Details on the datasets H Additional experiments Synthetic dataset Uni-variate regression. Multivariate regression 1 1 affiliationtext: Sierra team, Inria Paris, France {sacha.braun, francis.bach}@inria.fr 2 2 affiliationtext: Ecole Normale Supérieure, PSL Research University, Paris 3 3 affiliationtext: Soda team, Inria Paris-Saclay, France david.holzmuller@inria.fr 4 4 affiliationtext: Departments of EECS and Statistics, UC Berkeley, USA jordan@cs.berkeley.edu Conditional Coverage Diagnostics for Conformal Prediction Sacha Braun David Holzmüller Michael I. Jordan Francis Bach Abstract Evaluating conditional coverage remains one of the most persistent challenges in assessing the reliability of predictive systems. Although conformal methods can give guarantees on marginal coverage, no method can guarantee to produce sets with correct conditional coverage, leaving practitioners without a clear way to interpret local deviations. To overcome sample-inefficiency and overfitting issues of existing metrics, we cast conditional coverage estimation as a classification problem. Conditional coverage is violated if and only if any classifier can achieve lower risk than the target coverage. Through the choice of a (proper) loss function, the resulting risk difference gives a conservative estimate of natural miscoverage measures such as L1 and L2 distance, and can even separate the effects of over- and under-coverage, as well as handle non-constant target coverages. We call the resulting family of metrics excess risk of the target coverage (ERT). We show experimentally that the use of modern classifiers provides much higher statistical power than simple classifiers underlying established metrics like CovGap. Additionally, we use our metric to benchmark different conformal prediction methods. Finally, we release an open-source package for ERT as well as previous conditional coverage metrics. Together, these contributions provide a new lens for understanding, diagnosing, and improving the conditional reliability of predictive systems. 1 Introduction Uncertainty quantification is central to decision-making across science, engineering, and policy. In many applications, the goal is not a single point prediction but a set of plausible outcomes with a desired confidence level. This is formalized by a predictive set rule C ​ ( ⋅ ) C(\cdot) , which outputs a region expected to contain the true outcome with a desired probability. Such predictive sets capture data noise, model imperfections, and variability, supporting safer decisions and clearer communication of model confidence. Conformal prediction (CP) offers a general framework for constructing prediction sets with finite-sample coverage guarantees ( vovk2005algorithmic ; shafer2008tutorial ) . Its only requirement is that the available data samples are exchangeable: a condition even weaker than the standard independent and identically distributed (i.i.d.) assumption. In recent years, CP has rapidly emerged as a go-to tool for adding rigorous, model-agnostic uncertainty estimates to modern black-box predictors ( angelopoulos2021gentle ) . This makes it especially appealing for scientific and industrial applications where formal guarantees on model predictions are essential. CP’s simplicity hides an important drawback: it only guarantees marginal coverage , which means that the constructed prediction set contains the true outcome with probability 1 − α 1-\alpha on average across the population. That is, the coverage is right on average, but not necessarily for each individual. In practice one often desires conditional coverage ; i.e., asking that the coverage guarantee holds not only on average but also for specific subpopulations or feature values. Achieving exact conditional coverage is impossible in general without strong distributional assumptions ( vovk2012conditional ; lei2014distribution ; foygel2021limits ) , and even approximate versions are notoriously difficult to deploy. Improving conditional coverage in CP typically requires carefully designed nonconformity scores. Common strategies rely on models that provide uncertainty estimates, such as quantile regression ( romano2019conformalized ) , predictive distributions ( izbicki2022cd ; braun2025multivariate ) , or local score adjustments ( guan2023localized ; messoudi2022ellipsoidal ; thurin2025optimal ) . Recent work proposes post hoc corrections that directly model conditional quantiles of the nonconformity score ( plassier2025rectifying ) . There is, however, a difficulty in assessing whether progress is being made in this literature, which is the lack of standard way to evaluate conditional coverage and thereby compare algorithms. The fundamental problem of the evaluation of conditional coverage is the focus of the current paper. Evaluating conditional coverage is difficult. Group-based diagnostics, such as fairness-style coverage gaps ( ding2023class ) , require large sample sizes per group and are highly sensitive to group definitions. Geometric scans such as worst-case slab coverage (WSC, cauchois2021knowing ) offer a more adaptive view but suffer from severe sample complexity in high dimensions. Dependence-based diagnostics ( feldman2021improving ) capture correlations between coverage and auxiliary variables but do not provide a standalone notion of conditional validity. In short, there is still no robust, general-purpose metric for assessing conditional coverage in practice. Contributions. We address this gap by reframing conditional coverage evaluation as a supervised prediction task: given features X ∈ 𝒳 X\in\mathcal{X} , predict whether the label Y ∈ 𝒴 Y\in\mathcal{Y} falls inside the predictive set C α ​ ( X ) C_{\alpha}(X) , where ( X , Y ) ∼ ℙ X , Y (X,Y)\sim{\mathbb{P}}_{X,Y} . Under perfect conditional coverage, for any proper loss ℓ \ell the Bayes-optimal predictor, h : 𝒳 → 𝒴 h:\mathcal{X}\to\mathcal{Y} , which is defined as the minimizer of the risk 𝔼 [ ℓ ( h ( X ) , 𝟙 { Y ∈ C α ( X ) } ] {\mathbb{E}}[\ell(h(X),{\mathbbm{1}}\{Y\in C_{\alpha}(X)\}] is the constant 1 − α 1-\alpha . Consequently, any predictor that consistently outperforms this constant directly exposes a violation of conditional coverage. Building on this insight, we introduce the excess risk of the target coverage ( ℓ ​ -ERT \ell\textrm{-ERT} ) metric to quantify deviations from conditional validity. Our metric provides an estimate of 𝔼 X ​ [ D φ ​ ( p ​ ( X ) ∥ 1 − α ) ] {\mathbb{E}}_{X}[D_{\varphi}(p(X)\|1-\alpha)] where D φ D_{\varphi} is the Bregman divergence of a convex function φ \varphi ( bregman1967relaxation ) . For instance, we can reliably estimate the quantity 𝔼 [ | 1 − α − ℙ ( Y ∈ C α ( X ) | X ) | ] \mathbb{E}[\,|1-\alpha-{\mathbb{P}}(Y\in C_{\alpha}(X)|X)|\,] . To contextualize our contribution, we establish a formal connection between existing group-based diagnostics and our metrics, showing that our formulation generalizes partition-based estimators to arbitrary predictor classes. This unified perspective unlocks the full potential of functional estimation, integrating both parametric and nonparametric approaches to assess conditional coverage, moving beyond heuristic group evaluations toward principled, model-based inference. Through experiments, we demonstrate that our proposed conditional coverage metrics are empirically more robust, that is, less prone to misleading diagnostics, than existing alternatives. Finally, we benchmark several conformal prediction methods on real-world regression and classification tasks to compare their conditional coverage performance. To support reproducibility and to catalyze further progress in conformal prediction, we release covmetrics 1 1 1 https://github.com/ElSacho/covmetrics , an open-source package for evaluating conditional coverage using our approach alongside established metrics. Overall, this work casts conditional coverage evaluation as a key missing piece for practical conformal prediction, and offers new tools to fill the gap. Background on conformal prediction. We begin with a brief overview of split conformal prediction , a widely used and computationally simple approach for constructing prediction sets with marginal validity guarantees ( papadopoulos2002inductive ; lei2018distribution ; angelopoulos2021gentle ) . Suppose we observe data 𝒟 = { ( X i , Y i ) } i = 1 n \mathcal{D}=\{(X_{i},Y_{i})\}_{i=1}^{n} sampled i.i.d. from a joint distribution ℙ X , Y \mathbb{P}_{X,Y} , where X i ∈ 𝒳 X_{i}\in\mathcal{X} are feature vectors and Y i ∈ 𝒴 Y_{i}\in\mathcal{Y} are outcomes. For a new test pair, ( X test , Y test ) (X_{\text{test}},Y_{\text{test}}) , the aim is to form a predictive set C α ​ ( X test ) C_{\alpha}(X_{\text{test}}) such that ℙ X , Y ​ ( Y test ∈ C α ​ ( X test ) ) = 1 − α . \displaystyle{\mathbb{P}}_{X,Y}\!\left(Y_{\text{test}}\in C_{\alpha}(X_{\text{test}})\right)=1-\alpha. To achieve this, the dataset is randomly divided into two parts: a training set 𝒟 1 \mathcal{D}_{1} of size n 1 n_{1} and a calibration set 𝒟 2 \mathcal{D}_{2} of size n 2 n_{2} . A predictive model is fit on 𝒟 1 \mathcal{D}_{1} , while 𝒟 2 \mathcal{D}_{2} is reserved for calibrating the prediction sets. Central to the procedure is a nonconformity score S ​ ( X , Y ) ∈ ℝ S(X,Y)\in\mathbb{R} , which quantifies how atypical a candidate response Y Y is relative to the model. Using these scores, the predictive sets are then computed as: C α ​ ( X test ) = { y : S ​ ( X test , y ) ≤ q ^ α } , C_{\alpha}(X_{\text{test}})=\left\{y:S(X_{\text{test}},y)\leq\hat{q}_{\alpha}\right\}, (1) with q ^ α := Q 1 − α ​ ( 1 n 2 + 1 ​ ∑ k = 1 n 2 δ S ​ ( X k , Y k ) + δ ∞ n 2 + 1 ) , \hat{q}_{\alpha}:=Q_{1-\alpha}\!\left(\frac{1}{n_{2}+1}\sum_{k=1}^{n_{2}}\delta_{S(X_{k},Y_{k})}+\frac{\delta_{\infty}}{\,n_{2}+1}\right), (2) where Q 1 − α ​ ( ℙ ) Q_{1-\alpha}({\mathbb{P}}) returns the 1 − α 1-\alpha quantile of the distribution ℙ {\mathbb{P}} , and δ x \delta_{x} is the Dirac measure centered at x x . By the exchangeability of the data, this construction guarantees the marginal coverage property: ℙ X , Y ​ ( Y test ∈ C α ​ ( X test ) ∣ 𝒟 1 ) ∈ [ 1 − α , 1 − α + 1 n 2 + 1 ) . {\mathbb{P}}_{X,Y}\!\left(Y_{\text{test}}\in C_{\alpha}(X_{\text{test}})\mid\mathcal{D}_{1}\right)\in\Bigg[1-\alpha,1-\alpha+\cfrac{1}{n_{2}+1}\,\Bigg). It is important to note that the guarantee in Eq. ( 1 ) is marginal, which means that coverage holds on average over the distribution of X test X_{\textrm{test}} and 𝒟 2 \mathcal{D}_{2} . A stronger requirement is conditional coverage , which demands ℙ Y | X ( Y test ∈ C α ( X test ) | X test ) = 1 − α , \displaystyle{\mathbb{P}}_{Y|X}\!\left(Y_{\text{test}}\in C_{\alpha}(X_{\text{test}})\,\middle|\,X_{\text{test}}\right)=1-\alpha, (3) for almost every X test X_{\text{test}} , but achieving ( 3 ) is impossible in general without additional assumptions. For a given conformal prediction strategy that achieves marginal coverage ( 1 ), it is essential to be able to measure how close from a conditional guarantee ( 3 ) we are. Notation. We denote by 𝟙 x ∈ A {\mathbbm{1}}_{x\in A} the indicator function, equal to 1 if x ∈ A x\in A and to 0 if x ∉ A x\notin A , for some set A A . We denote by sgn ⁡ ( x ) \operatorname{sgn}(x) the function that returns the sign of x ∈ ℝ x\in\mathbb{R} , where sgn ⁡ ( 0 ) = 0 \operatorname{sgn}(0)=0 . We write Δ d := { p ∈ ℝ d | p i ≥ 0 ​ ∀ i = 1 , … , d , ∑ i = 1 d p i = 1 } \Delta_{d}:=\Big\{p\in\mathbb{R}^{d}\;\Big|\;p_{i}\geq 0\ \forall i=1,\dots,d,\ \sum_{i=1}^{d}p_{i}=1\Big\} to denote the probability simplex. 2 Related Work on Evaluating Conditional Coverage In the following, we assume that a predictive model has already been trained to produce a predictive set rule C α ​ ( ⋅ ) C_{\alpha}(\cdot) for the output variable Y ∈ 𝒴 Y\in\mathcal{Y} , given a feature vector X ∈ 𝒳 X\in\mathcal{X} . We are given a test dataset, 𝒟 test = { ( X i , Y i ) } i = 1 m \mathcal{D}_{\text{test}}=\{(X_{i},Y_{i})\}_{i=1}^{m} , to evaluate the conditional coverage of this predictive strategy. The test samples are assumed to be sampled i.i.d. from the distribution ℙ X , Y {\mathbb{P}}_{X,Y} and unseen during training. Group-based diagnostics. A common way to study conditional coverage for a predictive set C α ​ ( ⋅ ) C_{\alpha}(\cdot) is to evaluate coverage over subpopulations or other partitions of the data. To make this concrete, fix a finite set of groups 𝒢 \mathcal{G} and a mapping g : 𝒳 → 𝒢 g:\mathcal{X}\to\mathcal{G} that assigns each feature x ∈ 𝒳 x\in\mathcal{X} , to a group g ​ ( x ) ∈ 𝒢 g(x)\in\mathcal{G} . For a given group g ∈ 𝒢 \textbf{g}\in\mathcal{G} and a test sample with indices ℐ g = { i : g ​ ( X i ) = g } \mathcal{I}_{\textbf{g}}=\{i:g(X_{i})=\textbf{g}\} , the empirical coverage in group g is C g = 1 | ℐ g | ​ ∑ i ∈ ℐ g 𝟙 ​ { Y i ∈ C α ​ ( X i ) } . C_{\textbf{g}}\;=\;\frac{1}{|\mathcal{I}_{\textbf{g}}|}\sum_{i\in\mathcal{I}_{\textbf{g}}}{\mathbbm{1}}\{Y_{i}\in C_{\alpha}(X_{i})\}. We review several strategies for defining these groups in Appendix A . Unless stated otherwise, in the following, the groups are obtained by clustering the feature space using the k-means algorithm. Below we review strategies that use such groupings to diagnose conditional miscoverage. • Coverage gap (CovGap). This measure the average absolute deviation from the target coverage across groups, CovGap = 1 | 𝒢 | ​ ∑ 𝐠 ∈ 𝒢 | C g − ( 1 − α ) | . \text{CovGap}\;=\;\frac{1}{|\mathcal{G}|}\sum_{\mathbf{g}\in\mathcal{G}}\big|C_{\textbf{g}}-(1-\alpha)\big|. This metric is one of the most commonly used metrics in the literature (see, e.g, ding2023class ; kaur2025conformal ; zhu2025predicate ; fillioux2024foundation ; liu2025conformal ). A problem is that CovGap requires a large number of samples within each group to be consistent. • Weighted coverage gap (WCovGap). To connect CovGap to our main metrics, we introduce its corrected version that assigns a weight to each group’s coverage gap: WCovGap = ∑ 𝐠 ∈ 𝒢 | ℐ 𝐠 | m ​ | C 𝐠 − ( 1 − α ) | . \textrm{WCovGap}\;=\;\sum_{\mathbf{g}\in\mathcal{G}}\frac{|\mathcal{I}_{\mathbf{g}}|}{m}\,\big|C_{\mathbf{g}}-(1-\alpha)\big|. This formulation highlights that this metric can be interpreted as nonparametric estimators of the quantity, L 1 -Miscoverage := 𝔼 X [ | ℙ Y | X ( Y ∈ C α ( X ) ∣ X ) − ( 1 − α ) | ] . \text{L}_{1}\text{-Miscoverage}:=\mathbb{E}_{X}\big[\,\big|\mathbb{P}_{Y|X}(Y\in C_{\alpha}(X)\mid X)-(1-\alpha)\big|\,\big]. Indeed, CovGap ​ ( X ) := C g ​ ( X ) \mathrm{CovGap}(X):=C_{g(X)} is an estimate of ℙ ​ ( Y ∈ C α ​ ( X ) ∣ g ​ ( X ) = 𝐠 ) \mathbb{P}(Y\in C_{\alpha}(X)\mid g(X)=\mathbf{g}) , and | ℐ 𝐠 | m \frac{|\mathcal{I}_{\mathbf{g}}|}{m} an estimate of ℙ X ​ ( g ​ ( X ) = 𝐠 ) {\mathbb{P}}_{X}(g(X)=\mathbf{g}) . Under standard regularity assumptions, specifically, if the partition 𝒢 \mathcal{G} becomes increasingly fine (i.e., the number of groups tends to infinity while their diameters shrink to zero) and if h ∗ ​ ( X ) := 𝔼 ​ [ 1 Y ∈ C α ​ ( X ) ∣ X ] h^{*}(X):=\mathbb{E}[1_{Y\in C_{\alpha}(X)}\mid X] is Lipschitz-continuous, then the groupwise coverage C 𝐠 C_{\mathbf{g}} converges to the true conditional coverage ℙ Y | X ​ ( Y ∈ C α ​ ( X ) ∣ X ) \mathbb{P}_{Y|X}(Y\in C_{\alpha}(X)\mid X) (see, e.g, gyorfi2005distribution ; bach2024learning ). Consequently, the weighted CovGap (WCovGap) metric provides a nonparametric estimate of the stated quantity. If the groups are balanced in size, the metric CovGap admits the same type of probabilistic interpretation. This observation is central to understanding the positioning of our work: previous strategies can be seen as partition-wise estimators of conditional coverage. In contrast, our approach leverages modern classifiers to obtain a more accurate estimation of conditional coverage. Worst-case slab diagnostic. Rather than pre-specified groups, some diagnostics scan geometric slices of the feature space, if 𝒳 ⊂ ℝ d \mathcal{X}\subset\mathbb{R}^{d} . This strategy is commonly refer to as the worst-case slab coverage (WSC, cauchois2021knowing ) . • Worst-case slab coverage (WSC). For a direction v ∈ ℝ d v\in\mathbb{R}^{d} and scalars a < b a