cs.LGFeb 2, 2026

Beyond Prediction-Set Size: Quantifying Conformal Uncertainty through Credal Geometry

Authors: Siu Lun Chau, Soroush H. Zargarbashi, Yusuf Sale, Michele Caprio

Organizations: Epistemic Intelligence & Computation Lab, College of Computing & Data Science, Nanyang Technological University, Singapore · CISPA Helmholtz Center for Information Security, Germany · Munich Center for Machine Learning; Institute of Informatics, LMU Munich, Germany · Munich Center for Machine Learning, Germany · Manchester Centre for AI Fundamentals, Manchester, United Kingdom · Department of Computer Science, The University of Manchester, United Kingdom

Abstract

Prediction-set size offers a coarse summary of conformal uncertainty. We develop a richer perspective through the geometry of credal sets: families of probability distributions compatible with conformal prediction (CP) regions. We establish this representation for split CP, extending a correspondence recently identified for full CP. Building on this representation, we derive analytical characterisations and exact algorithms for several widely used credal uncertainty measures, reducing potentially exponential computations to linear time after sorting the conformal p-values. We further unify several of these measures with classical conformal summaries by integrating set-size penalties based on Tsallis entropies across error levels. We also prove an impossibility theorem: for common split-conformal regression constructions, uncertainty summaries of the induced credal sets cannot distinguish between inputs. Classification experiments on selective prediction and distribution-shift detection show that these summaries often recover useful ranking information lost by prediction-set size at a fixed error level, enabling finer-grained uncertainty assessment. These results establish credal geometry as a principled framework for quantifying conformal uncertainty and understanding its limitations.

Figures & tables

Appendix figures & tables47 assets

Supplementary material from the paper’s appendix.

Appendix

Explore similar work

Oct 6, 2026

Conformal Prediction Sets Quantify Information Gain: A Theoretical Perspective

Conformal prediction is a popular tool for uncertainty quantification that outputs prediction sets with finite-sample coverage guarantees. While prediction set size is commonly used as a heuristic measure of uncertainty, the information-theoretic basis for this interpretation remains poorly understood. In this work, we provide such a foundation using a decision-theoretic generalization of entropy tailored to set-valued prediction. In particular, we introduce a family of generalized information measures based on the size and coverage of conformal prediction sets. Notably, Shannon mutual information admits an exact integral representation in terms of these measures. We then show that, in standard classification settings, the reduction in conformal set size from additional information (i) is sandwiched between calibration-dependent members of this family and (ii) obeys a data processing inequality, both up to finite-sample calibration and model error terms. Together, our results formally relate conformal prediction to classical information-theoretic quantities and justify using set-size reduction as an information gain metric. Empirically, we validate our theory across 11 classification settings and show that set-size reduction and Shannon mutual information can rank features differently in a greedy feature selection experiment.
May 25, 2025

Optimal Conformal Prediction under Epistemic Uncertainty

Conformal prediction (CP) is a widely used frequentist framework to quantify uncertainty by constructing prediction sets with user-specified marginal coverage guarantees. In practice, CP is typically applied on top of probabilistic classifiers, which are able to express aleatoric but not epistemic uncertainty. In this paper, we consider the question of how to optimally employ CP on top of a more expressive formalism, namely credal sets, which can express both aleatoric and epistemic uncertainty. More specifically, we propose probabilistic Bernoulli prediction sets (BPS) and derive a variant that achieves conditional coverage for valid credal sets while remaining minimal in expected size. We then address the more realistic scenario in which the validity of the credal sets is not guaranteed. Assuming access to calibration data with ground-truth distributions over labels, we apply conformal risk control to BPS and derive a PAC-style guarantee: with high probability over the data, the achieved conditional coverage is at least the desired level. We validate our theoretical findings empirically over various datasets.
Nov 19, 2025

Beyond Uncertainty Sets: Leveraging Optimal Transport to Extend Conformal Predictive Distributions to Multivariate Settings

Conformal prediction (CP) constructs uncertainty sets for model outputs with finite-sample coverage guarantees. Yet ranking scores is straightforward only when they are scalar-valued, limiting CP to real-valued scores or ad-hoc one-dimensional reductions. Vector-valued scores arise naturally in multi-output regression and model aggregation, where each predictor in an ensemble provides its own score. Optimal transport (OT) defines vector ranks and center-outward multivariate quantile regions, though generally with asymptotic coverage guarantees. Applying a fixed transport map learned from calibration data to a new point introduces an uncontrolled approximation error. We restore finite-sample, distribution-free coverage by conformalizing vector-valued OT quantile regions. Each candidate's rank is defined by transporting the calibration scores augmented with that candidate's score, preserving the symmetry needed for validity. This appears to require a continuum of OT problems. However, we prove that the optimal assignment is piecewise constant across a fixed polyhedral partition of score space. This lets us characterize the entire prediction set in O(n3)O(n^3) time, matching the cost of a single assignment solve. It also addresses a limitation of prediction sets: they indicate which outcomes are plausible, but not their relative likelihood. In one dimension, conformal predictive distributions (CPDs) fill this gap by producing a predictive distribution with finite-sample calibration. Extending CPDs beyond one dimension remained an open problem. We construct, to our knowledge, the first multivariate CPDs with finite-sample calibration: a center-outward predictive distribution whose derived uncertainty regions have conformal coverage. We present both conservative and exact randomized versions; the latter generalizes the classical Dempster-Hill procedure.