Conformal Bayes under Label Shift: Post-Hoc Calibration vs. In-Training Adaptation

Conformal prediction provides distribution-free uncertainty quantification under exchangeability. However, this assumption is violated by label shift, where the marginal distribution of labels changes while the conditional distribution of inputs given labels remains stable. Under such shifts, standard conformal procedures no longer maintain their intended coverage behavior. Existing approaches address this via importance weighting. They pair the reweighting with residual-based nonconformity scores that ignore predictive uncertainty. The resulting intervals have uniform width. Bayesian conformal methods produce adaptive intervals by leveraging predictive distributions. They evaluate conformity under the source predictive, which is misaligned with the target domain under label shift. We propose the \emph{Label-Shift-Adjusted Bayesian Score} (LSA score), a nonconformity score derived from a posterior predictive tilting identity. This identity shows that the target predictive is an importance-weighted transformation of the source predictive. We use it to derive a direct correction to the Bayesian score. We evaluate the method on molecular property prediction under controlled label shift. The LSA score consistently yields shorter intervals than residual-based and source-based Bayesian scores. Coverage in the target domain remains comparable. Under stronger shift, all methods incur some coverage loss due to pseudo-label-based density-ratio estimation. The LSA score is defined for any source predictive with a tractable log-density. We instantiate it with Bayesian Ridge Regression, where the correction admits a closed form.

Conformal prediction converts point predictions into set-valued predictions with coverage guarantees under exchangeability between calibration and deployment data. We study conformal calibration transfer, where this requirement fails because labeled calibration is available only in a source space, while prediction sets are needed in a target space linked to the source through unlabeled paired observations (e.g., paired modalities or sensor changes). We propose Transported Conformal Calibration (TCC): we transport labeled source calibration into the target space using the paired data, and then correct residual post-transport mismatch using only unlabeled target inputs. We instantiate this correction with two complementary methods: TCC-KS, which uses a label-free uncertainty surrogate to detect mismatch and adjust calibration conservatively, and weighted-TCC, which reweights transported calibration toward the target domain for improved efficiency when weights are stable. We provide finite-sample target-domain coverage guarantees that adapt to an observable measure of mismatch. Across CIFAR-100-C, Tiny-ImageNet-C, and SEN12MS, we show reliable target-domain coverage transfer without labeled target calibration data, with label-free diagnostics that predict when correction is needed.

Conformal prediction certifies that a classifier's prediction sets cover the truth, and that certificate is marginal. Many recognition benchmarks build distribution shift into evaluation, placing disjoint conditions in the training and test splits. Under that shift the certificate stays reassuring while per class coverage fails silently: on a real cross subject skeleton benchmark marginal coverage holds near ninety percent while the worst class is covered about seventy percent and ten of sixty classes fall below eighty percent. This class specific undercoverage stays hidden behind a single reassuring marginal number. Once the shift acts jointly on covariates and labels, the target class conditional score law is unidentified, so no label free method is at once per class valid and efficient uniformly over target laws consistent with the observed source joint distribution and target covariate marginal. The per class labels needed to recover every class threshold to a given tolerance grow as the inverse square of that tolerance and the logarithm of the class count, with matching bounds for classwise threshold procedures. Pseudo labels do not shortcut it: the best prediction powered estimator gains at most a small constant factor where coverage collapses. Across three real shifts and an image corruption benchmark, source label calibration recovers much of the gap while marginal coverage holds, and stops once it breaks.