arXiv:2607. 22985v1 Announce Type: cross Abstract: Conformalized selection has been widely applied to select high-quality candidates from large datasets with rigorous uncertainty quantification, such as reliable labeling, drug discovery, and the alignment of large language models.
arXiv:2607. 03161v1 Announce Type: cross Abstract: In selective deployment, practitioners act only on a model-chosen subset of individuals based on predicted conditional average treatment effects, but marginal conformal guarantees need not control reliability on that selected subset.
The paper introduces a conformal prediction framework designed for molecular property prediction under label shift. By weighting conformal scores with marginal label probability ratios, it generates statistically rigorous prediction intervals without retraining, enabling robust uncertainty quantification when property distributions change. This approach provides actionable confidence measures that improve the reliability of AI-driven predictions in drug discovery.
The paper introduces the Label-Shift-Adjusted Bayesian Score (LSA score), a nonconformity measure for conformal prediction that corrects Bayesian scores under label shift by applying an importance-weighted transformation of the source predictive distribution. Unlike residual-based scores that produce uniform-width intervals, the LSA score yields shorter, adaptive intervals while maintaining comparable coverage in the target domain. Experiments on molecular property prediction demonstrate that the LSA score outperforms both residual-based and source-based Bayesian scores, though all methods experience some coverage loss under stronger shifts due to density-ratio estimation challenges.
arXiv:2607. 06605v1 Announce Type: new Abstract: Conformal prediction is being adopted in drug discovery to put an honest number on model reliability: pick an error rate alpha, and the method returns prediction sets containing the true label with probability at least 1 - alpha.
arXiv:2605. 20726v2 Announce Type: replace-cross Abstract: Modern applications of conformal inference to multiple testing problems, such as outlier detection and candidate selection, often involve selecting test samples whose conformal p-values fall below a threshold.
arXiv:2509. 15120v2 Announce Type: replace Abstract: In high-stakes scenarios, such as medical imaging applications, it is critical to equip the predictions of a regression model with reliable confidence intervals.
arXiv:2602. 14913v2 Announce Type: replace Abstract: Conformal prediction (CP) offers distribution-free marginal coverage guarantees under an exchangeability assumption, but these guarantees can fail if the data distribution shifts.
arXiv:2604. 11305v3 Announce Type: replace Abstract: Conformal selection (CS) uses calibration data to identify test inputs whose unobserved outcomes are likely to satisfy a pre-specified minimal quality requirement, while controlling the false discovery rate (FDR).
arXiv:2501.18060v2 Announce Type: replace-cross Abstract: Conformal inference provides a rigorous statistical framework for uncertainty quantification in machine learning, enabling well-calibrated pr...
arXiv:2609.10333v1 Announce Type: new Abstract: Uncertainty estimation for medical vision--language models (VLMs) using conformal prediction has gained increasing attention due to its distribution-fr...
arXiv:2609. 27976v1 Announce Type: cross Abstract: Conformal Bayes combines Bayesian posterior predictive scores with conformal calibration, but under continuous label shift both the score and calibration weight depend on the unknown response-marginal density ratio.
arXiv:2606. 11865v1 Announce Type: cross Abstract: Conformal Bayes combines Bayesian posterior predictives with conformal calibration to produce prediction sets that are both statistically valid and geometrically efficient.