Conformal Prediction (CP) has emerged as a powerful statistical framework for high-stakes classification applications. Instead of predicting a single class, CP generates a prediction set, guaranteed to include the true label with a pre-specified probability. The performance of different CP methods is typically assessed by their average prediction set size. In setups where the classes can be partitioned into semantic groups, e.g., diseases that require similar treatment, users can benefit from prediction sets that are not only small on average, but also contain a small number of semantically different groups. This paper begins by addressing this problem and ultimately offers a widely applicable tool for boosting any CP method on any dataset. First, given a class partition, we propose augmenting the CP score function with a term that penalizes predictions with out-of-group errors. We theoretically analyze this strategy and prove its advantages for group-related metrics. Surprisingly, we show mathematically that, for common class partitions, it can also reduce the average set size of any CP score function. Our analysis reveals the class similarity factors behind this improvement and motivates us to propose a model-specific variant, which does not require any human semantic partition and can further reduce the prediction set size. Finally, we present an extensive empirical study, encompassing prominent CP methods, multiple models, and several datasets, which demonstrates that our class-similarity-based approach consistently enhances CP methods.

Continual Learning (CL) is essential for enabling self-evolving large language models (LLMs) to adapt and remain effective amid rapid knowledge growth. Yet, despite its importance, little attention has been given to establishing statistical reliability guarantees for LLMs under CL, particularly in the setting of continual domain pretraining (CDP). Conformal Prediction (CP) has shown promise in offering correctness guarantees for LLMs, but it faces major challenges in CDP: testing data often stems from unknown or shifting domain distributions, under which CP may no longer provide valid guarantees. Moreover, when high coverage is required, CP can yield excessively large prediction sets for unanswerable queries, reducing informativeness. To address these challenges, we introduce an adaptive rejection and non-exchangeable CP framework. Our method first estimates the distribution of questions across domains in the test set using transformer-based clustering, then reweights or resamples the calibration data accordingly. Building on this, adaptive rejection CP allows the LLM to selectively abstain from answering when its confidence or competence shifts significantly. Extensive experiments demonstrate that our framework enhances both the effectiveness and reliability of CP under CDP scenarios. Our code is available at: https://anonymous.4open.science/r/CPCL-8C12/

In high-stakes scenarios, such as medical imaging applications, it is critical to equip the predictions of a regression model with reliable confidence intervals. Recently, Conformal Prediction (CP) has emerged as a powerful statistical framework that, based on a labeled calibration set, generates intervals that include the true labels with a pre-specified probability. In this paper, we address the problem of applying CP for regression models when the calibration set contains noisy labels. We begin by establishing a mathematically grounded procedure for estimating the noise-free CP threshold. Then, we turn it into a practical algorithm that overcomes the challenges arising from the continuous nature of the regression problem. We evaluate the proposed method on two medical imaging regression datasets with Gaussian label noise. Our method significantly outperforms the existing alternative, achieving performance close to the clean-label setting.

Accurate drug-target interaction (DTI) prediction with machine learning models is essential for drug discovery. Such models should also provide a credible representation of their uncertainty, but applying classical marginal conformal prediction (CP) in DTI prediction often overlooks variability across drug and protein subgroups. In this work, we analyze three cluster-conditioned CP methods for DTI prediction, and compare them with marginal and group-conditioned CP. Clusterings are obtained via nonconformity scores, feature similarity, and nearest neighbors, respectively. Experiments on the KIBA dataset using four data-splitting strategies show that nonconformity-based clustering yields the tightest intervals and most reliable subgroup coverage, especially in random and fully unseen drug-protein splits. Group-conditioned CP works well when one entity is familiar, but residual-driven clustering provides robust uncertainty estimates even in sparse or novel scenarios. These results highlight the potential of cluster-based CP for improving DTI prediction under uncertainty.

We study the question of volume optimality in split conformal regression, a topic still poorly understood in comparison to coverage control. Using the fact that the calibration step can be seen as an empirical volume minimization problem, we first derive a finite-sample upper-bound on the excess volume loss of the interval returned by the classical split method. This important quantity measures the difference in length between the interval obtained with the split method and the shortest oracle prediction interval. Then, we introduce EffOrt, a methodology that modifies the learning step so that the base prediction function is selected in order to minimize the length of the returned intervals. In particular, our theoretical analysis of the excess volume loss of the prediction sets produced by EffOrt reveals the links between the learning and calibration steps, and notably the impact of the choice of the function class of the base predictor. We also introduce Ad-EffOrt, an extension of the previous method, which produces intervals whose size adapts to the value of the covariate. Finally, we evaluate the empirical performance and the robustness of our methodologies.

Conformal Prediction (CP) is a principled framework for quantifying uncertainty in blackbox learning models, by constructing prediction sets with finite-sample coverage guarantees. Traditional approaches rely on scalar nonconformity scores, which fail to fully exploit the geometric structure of multivariate outputs, such as in multi-output regression or multiclass classification. Recent methods addressing this limitation impose predefined convex shapes for the prediction sets, potentially misaligning with the intrinsic data geometry. We introduce a novel CP procedure handling multivariate score functions through the lens of optimal transport. Specifically, we leverage Monge-Kantorovich vector ranks and quantiles to construct prediction region with flexible, potentially non-convex shapes, better suited to the complex uncertainty patterns encountered in multivariate learning tasks. We prove that our approach ensures finite-sample, distribution-free coverage properties, similar to typical CP methods. We then adapt our method for multi-output regression and multiclass classification, and also propose simple adjustments to generate adaptive prediction regions with asymptotic conditional coverage guarantees. Finally, we evaluate our method on practical regression and classification problems, illustrating its advantages in terms of (conditional) coverage and efficiency.

We introduce a neural network conformal prediction method for time series that enhances adaptivity in non-stationary environments. Our approach acts as a neural controller designed to achieve desired target coverage, leveraging auxiliary multi-view data with neural network encoders in an end-to-end manner to further enhance adaptivity. Additionally, our model is designed to enhance the consistency of prediction intervals in different quantiles by integrating monotonicity constraints and leverages data from related tasks to boost few-shot learning performance. Using real-world datasets from epidemics, electric demand, weather, and others, we empirically demonstrate significant improvements in coverage and probabilistic accuracy, and find that our method is the only one that combines good calibration with consistency in prediction intervals.

The recent rapid development of well-designed and powerful machine learning (ML) models has significantly transformed our lives. However, the success of these models is often evaluated based on the accuracy of their predictions, which, while important, is not sufficient in many real-world scenarios. In high-stakes applications, it is equally critical to assess the uncertainty of model outputs. Uncertainty quantification (UQ) has long been a central problem in fields like statistics and ML. Several well-established methods, such as Bayesian inference and resampling techniques, have been widely adopted to address UQ. However, Bayesian posterior intervals are only valid if the parametric assumptions of the model are correctly specified, which may not always be the case in practical applications.