Conformal prediction (CP) is a general framework to quantify the predictive uncertainty of machine learning models that uses a set prediction to include the true label with a valid probability. To align the uncertainty measured by CP, confor-mal training methods minimize the size of the prediction sets. A typical way is to use a surrogate indicator function, usually Sigmoid or Gaussian error function. However, these surrogate functions do not have a uniform error bound to the indicator function, leading to uncontrollable learning bounds. In this paper, we propose a simple cost-sensitive conformal training algorithm that does not rely on the indicator approximation mechanism. Specifically, we theoretically show that minimizing the expected size of prediction sets is upper bounded by the expected rank of true labels. To this end, we develop a rank weighting strategy that assigns the weight using the rank of true label on each data sample. Our analysis provably demonstrates the tightness between the proposed weighted objective and the expected size of conformal prediction sets. Extensive experiments verify the validity of our theoretical insights, and superior empirical performance over other con-formal training in terms of predictive efficiency with 21.38% reduction for average prediction set size.

Conformal prediction (CP) is a promising uncertainty quantification framework which works as a wrapper around a black-box classifier to construct prediction sets (i.e., subset of candidate classes) with provable guarantees. However, standard calibration methods for CP tend to produce large prediction sets which makes them less useful in practice. This paper considers the problem of integrating conformal principles into the training process of deep classifiers to directly minimize the size of prediction sets. We formulate conformal training as a bilevel optimization problem and propose the {\em Direct Prediction Set Minimization (DPSM)} algorithm to solve it. The key insight behind DPSM is to minimize a measure of the prediction set size (upper level) that is conditioned on the learned quantile of conformity scores (lower level). We analyze that DPSM has a learning bound of $O(1/\sqrt{n})$ (with $n$ training samples), while prior conformal training methods based on stochastic approximation for the quantile has a bound of $Ω(1/s)$ (with batch size $s$ and typically $s \ll \sqrt{n}$). Experiments on various benchmark datasets and deep models show that DPSM significantly outperforms the best prior conformal training baseline with $20.46\%\downarrow$ in the prediction set size and validates our theory.

Conformal prediction is a popular framework of uncertainty quantification that constructs prediction sets with coverage guarantees. To uphold the exchangeability assumption, many conformal prediction methods necessitate an additional holdout set for parameter tuning. Yet, the impact of violating this principle on coverage remains underexplored, making it ambiguous in practical applications. In this work, we empirically find that the tuning bias - the coverage gap introduced by leveraging the same dataset for tuning and calibration, is negligible for simple parameter tuning in many conformal prediction methods. In particular, we observe the scaling law of the tuning bias: this bias increases with parameter space complexity and decreases with calibration set size. Formally, we establish a theoretical framework to quantify the tuning bias and provide rigorous proof for the scaling law of the tuning bias by deriving its upper bound. In the end, we discuss how to reduce the tuning bias, guided by the theories we developed.

Conformal prediction, as an emerging uncertainty quantification technique, typically functions as post-hoc processing for the outputs of trained classifiers. To optimize the classifier for maximum predictive efficiency, Conformal Training rectifies the training objective with a regularization that minimizes the average prediction set size at a specific error rate. However, the regularization term inevitably deteriorates the classification accuracy and leads to suboptimal efficiency of conformal predictors. To address this issue, we introduce \textbf{Conformal Adapter} (C-Adapter), an adapter-based tuning method to enhance the efficiency of conformal predictors without sacrificing accuracy. In particular, we implement the adapter as a class of intra order-preserving functions and tune it with our proposed loss that maximizes the discriminability of non-conformity scores between correctly and randomly matched data-label pairs. Using C-Adapter, the model tends to produce extremely high non-conformity scores for incorrect labels, thereby enhancing the efficiency of prediction sets across different coverage rates. Extensive experiments demonstrate that C-Adapter can effectively adapt various classifiers for efficient prediction sets, as well as enhance the conformal training method.

Modern deep learning based classifiers show very high accuracy on test data but this does not provide sufficient guarantees for safe deployment, especially in high-stake AI applications such as medical diagnosis. Usually, predictions are obtained without a reliable uncertainty estimate or a formal guarantee. Conformal prediction (CP) addresses these issues by using the classifier's probability estimates to predict confidence sets containing the true class with a user-specified probability. However, using CP as a separate processing step after training prevents the underlying model from adapting to the prediction of confidence sets. Thus, this paper explores strategies to differentiate through CP during training with the goal of training model with the conformal wrapper end-to-end. In our approach, conformal training (ConfTr), we specifically "simulate" conformalization on mini-batches during training. We show that CT outperforms state-of-the-art CP methods for classification by reducing the average confidence set size (inefficiency). Moreover, it allows to "shape" the confidence sets predicted at test time, which is difficult for standard CP. On experiments with several datasets, we show ConfTr can influence how inefficiency is distributed across classes, or guide the composition of confidence sets in terms of the included classes, while retaining the guarantees offered by CP.