Organizations: SIT, Indian Institute of Technology Delhi, New Delhi, India
Abstract
Although deep neural networks (DNNs) achieve high predictive accuracy, their confidence estimates are often unreliable, potentially compromising user trust in their decisions. This has motivated research on calibrated models, where calibration measures how well a model's predicted confidence aligns with the empirical probability of correctness. However, calibration metrics can often be improved through post-processing techniques that merely mimic training-time uncertainty without genuinely improving the model's understanding. For this reason, statisticians recommend that models be not only calibrated but also refined. Intuitively, a model is considered more refined if it assigns significantly different confidence scores to correct and incorrect predictions, a property also referred to as sharpness. We observe that many existing calibration methods improve calibration at the cost of reduced refinement. To address this limitation, we propose: (1) a novel loss function that explicitly promotes refinement and can be optimized through supervised contrastive learning; and (2) a unified training framework, RefCal, that jointly optimizes calibration, refinement, and accuracy to improve DNN reliability. On the CIFAR-100-LT dataset with 10 percent class imbalance, RefCal achieves (accuracy, refinement, ECE) of (58.81, 95.67, 0.08), substantially outperforming the widely used Correctness Ranking Loss, which achieves (46.27, 93.7, 0.22).
Modern neural networks can achieve high accuracy while remaining poorly calibrated, producing confidence estimates that do not match empirical correctness. Yet calibration is often treated as a post-hoc attribute. We take a different perspective: we study calibration as a training-time phenomenon on small vision tasks, and ask whether calibrated solutions can be obtained reliably by intervening on the training procedure. We identify a tight coupling between calibration, curvature, and margins during training of deep networks under multiple gradient-based methods. Empirically, Expected Calibration Error (ECE) closely tracks curvature-based sharpness throughout optimization. Mathematically, we show that both ECE and Gauss--Newton curvature are controlled, up to problem-specific constants, by the same margin-dependent exponential tail functional along the trajectory. Guided by this mechanism, we introduce a margin-aware training objective that explicitly targets robust-margin tails and local smoothness, yielding improved out-of-sample calibration across optimizers without sacrificing accuracy.
Deep neural networks have been increasingly used in safety-critical applications such as medical diagnosis and autonomous driving. However, many studies suggest that they are prone to being poorly calibrated and have a propensity for overconfidence, which may have disastrous consequences. In this paper, unlike standard training such as stochastic gradient descent, we show that the recently proposed sharpness-aware minimization (SAM) counteracts this tendency towards overconfidence. The theoretical analysis suggests that SAM allows us to learn models that are already well-calibrated by implicitly maximizing the entropy of the predictive distribution. Inspired by this finding, we further propose a variant of SAM, coined as CSAM, to ameliorate model calibration. Extensive experiments on various datasets, including ImageNet-1K, demonstrate the benefits of SAM in reducing calibration error. Meanwhile, CSAM performs even better than SAM and consistently achieves lower calibration error than other approaches
In high-stakes applications, reliable confidence estimates are as important as the predictions themselves. Confidence calibration ensures that predicted probabilities reflect the likelihood of correctness, making it essential for safe deployment of deep learning models. However, existing methods typically assume access to clean validation data, which is often unrealistic due to label noise and domain shifts. This thesis develops methods for improving calibration under these conditions. First, we address calibration under label noise. Standard methods can produce misleading confidence estimates when labels are unreliable. We propose a framework that uses an estimated noise model to reconstruct noise-free confidence estimates by modeling the relationship between noisy and clean label distributions. We extend this approach to Conformal Prediction (CP), which provides set-valued predictions with guaranteed coverage. Our noise-aware CP method estimates clean conformity scores despite label noise, enabling reliable uncertainty quantification. Next, we study calibration in unsupervised domain adaptation, where a model trained on a labeled source domain is adapted to an unlabeled target domain. Since labeled target data are unavailable, we estimate target-domain accuracy from source performance and domain discrepancies, enabling calibration without target labels. We also consider privacy-preserving settings in which user labels and model outputs must remain protected. We propose a locally differentially private conformal prediction framework that provides valid uncertainty quantification while maintaining privacy guarantees and balancing privacy, computational feasibility, and prediction reliability. Our results bridge calibration theory and practical deployment in safety-critical applications, contributing to reliable, privacy-preserving, and noise-resilient neural network predictions.