Recently, Large Language Models (LLMs) have been increasingly used to support various decision-making tasks, assisting humans in making informed decisions. However, when LLMs confidently provide incorrect information, it can lead humans to make suboptimal decisions. To prevent LLMs from generating incorrect information on topics they are unsure of and to improve the accuracy of generated content, prior works have proposed Retrieval Augmented Generation (RAG), where external documents are referenced to generate responses. However, previous RAG methods focus only on retrieving documents most relevant to the input query, without specifically aiming to ensure that the human user's decisions are well-calibrated. To address this limitation, we propose a novel retrieval method called Calibrated Retrieval-Augmented Generation (CalibRAG), which ensures that decisions informed by RAG are well-calibrated. Then we empirically validate that CalibRAG improves calibration performance as well as accuracy, compared to other baselines across various datasets.

Estimating the uncertainty of responses from Large Language Models (LLMs) remains a critical challenge. While recent Bayesian methods have demonstrated effectiveness in quantifying uncertainty through low-rank weight updates, they typically require complex fine-tuning or post-training procedures. In this paper, we propose Training-Free Bayesianization (TFB), a simple yet theoretically grounded framework that efficiently transforms trained low-rank adapters into Bayesian ones without additional training. TFBsystematically searches for the maximally acceptable level of variance in the weight posterior, constrained within a family of low-rank isotropic Gaussian distributions. Our theoretical analysis shows that under mild conditions, this search process is equivalent to KL-regularized variational optimization, a generalized form of variational inference. Through comprehensive experiments, we show that TFB achieves superior uncertainty estimation and generalization compared to existing methods while eliminating the need for complex Bayesianization training procedures.

We propose the Distance-informed Neural Process (DNP), a novel variant of Neural Processes that improves uncertainty estimation by combining global and distanceaware local latent structures. Standard Neural Processes (NPs) often rely on a global latent variable and struggle with uncertainty calibration and capturing local data dependencies. DNP addresses these limitations by introducing a global latent variable to model task-level variations and a local latent variable to capture input similarity within a distance-preserving latent space. This is achieved through bi-Lipschitz regularization, which bounds distortions in input relationships and encourages the preservation of relative distances in the latent space. This modeling approach allows DNP to produce better-calibrated uncertainty estimates and more effectively distinguish in-from out-of-distribution data. Empirical results demonstrate that DNP achieves strong predictive performance and improved uncertainty calibration across regression and classification tasks.

Calibration measures whether a model's predicted confidence aligns with its empirical accuracy, and is central to the reliable deployment of large language models (LLMs) in high-stakes domains such as medicine and law. While much recent work focuses on improving LLM calibration, the equally important question of how to evaluate it in realistic settings remains underdeveloped. Open-ended question answering (QA), the most common deployment setting for modern LLMs, is where existing evaluation methods fall short: logit-based metrics need restricted output formats and internal probabilities; verbalized confidence is self-reported and often overconfident; and sampling-based methods rely on task-specific extraction rules without a clear finite-sample target. We introduce Sem-ECE (Semantic-Sampling Expected Calibration Error), a calibration evaluation framework for open-ended QA that samples answers from the model, groups them into semantic classes, and uses the resulting frequencies as confidence. We study two estimators within this framework: Sem$_1$-ECE, the same-sample self-consistency score, and Sem$_2$-ECE, a held-out variant that separates answer selection from confidence evaluation. We prove both are asymptotically unbiased, and further show that they agree on easy questions but diverge on hard ones with Sem$_2$ achieving strictly smaller calibration error, so their gap also serves as a diagnostic for question difficulty. Experiments on three open-ended QA benchmarks across five leading commercial LLMs match our theoretical predictions and show that Sem-ECE outperforms verbalized confidence and existing sampling-based methods, while complementing logit-based evaluation when internal probabilities are unavailable.

Some of the most successful knowledge graph embedding (KGE) models for link prediction - CP, RESCAL, TUCKER, COMPLEX - can be interpreted as energy-based models. Under this perspective they are not amenable for exact maximum-likelihood estimation (MLE), sampling and struggle to integrate logical constraints. This work re-interprets the score functions of these KGEs as circuits - constrained computational graphs allowing efficient marginalisation. Then, we design two recipes to obtain efficient generative circuit models by either restricting their activations to be non-negative or squaring their outputs. Our interpretation comes with little or no loss of performance for link prediction, while the circuits framework unlocks exact learning by MLE, efficient sampling of new triples, and guarantee that logical constraints are satisfied by design.

AAbout Equation (1) As we discussed in Section 3, label smoothing and focal loss are equivalent to the standard CE loss with an additional maximum-entropy regularizer (see in Equation (1) and (2) in the main text). The proof of Equation (2) can be found in the corresponding paper [4]. SVHN is an image dataset which consists of 32 32 colored images of 0 9 digits. CIFAR-10 and CIFAR-100 consist of 32 32 colored natural images arranged in 10 and 100 classes, respectively. For 20Newsgroups, we use the GloVe word embedding [7] for text representation before the 1D-CNN model and set the embedding dimension as 100.

Capturing accurate uncertainty quantification of the predictions from deep neural networks is important in many real-world decision-making applications. A reliable predictor is expected to be accurate when it is confident about its predictions and indicate high uncertainty when it is likely to be inaccurate. However, modern neural networks have been found to be poorly calibrated, primarily in the direction of overconfidence. In recent years, there is a surge of research on model calibration by leveraging implicit or explicit regularization techniques during training, which achieve well calibration performance by avoiding overconfident outputs. In our study, we empirically found that despite the predictions obtained from these regularized models are better calibrated, they suffer from not being as calibratable, namely, it is harder to further calibrate these predictions with post-hoc calibration methods like temperature scaling and histogram binning. We conduct a series of empirical studies showing that overconfidence may not hurt final calibration performance if post-hoc calibration is allowed, rather, the penalty of confident outputs will compress the room of potential improvement in post-hoc calibration phase. Our experimental findings point out a new direction to improve calibration of DNNs by considering main training and post-hoc calibration as a unified framework.

Figure 9: NLL (Left) and ECE (Right) on CIFAR-10 corruptions for models trained with ResNet-32 architecture.

Accurate classification requires not only high predictive accuracy but also well-calibrated confidence estimates. Yet, modern deep neural networks (DNNs) are often overconfident, primarily due to overfitting on the negative log-likelihood (NLL). While focal loss variants alleviate this issue, they typically reduce accuracy, revealing a persistent trade-off between calibration and predictive performance. Motivated by the complementary strengths of generative and discriminative classifiers, we propose Generative Cross-Entropy (GCE), which maximizes $p(x|y)$ and is equivalent to cross-entropy augmented with a class-level confidence regularizer. Under mild conditions, GCE is strictly proper. Across CIFAR-10/100, Tiny-ImageNet, and a medical imaging benchmark, GCE improves both accuracy and calibration over cross-entropy, especially in the long-tailed scenario. Combined with adaptive piecewise temperature scaling (ATS), GCE attains calibration competitive with focal-loss variants without sacrificing accuracy.