When Do Supervised UQ Ensembles Improve LLM Hallucination Detection? A Robustness Study

Uncertainty quantification (UQ) methods are widely used for hallucination detection in large language models (LLMs) in closed-book settings where ground-truth evidence is unavailable at inference time. Prior work has proposed combining UQ signals via learned ensembles, but empirical investigations into the robustness of these ensembles are limited. We study a supervised ensembling framework that trains a classifier over heterogeneous UQ-based scorer outputs on a small, domain-specific dataset of labeled LLM responses, then applies it to out-of-sample hallucination classification without retrieval, tools, or reference documents. Across four LLMs, nine datasets, and three generation regimes (short-form QA, long-form generation, and code generation), we provide a systematic robustness analysis along three axes: sample efficiency, in-domain dataset transfer, and generation regime dependence. We find that supervised ensembles outperform the best individual scorer in 30 of 32 settings, with gains realized from as few as 100 labeled instances. Ensembles retain most of their advantage in cases of in-domain transfer under distribution shift, outperforming the best non-ensemble scorer in 23 of 28 transfer settings. Sampling-based black-box ensembles are nearly as effective as full ensembles, while single-generation white-box ensembles offer limited benefit.

Credal Large Language Models for Semantic Commitment under Uncertainty

Large language models (LLMs) often produce fluent but incorrect answers with unwarranted confidence. A central limitation is that standard LLMs represent uncertainty through a single predictive distribution, conflating epistemic ignorance with genuine ambiguity. We introduce Credal Large Language Models (CLLMs): an ensemble of LoRA adapters induces a credal set whose lower and upper probabilities expose the spread of plausible predictive distributions rather than collapsing to a single softmax output. From this representation we derive two complementary commitment scores. Credal Token Commitment (CTC) is a token-space score that combines lower-bound support, credal width, and intersection entropy, computed without additional generation. Semantic Commitment Consistency (SCC) extends commitment to semantic space using sampled completions, with SCC-Gap measuring the mismatch between token-level and semantic-level support. We evaluate hallucination detection, calibration, selective prediction, and reasoning on Gemma-2-9B, Llama-3.1-8B, and Qwen2.5-7B across OpenBookQA, CoQA, TriviaQA, and ARC-Challenge. CLLM is the best method on QA accuracy at competitive expected calibration error, and CTC tracks the best hallucination AUROC within 1.5 pp on most settings without additional generation. On selective prediction at 80% coverage, CLLM with SCC reaches 99.0% accuracy on OpenBookQA, and on ARC-Challenge CLLM with Csem confidence achieves <= 0.6% ECE across the three backbones.

POOL: Propagated Uncertainty Over Lookalikes

Black-box large language models need confidence scores that can separate likely-correct from likely-incorrect outputs, enabling systems to prioritize human review, route uncertain cases to stronger models, or choose abstention thresholds on development data. Yet existing confidence estimators face a cost-quality trade-off: verbal confidence is cheap but is often overconfident, while sampling-based uncertainty is more informative but scales linearly with the number of samples per query. We propose \textsc{POOL} (\emph{Propagated Uncertainty Over Lookalikes}),a cost-efficient framework that addresses this trade-off taking inspiration from group-testing.\textsc{POOL} clusters query stems with overlaps, evaluates a base estimator on representative medoids, softly propagates confidence scores to nearby queries, and selectively evaluates high-disagreement cases. We instantiate this framework with \textsc{Hy@}$p$, a hybrid estimator that combines verbal confidence with spectral answer diversity computed from the negative von Neumann entropy of sampled answer embeddings.Across six domains from three datasets and five black-box LLMs, \textsc{Hy@}5 achieves higher average AUROC than verbal confidence and \textsc{Vn@}10 sampling while using half as many samples as \textsc{Vn@}10. \textsc{POOL}-\textsc{Hy@}5 retains 93.5--97.9\% of its AUROC while saving 19.3--39.3\% of generations. On paraphrase-dense workloads, generation savings rise to 73-76\%, showing that semantic redundancy can be leveraged to lower confidence-estimation costs.

Kernel Token Contradiction: a Fast and Principled Approach for LLM Claim Uncertainty Quantification

Claim-level Uncertainty Quantification (UQ) aims to mitigate the lack of reliability of Large Language Models (LLMs) by evaluating the factuality of each claim in their outputs. We introduce Kernel Token Contradiction (KTC), a lightweight approach to compute claim-level UQ under realistic white-box conditions. KTC represents the candidate tokens involved in LLM generation as a positive semi-definite kernel that integrates both the LLM's conditional distribution and a token contradiction score. We then use the Von Neumann entropy to quantify the uncertainty of this kernel. To estimate token contradiction, we develop a new approach based on frequency statistics from the Wikipedia corpus. Although CPU-only, our approach achieves over an 8.2x speedup compared to state-of-the-art GPU-accelerated methods based on cross-encoders, and over a 65x speedup compared to CPU-only methods with comparable performance. Our evaluation spans two benchmarks across four European languages and 16 different models. KTC not only matches the average performance of existing methods but also outperforms them in high-precision regimes. This combination of computational efficiency and accuracy makes real-time monitoring of LLM outputs practical in production.

Improved Confidence Estimates for Black-Box Large Language Models

Uncertainty quantification (UQ) is essential for the safe deployment of large language models (LLMs). Existing methods, from verbalized confidence to ones requiring multiple generations, are often zero-shot and produce scores quantifying uncertainty without the need for labelled data. Nonetheless, in practice one must always evaluate their performance on a dataset of interest before deployment. In this work we show that, by leveraging this dataset, we consistently outperform these existing scores. Specifically, we build simple classifiers that predict LLM response correctness by using these scores and the correctness of similar queries as features. Our method produces minimal computational overhead, making it a cheap and straightforward enhancement for UQ in LLMs for real-world applications.

Asymptotic Risk Calibration for Selective Question Answering

Large language models (LLMs) may generate fluent but incorrect answers, making uncertainty quantification important for reliable question answering. However, heuristic uncertainty scores cannot perfectly distinguish correct predictions from incorrect ones, and directly applying a fixed uncertainty threshold provides no statistical control over the error rate among accepted answers. To address this limitation, we propose A-CRC-QA, a post-hoc calibration framework for uncertainty-aware selective question answering. The proposed method reformulates selection-conditioned error control as a linear expectation constraint and applies a monotonized empirical-risk calibration procedure inspired by conformal risk control. Since the resulting instance-wise loss is generally non-monotone with respect to the acceptance threshold, our framework targets asymptotic rather than finite-sample risk control. A-CRC-QA is model-agnostic, requires no additional training, and can be combined with different uncertainty estimators. Experiments on CoQA and MedMCQA demonstrate its applicability to both open-ended and closed-ended question answering, achieving a favorable trade-off between accepted-answer reliability and answer retention compared with uncalibrated and confidence-bound-based baselines.

DUD: Decoupled Update Dynamics for Reliable Uncertainty Quantification in Large Language Models

Accurate Uncertainty Quantification (UQ) is critical for reliable deployment of Large Language Models (LLMs), yet traditional probability-based metrics often fail to capture the model's true epistemic state. While recent mechanistic approaches leverage hidden state dynamics, they typically aggregate residual stream updates, conflating the distinct roles of parametric memory (Feed-Forward Networks) and contextual processing (Attention). We argue that this aggregation obscures fine-grained mechanistic conflicts, such as memory-context misalignment, that are fundamental indicators of uncertainty. To address this, we introduce \textbf{D}ecoupled \textbf{U}pdate \textbf{D}ynamics \textbf{(DUD)}, a framework that explicitly decouples FFN and Attention contributions via noise-induced causal interventions. By quantifying the independent restoration capabilities of each module, we construct a dual-stream dynamic profile that captures the model's internal fragility. Extensive experiments demonstrate that DUD significantly outperforms state-of-the-art baselines in both uncertainty estimation and calibration, while exhibiting superior cross-dataset generalization, validating decoupled dynamics as a robust proxy for model faithfulness.

TrAC: Trace-Conditioned Answer Consistency for Efficient Uncertainty Quantification in LLMs

Large language models (LLMs) can generate fluent reasoning traces that nevertheless lead to incorrect answers, making response-level uncertainty estimation important for abstention, human review, and adaptive compute allocation. Existing approaches generally fall into three categories: passive single-trace methods use token-level confidence signals, sampling-based methods compare multiple complete traces at higher generation cost, and active prefix-based methods probe partial traces to study answer stabilization or preference transitions. However, none actively re-elicits an answer from a completed reasoning trace to measure its consistency with and support for the original answer. To address this gap, we introduce Trace-Conditioned Answer Consistency (TrAC), a correctness-supervised uncertainty quantification framework that combines active and passive signals anchored to one completed reasoning trace. Its active component, Prefix-Conditioned Elicitation (PCE), re-elicits a short answer conditioned on the completed trace and represents both its consistency with the original answer and its token-level probabilistic support. Its passive component, Trace Uncertainty Profile (TUP), summarizes how token-level uncertainty evolves throughout the original generation without additional decoding. A lightweight head then integrates the two representations into a response-correctness score. Across five mathematical reasoning benchmarks and three LLM families, TrAC improves macro AUROC by 1.8% and reduces AURC by 3.4% relative to eight-sample self-consistency, while using one complete reasoning trace and a short cached answer probe. When eight samples are already available, augmenting sample consensus with re-elicitation further improves macro AUROC by 4.3% and reduces AURC by 8.3%, without additional full-trace generation.

Beyond Semantic Equivalence: Logical Graphs for LLM Uncertainty Quantification

Large Language Models often produce confidently stated yet unreliable outputs, posing critical challenges for deployment in safety-sensitive applications. Existing uncertainty metrics such as semantic entropy capture agreement at the level of semantic equivalence, but largely ignore the logical relationships between distinct answers. As a result, they tend to overestimate uncertainty and falsely flag hallucinations in settings where generated responses are diverse in form yet logically compatible (e.g., differing only in granularity or specificity). We propose Logical Graph Uncertainty (LGU), a framework that explicitly models implication and incompatibility among answers. LGU aggregates probability mass along entailment chains onto the most specific hypotheses the answers support, measures the entropy of the resulting distribution, and penalizes mutual incompatibility among those hypotheses. Across multiple question-answering benchmarks and model families, LGU ranks first on average among existing uncertainty measures, with its largest gains---up to +7.1\% AUROC and +3.5\% AUARC over semantic entropy---on questions whose sampled answers are logically structured.

EvidentialRAG: Quantifying and Mitigating Information Conflict in Multi-Source Retrieval-Augmented Generation via Evidential Deep Learning

Retrieval-augmented generation grounds large language models in external evidence, but most pipelines still treat retrieved passages as deterministic and mutually consistent context. In open information environments, retrieved sources may disagree because of temporal drift, source error, ambiguity, or genuine uncertainty. This paper introduces ERAG, an uncertainty-aware RAG framework that converts retrieved chunks into probabilistic evidence before generation. A lightweight evaluator extracts candidate claims and maps chunk-level support to Dirichlet evidence. A conflict-preserving Dempster-Shafer fusion rule then transfers unresolved disagreement into epistemic uncertainty rather than normalizing it away. The generator is routed to direct answering, conflict-aware answering, or abstention according to the fused uncertainty score. Experiments on CRAG, ConflictQA, and MuSiQue show that ERAG remains competitive with the strongest matched baseline on standard question answering while improving behavior under conflict. On the CRAG ambiguous subset, hallucination decreases from 45.3% for Corrective RAG to a human-calibrated estimate of 34.8%, conflict resolution increases from 35.2% to 51.2%, and expected calibration error improves to 0.122. These results suggest that evidential modeling is a practical mechanism for trustworthy information processing in foundation-model-based retrieval systems.

Can We Trust LLM's Logic? Quantifying Uncertainty, Coherence, and Robustness via a Graph-Based Framework

Large-Language Models (LLMs) can be prone to flawed and unfaithful reasoning that decoding strategies like Self-Consistency (SC) fail to detect as they evaluate only final-answer agreement while ignoring the logical validity of intermediate steps. This raises three fundamental questions: How can we reliably quantify uncertainty in LLM reasoning? Can semantic, structural, and causal awareness select more faithful reasoning compared to naïve majority voting? and How robust is reasoning topology under adversarial conditions? To address these questions, we introduce GRAPHEVAL, a graph-based reasoning framework that re-frames uncertainty quantification (UQ) as a holistic reasoning fidelity problem. We propose a novel UQ metric, Graph Reasoning Coherence Score (GRCS), that quantifies semantic-structural consensus of the reasoning space and captures pathological mode collapse and confident hallucinations. We find that GRCS is the only metric that is consistently negatively correlated with reasoning faithfulness across both more capable and smaller models. Additionally, we introduce Graph Self-Consistency (GSC), a medoid-based decoding strategy that trades nominal accuracy for reasoning fidelity, exposing the degree to which SC is inflated by unfaithful lucky guesses in smaller models, while preserving or improving accuracy in more capable ones. Finally, through adversarial medoid ablation, we demonstrate that the GSC-selected path acts as a "load-bearing path" and forcing models away from it degrades reasoning faithfulness and, in targeted cases, causes drops in accuracy.

Uncertainty-Aware Abstention in Large Language Models with Provable Alignment Guarantees

Large language models (LLMs) are increasingly deployed in question answering (QA) systems, yet they may generate hallucinated or misaligned responses without reliable confidence estimates. Uncertainty quantification (UQ) offers a natural basis for selective answering, where a system answers only when its prediction is deemed reliable and abstains otherwise. However, existing uncertainty scores for LLMs are often heuristic: a threshold chosen on such scores does not, by itself, provide statistical guarantees on the error rate among accepted answers. We propose CIC, a confidence-interval-based calibration framework that converts arbitrary uncertainty scores into risk-controlled selective answering rules. Given a held-out calibration set, CIC evaluates each generated response using an application-specific alignment criterion and associates it with an uncertainty score and a binary error label. For each candidate uncertainty threshold, CIC estimates the acceptance-conditioned error rate and constructs a high-probability upper confidence bound using either Hoeffding-style or Clopper-Pearson confidence intervals. It then selects the largest threshold whose upper bound is below a user-specified risk level $α$, thereby maximizing the answering rate subject to a finite-sample reliability constraint. Under exchangeability, CIC guarantees with probability at least $1-δ$ that the selected threshold, if non-null, controls the error rate among accepted answers at level $α$. We evaluate CIC on both closed-ended and open-ended QA benchmarks across seven LLMs and multiple uncertainty estimators. Experimental results show that CIC consistently achieves valid risk control while retaining strong answering efficiency, providing a practical and statistically grounded mechanism for deploying LLMs in reliability-sensitive QA workflows.

Uncertainty-Aware Generation and Decision-Making Under Ambiguity

With rapidly improving capabilities, Large Language Models (LLMs) are increasingly used in many complex real-world tasks. Beyond requiring in-depth knowledge and reasoning skills, many of these tasks exhibit a high degree of subjectivity and require that the outputs of the model can be trusted. While a lot of progress has been made to train better models, decision-making algorithms have received less attention. In this work, we present and evaluate various uncertainty-aware decision-making algorithms based on Bayesian decision theory and risk-averse decision making on the tasks of tutoring and automatic peer reviewing. Concretely, we take uncertainty over tutoring strategies and review scores into account when generating a tutor response or review and use conformal prediction to provide guarantees over strategy and score. We find empirically that these algorithms can improve the utility of the generations but need to be carefully implemented when ambiguity is high. For example, risk-averse rules can degrade performance by optimizing for generic outputs, while Bayesian methods tend to perform better. Our work uses techniques from decision theory to improve LLM-based decision-making and outlines open challenges for the community.

The Origins of Stochasticity: Comprehensive Investigations on Uncertainty Quantification for Large Language Models

Recent advancements in Large Language Models (LLMs) have enabled sophisticated reasoning and content generation, yet their inherent stochasticity poses significant challenges for ensuring predictive credibility. While traditional uncertainty taxonomy paradigms, such as the dichotomy of aleatoric and epistemic uncertainties, provide conceptual foundations, they often fail to capture the multi-component and multi-stage nature of LLM generation and struggle to evaluate the effectiveness of various Uncertainty Quantification (UQ) methods. In this paper, we propose a granular uncertainty taxonomy that systematically attributes LLM uncertainty into input-level, parameter-level, token-level, and decoding-process sources. Correspondingly, we categorize existing UQ methods into Bayesian, ensemble, consensus-based, and single-pass approaches. Furthermore, we introduce a comprehensive evaluation framework covering diverse generation settings and metrics. We empirically evaluate 21 typical UQ methods across three prominent LLM families, including Qwen3, Llama 3.2, and DeepSeek-V3, on benchmarks such as TriviaQA, GSM8K, and HumanEval. Our experimental results demonstrate that (i) the effectiveness of UQ methods is sensitive to task types and generation settings; (ii) consensus-based methods, typed Deg and EigV, consistently outperform other UQ approaches; and (iii) larger model scales correlate with lower uncertainty estimates, suggesting an empirical scaling law for LLM uncertainty. This work bridges the gap between theoretical origins and practical deployment, providing a versatile diagnostic tool for systematically quantifying uncertainty in LLM applications.

Inference-Time Conformal Reasoning with Valid Factuality Control for Large Language Models

Large language models (LLMs) increasingly perform multi-step reasoning, where intermediate claims form implicit directed acyclic graphs whose node correctness is structurally conditioned on their ancestors. This makes factuality uncertainty structural, rather than a trivial accumulation of node-wise errors, and necessitates inference-time uncertainty quantification over the reasoning structure. While conformal prediction (CP) offers flexible user-specified factuality control, existing work remains post-hoc and cannot intervene during generation. To fill the gap between CP's flexibility and its post-hoc limitation, we propose an \emph{Inference-Time Conformal Reasoning (ITCR)} framework that integrates CP directly into reasoning graph generation. ITCR learns a structure-level factuality uncertainty function that aggregates claim-level factuality signals over reasoning graphs without complex modeling assumptions. We then design the non-conformity score based on graph-level factuality uncertainty and calibrate the conformal threshold to decide when to stop generation. We theoretically show such generation is nested, yielding valid coverage guarantees for factuality control. Experiments over multiple datasets and coverage objectives demonstrate empirically valid coverage. In downstream reasoning tasks, inference-time calibrated graphs yield more accurate generation than post-hoc pruned graphs.

Integrating Local and Global Entropy for Uncertainty Quantification in LLMs

Large language models hallucinate confidently, making uncertainty quantification (UQ) essential for reliable deployment. Existing methods rely predominantly on token-level signals, leaving the geometric structure of intermediate hidden states underused. In this paper, we take the geometric complexity of hidden-state matrices as a measure of the global uncertainty of LLMs, while treating token-level uncertainty estimation as a local metric. We show that hidden-state geometric entropy (global uncertainty) and token-level entropy (local uncertainty) are statistically near-orthogonal, capturing distinct failure regimes for reliability prediction. In particular, global geometry recovers the confident-but-wrong failure mode that local signals systematically miss. Building on this, we propose Global-Local Uncertainty (GLU), an unsupervised, single-pass score that fuses the two signals via a multiplicative gate. Across three model families and six benchmarks, GLU matches or outperforms all unsupervised baselines while requiring only a single forward pass and remaining length-normalized and architecture-agnostic.

Clustered Self-Assessment: A Simple yet Effective Method for Uncertainty Quantification in Large Language Models

Large language models (LLMs) demonstrate remarkable performance across diverse tasks, but they often generate responses that appear plausible while being factually incorrect. This problem is compounded by the lack of explicit uncertainty estimates, which makes it difficult for users to judge the reliability of model outputs. Existing uncertainty quantification methods typically rely on indirect signals, such as entropy across sampled generations. These signals can be difficult to interpret and do not fully leverage the model's ability to assess its own uncertainty. We propose a simple yet effective self-assessment method for uncertainty quantification in LLMs. Our approach groups sampled generations into semantically distinct clusters, converts them into answer options in a structured multiple-choice question, and uses the probability assigned by the LLM to each option as a confidence estimate. Experiments across multiple models and datasets show that our method consistently outperforms baseline approaches. Notably, it achieves competitive performance with as few as two additional samples, demonstrating both its effectiveness and efficiency.

The Role of Ambiguity in Error Prediction via Uncertainty Quantification

The task of Error Prediction, namely predicting whether a model output is correct, is commonly tackled with Uncertainty Quantification (UQ). However, while uncertainty metrics capture when models lack knowledge or capacity to make a prediction, they also reflect aleatoric uncertainty, which is inherent in the model input and context. This paper presents a method for improving error prediction for Large Language Models (LLMs), by disentangling input ambiguity from UQ signal. We conduct experiments on the task of Question Answering (QA) with six UQ metrics and show that UQ metrics are more predictive of errors on unambiguous instances than on questions with multiple plausible answers. We use Gated Experts and Selective Prediction to incorporate gold and predicted ambiguity labels into the error prediction pipeline. We find that ambiguity information improves error prediction scores across model families, training and evaluation paradigms, datasets (including allegedly unambiguous ones), and sources of aleatoric uncertainty, yielding improvements of over 10 points of PRR for individual UQ metrics on standard datasets.

Gradients with Respect to Semantics Preserving Embeddings Tell the Uncertainty of Large Language Models

Uncertainty quantification (UQ) is an important technique for ensuring the trustworthiness of LLMs, given their tendency to hallucinate. Existing state-of-the-art UQ approaches for free-form generation rely heavily on sampling, which incurs high computational cost and variance. In this work, we propose the first gradient-based UQ method for free-form generation, SemGrad, which is sampling-free and computationally efficient. Unlike prior gradient-based methods developed for classification tasks that operates in parameter space, we propose to consider gradients in semantic space. Our method builds on the key intuition that a confident LLM should maintain stable output distributions under semantically equivalent input perturbations. We interpret the stability as the gradients in semantic space and introduce a Semantic Preservation Score (SPS) to identify embeddings that best capture semantics, with respect to which gradients are computed. We further propose HybridGrad, which combines the strengths of SemGrad and parameter gradients. Experiments demonstrate that both of our methods provide efficient and effective uncertainty estimates, achieving superior performance than state-of-the-art methods, particularly in settings with multiple valid responses.