LLM Uncertainty Estimation
LLM: Large Language Model
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38 papers in the last four weeks, up 111% on the four weeks before. 0.4% of all new papers.
Latest papers 298
Post-training has become central to improving reasoning and alignment in large language models, where critic-free models enable scalable learning from model-generated outputs but lack principled mechanisms to distinguish informative from noisy signals. Recent approaches leverage response-level measures as uncertainty signals to regulate group-based optimization methods such as GRPO. Yet their empirical success remains unstable and unclear in how they influence optimization dynamics. In this paper, we provide, to our knowledge, the first principled formulation that interprets uncertainty signals as mechanisms for characterizing and regulating gradient variance and learning signal quality. Based on both empirical and theoretical analysis, we identify two critical gaps of current entropy-based estimators: The anisotropic gap and The calibration gap. Motivated by this analysis, we propose Geometric-aware Calibrated Policy Optimization (GCPO), a novel framework integrating geometry-aware measures to capture semantic disagreement with reward-based calibration to align uncertainty with learning signal strength. Experiments on multiple benchmarks show that our approach more faithfully tracks gradient variability and consistently improves post-training performance. Our results highlight the importance of designing uncertainty signals that are aligned with optimization dynamics, offering a principled perspective for robust post-training.
Probabilistic Attribution For Large Language Models
The generative nature of Large Language Models (LLMs) is reflected in the conditional probabilities they compute to sample each response token given the previous tokens. These probabilities encode the distributional structure that the model learns in training and exploits in inference. In this work, we use these probabilities to situate LLMs within the mathematical theory of stochastic processes. We use this framework to design a model-agnostic probabilistic token attribution measure, using Bayes rule to invert the next-token log-probabilities so as to capture the models internal representation of the distribution over token sequences. The representation is independent of the models computational structure. This representation yields the conditional probability of the response given the prompt, and of the response given the prompt with a token marginalized away. Our attribution score is the log of the ratio of these probabilities. We further compute the entropies of a single prompts token distributions, conditioned on the remaining context. The interplay between entropy and attribution score sheds light on LLM behavior. We evaluate 8 models across 7 prompts and investigate anomalies, token sensitivity, response stability, model stability, and training convergence, thereby improving interpretability and guiding users to focus on uncertain or unstable parts of the generation.
Reading Calibrated Uncertainty from Language Model Trajectories
The maximum softmax probability (MSP) represents a default approach when evaluating uncertainty quantification for language model generation with structured output. Although cheap, it is often miscalibrated. Methods that probe the model's internal activations feed raw hidden states into opaque classifiers, reading activations as static snapshots and leaving implicit the layer-wise trajectory by which a representation is formed. Yet, similar endpoints can arise from very different paths, and how evidence accumulates, reinforces, or reverses across depth might reveal uncertainty that final probabilities obscure. We extract eleven scale-invariant geometric features, tracing the cumulative path of per-layer MLP updates, and feed them to a sparse linear probe. The probe outperforms MSP under selective abstention, with gains scaling with baseline miscalibration up to 21 AURC points. Because every feature has a closed-form geometric meaning, the probe's coefficients trace how and where along depth errors take shape -- which layers commit prematurely, which contradict the running state, where trajectories drift away from their endpoint.
Retrieval-Augmented Linguistic Calibration
Linguistic cues such as "I believe" and "probably" offer an intuitive interface for communicating confidence, yet a generalisable, principled calibration framework for linguistic confidence expressions remains underexplored. In particular, co-occurring linguistic cues, contextual variation, and subjective audience interpretation pose unique challenges. We therefore model linguistic confidence as a distribution over plausible perceived probability values that a statement is correct, capturing interpretation variability that scalar representations discard. Within this distributional framework, we introduce faithfulness as a complementary evaluation dimension and present Faithfulness Divergence (FD), an information-theoretic metric quantifying the surprise induced in audience beliefs upon truth revelation. Building on these foundations, we present Retrieval-Augmented Linguistic Calibration (RALC), a lightweight post-hoc pipeline that propagates calibrated confidence signals back into natural language via retrieval-augmented rewriting. Across three QA benchmarks and five LLM families, RALC improves in-domain faithfulness and calibration up to 66% and 58%, respectively, outperforming black-box and grey-box calibration baselines.
Diagnosing Multi-step Reasoning Failures in Black-box LLMs via Stepwise Confidence Attribution
Large Language Models have achieved strong performance on reasoning tasks with objective answers by generating step-by-step solutions, but diagnosing where a multi-step reasoning trace might fail remains difficult. Confidence estimation offers a diagnostic signal, yet existing methods are restricted to final answers or require internal model access. In this paper, we introduce Stepwise Confidence Attribution (SCA), a framework for closed-source LLMs that assigns step-level confidence based only on generated reasoning traces. SCA applies the Information Bottleneck principle: steps aligning with consensus structures across correct solutions receive high confidence, while deviations are flagged as potentially erroneous. We propose two complementary methods: (1) NIBS, a non-parametric IB approach measuring consistency without graph structures, and (2) GIBS, a graph-based IB model that learns subgraphs through a differentiable mask to capture logical variability. Extensive experiments on mathematical reasoning and multi-hop question answering show that SCA reliably identifies low-confidence steps strongly correlated with reasoning errors. Moreover, using step-level confidence to guide self-correction improves the correction success rate by up to 13.5% over answer-level feedback.
Position: Uncertainty Quantification in LLMs is Just Unsupervised Clustering
Uncertainty Quantification (UQ) is widely regarded as the primary safeguard for deploying Large Language Models (LLMs) in high-stakes domains. However, we argue that the field suffers from a category error: mainstream UQ methods for LLMs are just unsupervised clustering algorithms. We demonstrate that most current approaches inherently quantify the internal consistency of the model's generations rather than their external correctness. Consequently, current methods are fundamentally blind to factual reality and fail to detect ``confident hallucinations,'' where models exhibit high confidence in stable but incorrect answers. Therefore, the current UQ methods may create a deceptive sense of safety when deploying the models with uncertainty. In detail, we identify three critical pathologies resulting from this dependence on internal state: a hyperparameter sensitivity crisis that renders deployment unsafe, an internal evaluation cycle that conflates stability with truth, and a fundamental lack of ground truth that forces reliance on unstable proxy metrics to evaluate uncertainty. To resolve this impasse, we advocate for a paradigm shift to UQ and outline a roadmap for the research community to adopt better evaluation metrics and settings, implement mechanism changes for native uncertainty, and anchor verification in objective truth, ensuring that model confidence serves as a reliable proxy for reality.
Descriptive versus Regulatory Uncertainty in Bounded Predictive Systems
Any system that models the world under finite representational capacity must compress; any compression entails a prior; and the prior is the system's bias. What has not been established is whether uncertainty participates in the dynamics governing future behavior, or merely describes the output distribution without consequence. We introduce a structural distinction between descriptive uncertainty, which does not recursively modulate the system's policy, and regulatory uncertainty, which directly enters the optimization landscape and drives persistent adaptive restructuring. We prove formally that current transformer architectures are confined to descriptive uncertainty at inference. We ground this in thermodynamics via Landauer's principle: for uncertainty to be regulatory, epistemic error must cost real energy; in a decoupled system, hallucinations and correct derivations dissipate identical energy. We test this empirically across three locally-deployed language models (3B, 8B, 70B parameters). Token-level Shannon entropy is statistically invariant across tasks spanning pattern retrieval, causal operator application, and out-of-distribution causal generalization in all three models (all pairwise p >= 0.568; within-model ranges 0.011-0.028 nats), while task accuracy varies substantially across the same conditions (0%-100%). Entropy and accuracy are orthogonal. The decoupling is scale-invariant: larger models achieve higher accuracy but identical entropy flatness. This structural incapacity is not resolvable by additional parameters or training data. Genuine epistemic grounding requires physical coupling between thermodynamic substrate state and information processing cost.
BELIEF: Structured Evidence Modeling and Uncertainty-Aware Fusion for Biomedical Question Answering
Biomedical question answering often requires decisions from retrieved literature whose relevance, quality, and support for candidate answers are uneven. Most retrieval-augmented large language model (LLM) methods feed this literature to the model as flat text, leaving evidence reliability and remaining uncertainty largely implicit. We propose BELIEF, a structured evidence modeling and uncertainty-aware fusion framework for closed-set biomedical question answering. Rather than treating retrieved documents as undifferentiated context, BELIEF converts them into evidence objects that record clinical attributes, source quality, question relevance, support strength, and the associated candidate hypothesis. These evidence objects provide a shared basis for two complementary reasoning paths. The symbolic path constructs reliability-weighted basic probability assignments based on Dempster--Shafer (D-S) theory over a finite answer space and performs uncertainty-aware symbolic evidence fusion to estimate belief and residual uncertainty. The neural path uses the same structured evidence for LLM-based semantic inference, while a reliability-aware arbitration module reconciles the symbolic and neural outputs according to belief strength, uncertainty, evidence reliability, and semantic consistency. Experiments on PubMedQA, MedQA, and MedMCQA with five general-purpose LLM backbones show that BELIEF obtains the best result in 25 of 30 backbone--dataset--metric settings. Comparisons with biomedical-domain models indicate that BELIEF is competitive on MedQA and MedMCQA, while specialized biomedical pretraining remains advantageous on PubMedQA. Ablation, complementarity, uncertainty-stratified, and cost analyses further show that BELIEF improves retrieved-evidence utilization by making evidence structure, path disagreement, and decision uncertainty explicit.
Confidence Geometry Reveals Trace-Level Correctness in Large Language Model Reasoning
Large language models (LLMs) generate not only reasoning text, but also token-level confidence trajectories that record how uncertainty evolves during inference. Whether these trajectories are relevant to reasoning correctness remains unclear. Here we show that confidence trajectories encode a content-agnostic confidence geometry associated with trace-level final-answer correctness. Using only token-level confidence values, without access to the input question, reasoning text, hidden states, or external verifiers, we find that low-dimensional representations of confidence trajectories separate correct from incorrect reasoning traces. Across GSM8K, MATH, and MMLU, this geometric separation is quantitatively linked to downstream predictability: stronger clustering of correct and incorrect traces, measured by the Davies--Bouldin index, consistently corresponds to higher correctness-discrimination AUC. We further show that correctness-related information is enriched in the tail of reasoning, suggesting that late-stage confidence dynamics carry key correctness signals. We propose NeuralConf, a lightweight estimator that learns from confidence trajectories for correctness evaluation. Under a fixed trace budget, NeuralConf-derived scores improve confidence-weighted answer aggregation over majority voting, tail confidence, and other static baselines. These results reveal that LLMs expose trace-intrinsic statistical signals of correctness through their own confidence dynamics, offering a route to improve inference using information already present within generation.
Distributional Energy-Based Models for Uncertainty-Aware Structured LLM Reasoning
When Large Language Models produce structured outputs such as travel plans, code solutions, or multi-step proofs, individual reasoning steps may appear correct while the output as a whole violates budgets, fails test cases, or contradicts earlier deductions. We propose a decomposed energy function that combines a learned quality scorer with deterministic analytical constraint penalties for verifying structured LLM outputs. The quality scorer is a heterogeneous ensemble of low-rank adapters on a single frozen encoder (3% trainable parameters); the ensemble mean ranks candidates while the standard deviation quantifies epistemic uncertainty, driving a two-pass inference loop that triggers targeted regeneration or abstention. Across five benchmarks (GSM8K, MuSR, TravelPlanner, TACO, Knights & Knaves), our 149M-parameter verifier orchestrating a pool of 7-26B open generators outperforms single-shot Qwen-72B on every benchmark, matches Claude Sonnet 4.6 on MuSR (67.7% vs. 68.0%), and reduces constraint violations by 53% relative to Opus 4.6 on TravelPlanner (oracle 0.028, random 0.231). The two routes are complementary: structural verification wins when constraints are checkable (the verifier captures signal frontier models cannot self-detect), while pretraining-scale priors win where they are not (narrative inference, code semantics). A cross-dataset confounding analysis confirms genuine quality discrimination on four reasoning tasks and identifies a model-identity shortcut on code, mitigated via last-layer retraining. Scorers trained on difficult data transfer zero-shot: a MuSR-trained scorer achieves 93.9% on GSM8K without seeing a math problem.
Calibrating LLMs with Semantic-level Reward
As large language models (LLMs) are deployed in consequential settings such as medical question answering and legal reasoning, the ability to estimate when their outputs are likely to be correct is essential for safe and reliable use, requiring well-calibrated uncertainty. Standard reinforcement learning with verifiable rewards (RLVR) trains models with a binary correctness reward that is indifferent to confidence, providing no penalty for confident but wrong predictions and thereby degrading calibration. Recent work addresses this by training models to produce verbalized confidence scores alongside answers and rewarding agreement with correctness. However, verbalized confidence is calibrated at the token level and thus exhibits inconsistency across textual variations with same semantic meaning. We propose \textbf{Calibration with Semantic Reward (CSR)}, a framework that calibrates language models directly in semantic space without a verbalized confidence interface. CSR combines the correctness reward with a novel semantic calibration reward that encourages exploitation among correct rollouts by promoting semantic agreement, and exploration among incorrect ones by discouraging spurious consistency. Experiments across three model families on HotpotQA (in-distribution) and TriviaQA, MSMARCO, and NQ-Open (out-of-distribution) show that CSR consistently achieves lower ECE and higher AUROC than verbalized-confidence baselines across nearly all settings, reducing ECE by up to and improving AUROC by up to over verbalized-confidence baselines, with calibration behavior generalizing robustly across all four evaluation settings.
Margin-Adaptive Confidence Ranking for Reliable LLM Judgement
Jung et al. (2025) introduce a hypothesis testing framework for guaranteeing agreement between large language models (LLMs) and human judgments, relying on the assumption that the model's estimated confidence is monotonic with respect to human-disagreement risk. In practice, however, this assumption may be violated, and the generalization behavior of the confidence estimator is not explicitly analyzed. We mitigate these issues by learning a dedicated confidence estimator instead of relying on heuristic confidence signals. Our approach leverages simulated annotator diversity and a margin-based ranking formulation to explicitly model how confidently an LLM distinguishes between human-agreement and human-disagreement cases. We further derive generalization guarantees for this estimator, revealing a margin-dependent trade-off that informs the design of an adaptive estimator training procedure. When integrated into fixed-sequence testing, the learned confidence estimator yields improved ranking accuracy and empirically strengthens the monotonic relationship between confidence and disagreement risk, leading to higher success rates in satisfying target agreement levels across multiple datasets and judge models.
Uncertainty Quantification for Large Language Diffusion Models
Large Language Diffusion Models (LLDMs) are emerging as an alternative to autoregressive models, offering faster inference through higher parallelism. Similar to autoregressive LLMs, they remain prone to hallucinations, making reliable uncertainty quantification (UQ) crucial for safe deployment. However, existing UQ methods are fundamentally misaligned with this new paradigm: they assume autoregressive factorization or use expensive repeated sampling, negating the efficiency of LLDMs. In this work, we present the first systematic study of UQ for LLDMs and propose lightweight, zero-shot uncertainty signals derived from the iterative denoising process, leveraging intermediate generations, token remasking dynamics, and denoising complexity. We further adapt a state-of-the-art UQ method to LLDMs by combining masked diffusion likelihoods with trajectory-based semantic dissimilarity. We prove that expected trajectory dissimilarity lower bounds the masked diffusion training objective, which motivates its usage as an uncertainty score. Comprehensive experiments across three tasks, eight datasets, and two models show that our method achieves a great cost-performance trade-off: it approaches the strongest sampling-based baselines while incurring up to 100x lower computational overhead. Our work demonstrates that LLDMs can deliver both fast inference and reliable hallucination detection simultaneously.
When Evidence Conflicts: Uncertainty and Order Effects in Retrieval-Augmented Biomedical Question Answering
Biomedical retrieval-augmented large language models (LLMs) often face evidence that is incomplete, misleading, or internally contradictory, yet evaluation usually emphasizes answer accuracy under helpful context rather than reliability under conflict. Using HealthContradict, we evaluate six open-weight LLMs under five controlled evidence conditions: no retrieved context, correct-only context, incorrect-only context, and two mixed conditions containing both correct and contradictory documents in opposite orders. In this conflicting-evidence order contrast, where the same two documents are both present and only their order is reversed, accuracy drops for every model and 11.4%--25.2% of predictions flip. To support abstention in these difficult cases, we also evaluate a conflict-aware abstention score that combines model confidence with a detector of evidence conflict. In the two hardest conditions, this score improves selective accuracy over confidence-only, with mean gains of 7.2--33.4 points in incorrect-only (
IC') and 3.6--14.4 points in incorrect-first conflicting (ICC') conditions across 75%, 50%, and 25% coverage. These results show that conflicting biomedical evidence is both an uncertainty and robustness problem and motivate evaluation and abstention methods that explicitly account for evidence disagreement.Inducing Artificial Uncertainty in Language Models
In safety-critical applications, language models should be able to characterize their uncertainty with meaningful probabilities. Many uncertainty quantification approaches require supervised data; however, finding suitable unseen challenging data is increasingly difficult for large language models trained on vast amounts of scraped data. If the model is consistently (and correctly) confident in its predictions, the uncertainty quantification method may consistently overestimate confidence on new and unfamiliar data. Finding data which exhibits enough uncertainty to train supervised uncertainty quantification methods for high-performance models may therefore be challenging, and will increase in difficulty as LLMs saturate datasets. To address this issue, we first introduce the problem of inducing artificial uncertainty in language models, then investigate methods of inducing artificial uncertainty on trivially easy data in the absence of challenging data at training time. We use probes trained to recognize artificial uncertainty on the original model, and find that these probes trained on artificial uncertainty outperform probes trained without artificial uncertainty in recognizing real uncertainty, achieving notably higher calibration on hard data with minimal loss of performance on easy data.
LLMs as Implicit Imputers: Uncertainty Should Scale with Missing Information
Large language models (LLMs) are increasingly deployed in settings where the available context is incomplete or degraded. We argue that an LLM generating answers under incomplete context can be viewed as an implicit imputer, and evaluated against a criterion from the multiple imputation (MI) literature: uncertainty should scale with the amount of missing information. We assess this criterion on SQuAD, using a controlled framework in which context availability is varied across five levels. We evaluate two answer-level uncertainty measures that can be estimated from repeated sampling: sampling-based confidence (empirical mode frequency) and response entropy. Confidence fails to reflect increasing missingness: it remains high even as accuracy collapses. Entropy, by contrast, increases with context removal, consistent with the MI analogy, and explains substantially more variance in accuracy than confidence across all evidence levels (quadratic gap up to 0.057). We further introduce a black-box diagnostic that estimates the proportion of baseline uncertainty resolved by context level , requiring only repeated sampling with and without context. These results suggest that entropy is a more responsive black-box uncertainty measure than confidence under incomplete context.
ORCE: Order-Aware Alignment of Verbalized Confidence in Large Language Models
Large language models (LLMs) often produce answers with high certainty even when they are incorrect, making reliable confidence estimation essential for deployment in real-world scenarios. Verbalized confidence, where models explicitly state their confidence in natural language, provides a flexible and user-facing uncertainty signal that can be applied even when token logits are unavailable. However, existing verbalized-confidence methods often optimize answer generation and confidence generation jointly, which can cause confidence-alignment objectives to interfere with answer accuracy. In this work, we propose a decoupled and order-aware framework for verbalized confidence calibration. Our method first generates an answer and then estimates confidence conditioned on the fixed question--answer pair, allowing confidence optimization without directly perturbing the answer-generation process. To align confidence with correctness likelihood, we construct a sampling-based surrogate from multiple model completions and optimize rank-based reinforcement learning objectives that encourage responses with higher estimated correctness likelihood to receive higher verbalized confidence. Experiments on reasoning and knowledge-intensive benchmarks show that our method improves calibration and failure prediction performance while largely preserving answer accuracy. These results demonstrate that verbalized confidence can be more reliably aligned by decoupling confidence estimation from answer generation and optimizing the relative ordering of confidence across responses.
Uncertainty Quantification for LLM-based Code Generation
Prediction sets provide a theoretically grounded framework for quantifying uncertainty in machine learning models. Adapting them to structured generation tasks, in particular, large language model (LLM) based code generation, remains a challenging problem. An existing attempt proposes PAC prediction sets but is limited by its strong monotonicity assumption on risk and single-label classification framework, which severely limits the space of candidate programs and cannot accommodate the multiple valid outputs inherent to code generation. To address these limitations, we propose an approach RisCoSet that leverages multiple hypothesis testing to construct risk-controlling predictions for LLM-based code generation. Given a trained code generation model, we produce a prediction set represented by a partial program, which is guaranteed to contain a correct solution with high confidence. Extensive experiments on three LLMs demonstrate the effectiveness of the proposed method. For instance, compared with the state-of-the-art, our method can significantly reduce the code removal by up to 24.5%, at the same level of risk.
Assessing and Mitigating Miscalibration in LLM-Based Social Science Measurement
Large language models (LLMs) are increasingly used in social science as scalable measurement tools for converting unstructured text into variables that can enter standard empirical designs. Measurement validity demands more than high average accuracy, which requires well calibrated confidence that faithfully reflects the empirical probability of each measurement being correct. This paper studies the model miscalibration in LLM-based social science measurement. We begin with a case study on FOMC and show that confidence based filtering can change downstream regression estimates when LLM confidence is miscalibrated. We then audit calibration across 14 social science constructs covering both proprietary models, including GPT-5-mini, DeepSeek-V3.2, and open source models. Across tasks and model families, reported confidence is poorly aligned with tolerance-based correctness. As a simple mitigation, we propose a soft label distillation pipeline for calibrating Bert with LLM. The method converts an LLM score and its verbalized confidence into a soft target distribution, then trains a smaller discriminative classifier on encoder models for these targets. Averaged across datasets, this approach reduces ECE by 43.2% and Brier by 34.0%. These results suggest that LLM-based social science pipelines should treat calibration as part of measurement validity, rather than as an optional post-processing concern.
Agent-BRACE: Decoupling Beliefs from Actions in Long-Horizon Tasks via Verbalized State Uncertainty
Large language models (LLMs) are increasingly deployed on long-horizon tasks in partially observable environments, where they must act while inferring and tracking a complex environment state over many steps. This leads to two challenges: partial observability requires maintaining uncertainty over unobserved world attributes, and long interaction history causes context to grow without bound, diluting task-relevant information. A principled solution to both challenges is a belief state: a posterior distribution over environment states given past observations and actions, which compactly encodes history for decision making regardless of episode length. In LLM agents, however, the open-ended nature of text makes it unclear how to represent such a distribution. Therefore, we introduce Agent-BRACE: Agent Belief state Representation via Abstraction and Confidence Estimation, a method that decouples an LLM agent into a belief state model and a policy model, jointly optimized via reinforcement learning. The belief state model produces a structured approximation of the belief distribution: a set of atomic natural language claims about the environment, each annotated with an ordinal verbalized certainty label ranging from certain to unknown. The policy model conditions on this compact, structured approximate belief rather than the full history, learning to select actions under explicit uncertainty. Across long-horizon, partially observable embodied language environments, Agent-BRACE achieves an average absolute improvement of +14.5% (Qwen2.5-3B-Instruct) and +5.3% (Qwen3-4B-Instruct), outperforming strong RL baselines while maintaining a near-constant context window independent of episode length. Further analysis shows that the learned belief becomes increasingly calibrated over the course of an episode as evidence accumulates.
AcuityBench: Evaluating Clinical Acuity Identification and Uncertainty Alignment
We introduce AcuityBench, a benchmark for evaluating whether language models identify the appropriate urgency of care from user medical presentations. Existing health benchmarks emphasize medical question answering, broad health interactions, or narrow workflow-specific triage tasks, but they do not offer a unified evaluation of acuity identification across these settings. AcuityBench addresses this gap by harmonizing five public datasets spanning user conversations, online forum posts, clinical vignettes, and patient portal messages under a shared four-level acuity framework ranging from home monitoring to immediate emergency care. The benchmark contains 914 cases, including 697 consensus cases for standard accuracy evaluation and 217 physician-confirmed ambiguous cases for uncertainty-aware evaluation. It supports two complementary task formats: explicit four-way classification in a QA setting, and free-form conversational responses evaluated with a rubric-based judge anchored to the same framework. Across 12 frontier proprietary and open-weight models, we find substantial variation in clear-case acuity accuracy and error direction. Comparing task formats reveals a systematic tradeoff: conversational responses reduce over-triage but increase under-triage relative to QA, especially in higher-acuity cases. In ambiguous cases, no model closely matches the distribution of physician judgments, and model predictions are more concentrated than expert clinical uncertainty. We also compare expert and model adjudication on a subset of maximally ambiguous cases, using those cases to examine the role of clinical uncertainty in label disagreement. Together, these results position acuity identification as a distinct safety-critical capability and show that AcuityBench enables systematic comparison and stress-testing of how well models guide users to the right level of care in real-world health use.
VERDI: Single-Call Confidence Estimation for Verification-Based LLM Judges via Decomposed Inference
LLM-as-Judge systems are widely deployed for automated evaluation, yet practitioners lack reliable methods to know when a judge's verdict should be trusted. Token log-probabilities, the standard post-hoc confidence signal, are unavailable for many commercial LLMs and, even when accessible, saturate above 0.999 with structured JSON output. We introduce VERDI (VERification-Decomposed Inference), a method that extracts confidence from the reasoning trace a structured judge already produces, with no additional inference calls. VERDI decomposes each verification-style evaluation into sub-checks and derives three structural signals: Step-Verdict Alignment, Claim-Level Margin, and Evidence Grounding Score. We combine them with Platt-scaled logistic regression. On three public benchmarks, VERDI achieves AUROC 0.72-0.91 on GPT-4.1-mini and 0.66-0.80 on GPT-5.4-mini. On Qwen3.5-4B/9B/27B, where answer-token logprobs are anti-calibrated (higher confidence on errors, AUROC 0.32-0.49), VERDI achieves 0.56-0.70. We additionally validate on a production system with eight rubrics (AUROC 0.73-0.88 on factual rubrics), demonstrate cross-model transfer (AUROC 0.66-0.69), and show that a 33M-parameter NLI (Natural Language Inference) model provides a scalable alternative to regex extraction.
Epistemic Uncertainty for Test-Time Discovery
Automated scientific discovery using large language models relies on identifying genuinely novel solutions. Standard reinforcement learning penalizes high-variance mutations, which leads the policy to prioritize familiar patterns. As a result, the maximum reward plateaus even as the average reward increases. Overcoming this limitation requires a signal that distinguishes unexplored regions from intrinsically difficult problems. This necessitates measuring disagreement across independently adapted weight hypotheses rather than relying on a single network's confidence. UG-TTT addresses this challenge by maintaining a small ensemble of low-rank adapters over a frozen base model. The per-token disagreement, quantified as the mutual information between ensemble predictions and weight hypotheses, isolates epistemic uncertainty and identifies positions where insufficient coverage leads to adapter divergence rather than intrinsic problem difficulty. This measure is incorporated as an exploration bonus into the policy gradient, directing the policy toward positions where persistent adapter disagreement signals low training coverage, the same frontier where genuine discovery is possible. A nuclear norm regularizer ensures the adapters remain distinct from one another, thereby preserving the exploration signal throughout training. Across four scientific discovery benchmarks, UG-TTT increases the maximum reward on three tasks, maintains substantially higher solution diversity, and an ablation study confirms that the regularizer is essential for sustaining this behavior.
Aligning LLM Uncertainty with Human Disagreement in Subjectivity Analysis
Large language models for subjectivity analysis are typically trained with aggregated labels, which compress variations in human judgment into a single supervision signal. This paradigm overlooks the intrinsic uncertainty of low-agreement samples and often induces overconfident predictions, undermining reliability and generalization in complex subjective settings. In this work, we advocate uncertainty-aware subjectivity analysis, where models are expected to make predictions while expressing uncertainty that reflects human disagreement. To operationalize this perspective, we propose a two-phase Disagreement Perception and Uncertainty Alignment (DPUA) framework. Specifically, DPUA jointly models label prediction, rationale generation, and uncertainty expression under an uncertainty-aware setting. In the disagreement perception phase, adaptive decoupled learning enhances the model's sensitivity to disagreement-related cues while preserving task performance. In the uncertainty alignment phase, GRPO-based reward optimization further improves uncertainty-aware reasoning and aligns the model's confidence expression with the human disagreement distribution. Experiments on three subjectivity analysis tasks show that DPUA preserves task performance while better aligning model uncertainty with human disagreement, mitigating overconfidence on boundary samples, and improving out-of-distribution generalization.
ANCHOR: Abductive Network Construction with Hierarchical Orchestration for Reliable Probability Inference in Large Language Models
A central challenge in large-scale decision-making under incomplete information is estimating reliable probabilities. Recent approaches use Large Language Models (LLMs) to generate explanatory factors and coarse-grained probability estimates, which are then refined by a Naïve Bayes model over factor combinations. However, sparse factor spaces often yield
unknown'' predictions, while expanding factors increases noise and spurious correlations, weakening conditional independence and degrading reliability. To address these limitations, we propose \textsc{Anchor}, an aggregated Bayesian inference framework over a hierarchical factor space. It constructs dense factor hierarchies through iterative generation and clustering, maps contexts via hierarchical retrieval and refinement, and augments Naïve Bayes with a Causal Bayesian Network to model latent factor dependencies. Experiments show that \textsc{Anchor} markedly reduces unknown'' predictions and produces more reliable probability estimates than direct LLM baselines, achieving state-of-the-art performance while significantly reducing time and token overhead.UCCI: Calibrated Uncertainty for Cost-Optimal LLM Cascade Routing
LLM cascades and model routing promise lower inference cost by sending easy queries to a small model and escalating hard ones to a large model, but most deployed routers use uncalibrated confidence scores and require per-workload threshold tuning. We present UCCI, a calibration-first router that maps token-level margin uncertainty to a per-query error probability via isotonic regression and selects the escalation threshold by constrained cost minimization. Under three explicit assumptions, threshold policies on the calibrated score are cost-optimal, and isotonic calibration achieves O(n^{-1/3}) sample complexity for expected calibration error (ECE). On a production named entity recognition workload of 75,000 queries served by 4B and 12B instruction-tuned LLMs on H100 GPUs, UCCI cuts inference cost by 31% (95% CI: [27%, 35%]) at micro-F1 = 0.91 while reducing ECE from 0.12 to 0.03. At the same operating point, UCCI beats entropy thresholding, split-conformal routing, and a FrugalGPT-style learned threshold. All cascade results use end-to-end routing on actual model outputs and measured H100 latency, not simulated routing from global accuracies or nominal API prices.
Trust or Abstain? A Self-Aware RAG Approach
Retrieval-augmented generation (RAG) improves large language models (LLMs) by incorporating external evidence, but it also introduces knowledge conflicts when retrieved contextual knowledge (CK) and parametric knowledge (PK) disagree or are both unreliable. Existing approaches mainly coordinate which source to use, without explicitly asking whether each answer path is correct. We argue that faithful RAG requires LLM self-awareness, namely the ability to recognize the limits of its own knowledge and reasoning. To ground this problem, we construct a model-specific, ground-truth-aligned knowledge-conflict benchmark by evaluating LLM backbones on PK-only and CK-conditioned answer paths over approximately 69K query-context instances per backbone, drawn from five conflict-QA datasets. We then introduce SABER, a Self-Aware Belief Estimator for RAG that requires no LLM fine-tuning. SABER combines a self-prior with PK-side and CK-side conditional reasoning representations from multi-trace inference, then estimates reliability beliefs with two lightweight predictors to drive a 4-cell decision over trust PK, trust CK, trust either, or abstain. Across four LLM backbones, SABER improves end-to-end accuracy and conflict-specific faithfulness over ten inference-time and fine-tuning baselines, with the largest gains on conflict-heavy datasets. Under abstention, SABER's risk-coverage curve Pareto-dominates every prompt-based abstainer, providing a tunable balance between coverage and answer risk. Our code is available at https://github.com/xizhu1022/SABER.
The Metacognitive Probe: Five Behavioural Calibration Diagnostics for LLMs
The Metacognitive Probe is an exploratory five-task, 15-slot diagnostic that decomposes an LLM's confidence behaviour into five behaviourally-distinct dimensions: confidence calibration (T1-CC), epistemic vigilance (T2-EV), knowledge boundary (T3-KB), calibration range (T4-CR), and reasoning-chain validation (T5-RCV). It is evaluated on N=8 frontier models and N=69 humans. The instrument is motivated by Flavell (1979) and Nelson and Narens (1990) but operates on observable confidence-correctness alignment; it is not a validated cross-species metacognition scale, and the pre-specified human developmental hypothesis was falsified. Composite benchmarks (MMLU, BIG-Bench, HELM, GPQA) ask whether a model produces a correct response. They are silent on whether the model knows when its response is wrong. A model can score 80 on a composite calibration benchmark and still be wildly overconfident in narrow pockets the aggregate cannot surface. The Metacognitive Probe surfaces those pockets. Our headline is a 47-point within-model dissociation in Gemini 2.5 Flash: panel-best within-task calibration (T1-CC = 88; Spearman rho = +0.551, 95% CI [+0.14, +0.80], p = 0.005) and panel-worst cross-task difficulty prediction (T4-CR = 41; sigma_conf = 1.4 across twelve factoids).
A Semantic-Sampling Framework for Evaluating Calibration in Open-Ended Question Answering
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-ECE, the same-sample self-consistency score, and Sem-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 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.
Uncertainty-Aware Structured Data Extraction from Full CMR Reports via Distilled LLMs
Converting free-text cardiac magnetic resonance (CMR) reports into auditable structured data remains a bottleneck for cohort assembly, longitudinal curation, and clinical decision support. We present CMR-EXTR, a lightweight framework that converts free-text CMR reports into structured data and assigns per-field confidence for quality control. A teacher-student distillation pipeline enables fully offline inference while limiting manual annotation. Uncertainty integrates three complementary principles -- distribution plausibility, sampling stability, and cross-field consistency -- to triage human review. Experiments show that CMR-EXTR achieves 99.65% variable-level accuracy, demonstrating both reliable extraction and informative confidence scores. To our knowledge, this is the first CMR-specific extraction system with integrated confidence estimation. The code is available at https://github.com/yuyi1005/CMR-EXTR.