Daily Papers

We propose a new approach for propagating stable probability distributions through neural networks. Our method is based on local linearization, which we show to be an optimal approximation in terms of total variation distance for the ReLU non-linearity. This allows propagating Gaussian and Cauchy input uncertainties through neural networks to quantify their output uncertainties. To demonstrate the utility of propagating distributions, we apply the proposed method to predicting calibrated confidence intervals and selective prediction on out-of-distribution data. The results demonstrate a broad applicability of propagating distributions and show the advantages of our method over other approaches such as moment matching.

AI text-to-app tools promise high quality applications and websites in minutes, yet no public benchmark rigorously verifies those claims. We introduce UI-Bench, the first large-scale benchmark that evaluates visual excellence across competing AI text-to-app tools through expert pairwise comparison. Spanning 10 tools, 30 prompts, 300 generated sites, and 4,000+ expert judgments, UI-Bench ranks systems with a TrueSkill-derived model that yields calibrated confidence intervals. UI-Bench establishes a reproducible standard for advancing AI-driven web design. We release (i) the complete prompt set, (ii) an open-source evaluation framework, and (iii) a public leaderboard. The generated sites rated by participants will be released soon. View the UI-Bench leaderboard at https://uibench.ai/leaderboard.

Accurate uncertainty measurement is a key step to building robust and reliable machine learning systems. Conformal prediction is a distribution-free uncertainty quantification algorithm popular for its ease of implementation, statistical coverage guarantees, and versatility for underlying forecasters. However, existing conformal prediction algorithms for time series are limited to single-step prediction without considering the temporal dependency. In this paper, we propose a Copula Conformal Prediction algorithm for multivariate, multi-step Time Series forecasting, CopulaCPTS. We prove that CopulaCPTS has finite sample validity guarantee. On several synthetic and real-world multivariate time series datasets, we show that CopulaCPTS produces more calibrated and sharp confidence intervals for multi-step prediction tasks than existing techniques.

LLM-as-judge evaluation has become the de facto standard for scaling model assessment, but the practice is statistically unsound: uncalibrated scores can invert preferences, naive confidence intervals on uncalibrated scores achieve near-0% coverage, and importance-weighted estimators collapse under limited overlap despite high effective sample size (ESS). We introduce Causal Judge Evaluation (CJE), a framework that fixes all three failures. On n=4,961 Chatbot Arena prompts (after filtering from 5k), CJE achieves 99% pairwise ranking accuracy at full sample size (94% averaged across configurations), matching oracle quality, at 14x lower cost (for ranking 5 policies) by calibrating a 16x cheaper judge on just 5% oracle labels (~250 labels). CJE combines three components: (i) AutoCal-R, reward calibration via mean-preserving isotonic regression; (ii) SIMCal-W, weight stabilization via stacking of S-monotone candidates; and (iii) Oracle-Uncertainty Aware (OUA) inference that propagates calibration uncertainty into confidence intervals. We formalize the Coverage-Limited Efficiency (CLE) diagnostic, which explains why IPS-style estimators fail even when ESS exceeds 90%: the logger rarely visits regions where target policies concentrate. Key findings: SNIPS inverts rankings even with reward calibration (38% pairwise, negative Kendall's tau) due to weight instability; calibrated IPS remains near-random (47%) despite weight stabilization, consistent with CLE; OUA improves coverage from near-0% to ~86% (Direct) and ~96% (stacked-DR), where naive intervals severely under-cover.

We propose a fully data-driven approach to designing mutual information (MI) estimators. Since any MI estimator is a function of the observed sample from two random variables, we parameterize this function with a neural network (MIST) and train it end-to-end to predict MI values. Training is performed on a large meta-dataset of 625,000 synthetic joint distributions with known ground-truth MI. To handle variable sample sizes and dimensions, we employ a two-dimensional attention scheme ensuring permutation invariance across input samples. To quantify uncertainty, we optimize a quantile regression loss, enabling the estimator to approximate the sampling distribution of MI rather than return a single point estimate. This research program departs from prior work by taking a fully empirical route, trading universal theoretical guarantees for flexibility and efficiency. Empirically, the learned estimators largely outperform classical baselines across sample sizes and dimensions, including on joint distributions unseen during training. The resulting quantile-based intervals are well-calibrated and more reliable than bootstrap-based confidence intervals, while inference is orders of magnitude faster than existing neural baselines. Beyond immediate empirical gains, this framework yields trainable, fully differentiable estimators that can be embedded into larger learning pipelines. Moreover, exploiting MI's invariance to invertible transformations, meta-datasets can be adapted to arbitrary data modalities via normalizing flows, enabling flexible training for diverse target meta-distributions.

Identifying how much a model {p}_{theta}(Y|X) knows about the stochastic real-world process p(Y|X) it was trained on is important to ensure it avoids producing incorrect or "hallucinated" answers or taking unsafe actions. But this is difficult for generative models because probabilistic predictions do not distinguish between per-response noise (aleatoric uncertainty) and lack of knowledge about the process (epistemic uncertainty), and existing epistemic uncertainty quantification techniques tend to be overconfident when the model underfits. We propose a general strategy for teaching a model to both approximate p(Y|X) and also estimate the remaining gaps between {p}_{theta}(Y|X) and p(Y|X): train it to predict pairs of independent responses drawn from the true conditional distribution, allow it to "cheat" by observing one response while predicting the other, then measure how much it cheats. Remarkably, we prove that being good at cheating (i.e. cheating whenever it improves your prediction) is equivalent to being second-order calibrated, a principled extension of ordinary calibration that allows us to construct provably-correct frequentist confidence intervals for p(Y|X) and detect incorrect responses with high probability. We demonstrate empirically that our approach accurately estimates how much models don't know across ambiguous image classification, (synthetic) language modeling, and partially-observable navigation tasks, outperforming existing techniques.

Recent advances in machine learning have significantly improved prediction accuracy in various applications. However, ensuring the calibration of probabilistic predictions remains a significant challenge. Despite efforts to enhance model calibration, the rigorous statistical evaluation of model calibration remains less explored. In this work, we develop confidence intervals the ell_2 Expected Calibration Error (ECE). We consider top-1-to-k calibration, which includes both the popular notion of confidence calibration as well as full calibration. For a debiased estimator of the ECE, we show asymptotic normality, but with different convergence rates and asymptotic variances for calibrated and miscalibrated models. We develop methods to construct asymptotically valid confidence intervals for the ECE, accounting for this behavior as well as non-negativity. Our theoretical findings are supported through extensive experiments, showing that our methods produce valid confidence intervals with shorter lengths compared to those obtained by resampling-based methods.

Activation oracles aim to make the activations of other models legible to humans and yield promising results compared to white-box interpretability techniques. However, uncertainty quantification (UQ) for the natural-language outputs of such activation oracles is so far understudied. Here, we investigate 6 different methods for estimating the confidence of activation oracles and evaluate how well-calibrated their confidence scores are. Our experiments on 6,000 samples per oracle (varying verbalizer and context prompts) reveal that bootstrap mode frequency is the best-calibrated method among those tested (ECE 5.7% vs. 25.5% for the answer-word log-probability on Qwen3-8B; 10.3% vs. 13.1% on Qwen3.6-27B), and that the log-prob baseline can serve as a fast triage signal at a fraction of the cost. Code and the patched trainer are available at https://github.com/federicotorrielli/probabilistic_activation_oracles.

The National Comprehensive Cancer Network (NCCN) provides evidence-based guidelines for cancer treatment. Translating complex patient presentations into guideline-compliant treatment recommendations is time-intensive, requires specialized expertise, and is prone to error. Advances in large language model (LLM) capabilities promise to reduce the time required to generate treatment recommendations and improve accuracy. We present an LLM agent-based approach to automatically generate guideline-concordant treatment trajectories for patients with non-small cell lung cancer (NSCLC). Our contributions are threefold. First, we construct a novel longitudinal dataset of 121 cases of NSCLC patients that includes clinical encounters, diagnostic results, and medical histories, each expertly annotated with the corresponding NCCN guideline trajectories by board-certified oncologists. Second, we demonstrate that existing LLMs possess domain-specific knowledge that enables high-quality proxy benchmark generation for both model development and evaluation, achieving strong correlation (Spearman coefficient r=0.88, RMSE = 0.08) with expert-annotated benchmarks. Third, we develop a hybrid approach combining expensive human annotations with model consistency information to create both the agent framework that predicts the relevant guidelines for a patient, as well as a meta-classifier that verifies prediction accuracy with calibrated confidence scores for treatment recommendations (AUROC=0.800), a critical capability for communicating the accuracy of outputs, custom-tailoring tradeoffs in performance, and supporting regulatory compliance. This work establishes a framework for clinically viable LLM-based guideline adherence systems that balance accuracy, interpretability, and regulatory requirements while reducing annotation costs, providing a scalable pathway toward automated clinical decision support.

Tool-using agents that act in the world need to be both useful and safe. Well-calibrated model confidences can be used to weigh the risk versus reward of potential actions, but prior work shows that many models are poorly calibrated. Inspired by interpretability literature exploring the internals of models, we propose a novel class of model-internal confidence estimators (MICE) to better assess confidence when calling tools. MICE first decodes from each intermediate layer of the language model using logitLens and then computes similarity scores between each layer's generation and the final output. These features are fed into a learned probabilistic classifier to assess confidence in the decoded output. On the simulated trial and error (STE) tool-calling dataset using Llama3 models, we find that MICE beats or matches the baselines on smoothed expected calibration error. Using MICE confidences to determine whether to call a tool significantly improves over strong baselines on a new metric, expected tool-calling utility. Further experiments show that MICE is sample-efficient, can generalize zero-shot to unseen APIs, and results in higher tool-calling utility in scenarios with varying risk levels. Our code is open source, available at https://github.com/microsoft/mice_for_cats.

We present a novel approach for attacking black-box large language models (LLMs) by exploiting their ability to express confidence in natural language. Existing black-box attacks require either access to continuous model outputs like logits or confidence scores (which are rarely available in practice), or rely on proxy signals from other models. Instead, we demonstrate how to prompt LLMs to express their internal confidence in a way that is sufficiently calibrated to enable effective adversarial optimization. We apply our general method to three attack scenarios: adversarial examples for vision-LLMs, jailbreaks and prompt injections. Our attacks successfully generate malicious inputs against systems that only expose textual outputs, thereby dramatically expanding the attack surface for deployed LLMs. We further find that better and larger models exhibit superior calibration when expressing confidence, creating a concerning security paradox where model capability improvements directly enhance vulnerability. Our code is available at this [link](https://github.com/zj-jayzhang/black_box_llm_optimization).

Confidence estimation for Vision-Language-Action (VLA) models is essential for robots to perform manipulation tasks in the open world, providing crucial signals for risk-sensitive decision-making and failure anticipation. Existing confidence estimation methods typically rely on ensemble-based paradigms or action-token probabilities to predict the likelihood of task success. However, they still encounter challenges in computational efficiency and cross-architecture generalizability. These methods usually require repeated sampling, leading to inference inefficiency, and are restricted to VLA models with discrete action outputs, making them difficult to apply to continuous action spaces. To address this issue, we propose VLAConf, a one-class discriminative confidence framework. By leveraging frozen pretrained VLA internal representations, VLAConf directly estimates step-wise anomaly scores in a single forward pass using a lightweight confidence head, thereby eliminating the overhead of exhaustive resampling. We additionally use step-conditioned modeling to encode rollout-phase information along the manipulation trajectory. Experiments on the LIBERO benchmark demonstrate that VLAConf significantly improves the quality of the confidence signal constructed for post-hoc calibration, outperforming existing baselines by a large margin in inference efficiency. The effectiveness of VLAConf is further validated in real-robot experiments. To access the source code and supplementary videos, visit https://sites.google.com/view/vlaconf.

Dynamic Retrieval-Augmented Generation adaptively determines when to retrieve during generation to mitigate hallucinations in large language models (LLMs). However, existing methods rely on model-internal signals (e.g., logits, entropy), which are fundamentally unreliable because LLMs are typically ill-calibrated and often exhibit high confidence in erroneous outputs. We propose QuCo-RAG, which shifts from subjective confidence to objective statistics computed from pre-training data. Our method quantifies uncertainty through two stages: (1) before generation, we identify low-frequency entities indicating long-tail knowledge gaps; (2) during generation, we verify entity co-occurrence in the pre-training corpus, where zero co-occurrence often signals hallucination risk. Both stages leverage Infini-gram for millisecond-latency queries over 4 trillion tokens, triggering retrieval when uncertainty is high. Experiments on multi-hop QA benchmarks show QuCo-RAG achieves EM gains of 5--12 points over state-of-the-art baselines with OLMo-2 models, and transfers effectively to models with undisclosed pre-training data (Llama, Qwen, GPT), improving EM by up to 14 points. Domain generalization on biomedical QA further validates the robustness of our paradigm. These results establish corpus-grounded verification as a principled, practically model-agnostic paradigm for dynamic RAG. Our code is publicly available at https://github.com/ZhishanQ/QuCo-RAG.

Confidence calibration -- the problem of predicting probability estimates representative of the true correctness likelihood -- is important for classification models in many applications. We discover that modern neural networks, unlike those from a decade ago, are poorly calibrated. Through extensive experiments, we observe that depth, width, weight decay, and Batch Normalization are important factors influencing calibration. We evaluate the performance of various post-processing calibration methods on state-of-the-art architectures with image and document classification datasets. Our analysis and experiments not only offer insights into neural network learning, but also provide a simple and straightforward recipe for practical settings: on most datasets, temperature scaling -- a single-parameter variant of Platt Scaling -- is surprisingly effective at calibrating predictions.

Large language models (LLMs) are increasingly used as evaluators in lieu of humans. While scalable, their judgments are noisy due to imperfect specificity and sensitivity of LLMs, leading to biased accuracy estimates. Although bias-correction methods exist, they are underutilized in LLM research and typically assume exact knowledge of the model's specificity and sensitivity. Furthermore, in general we only have estimates of these values and it is not well known how to properly construct confidence intervals using only estimates. This work presents a simple plug-in framework that corrects such bias and constructs confidence intervals reflecting uncertainty from both test and calibration dataset, enabling practical and statistically sound LLM-based evaluation. Additionally, to reduce uncertainty in the accuracy estimate, we introduce an adaptive algorithm that efficiently allocates calibration sample sizes.

Calibrated uncertainty estimates in machine learning are crucial to many fields such as autonomous vehicles, medicine, and weather and climate forecasting. While there is extensive literature on uncertainty calibration for classification, the classification findings do not always translate to regression. As a result, modern models for predicting uncertainty in regression settings typically produce uncalibrated and overconfident estimates. To address these gaps, we present a calibration method for regression settings that does not assume a particular uncertainty distribution over the error: Calibrating Regression Uncertainty Distributions Empirically (CRUDE). CRUDE makes the weaker assumption that error distributions have a constant arbitrary shape across the output space, shifted by predicted mean and scaled by predicted standard deviation. We detail a theoretical connection between CRUDE and conformal inference. Across an extensive set of regression tasks, CRUDE demonstrates consistently sharper, better calibrated, and more accurate uncertainty estimates than state-of-the-art techniques.

Honesty alignment-the ability of large language models (LLMs) to recognize their knowledge boundaries and express calibrated confidence-is essential for trustworthy deployment. Existing methods either rely on training-free confidence estimation (e.g., token probabilities, self-consistency) or training-based calibration with correctness annotations. While effective, achieving universal honesty alignment with training-based calibration requires costly, large-scale labeling. To support annotation-efficient training, we introduce Elicitation-Then-Calibration (EliCal), a two-stage framework that first elicits internal confidence using inexpensive self-consistency supervision, then calibrates this confidence with a small set of correctness annotations. To support a large-scale study, we release HonestyBench, a benchmark covering ten free-form QA datasets with 560k training and 70k evaluation instances annotated with correctness and self-consistency signals. Experiments show that EliCal achieves near-optimal alignment with only 1k correctness annotations (0.18% of full supervision) and better alignment performance on unseen MMLU tasks than the calibration-only baseline, offering a scalable solution toward universal honesty alignment in LLMs.

Given a large pool of unlabelled data and a smaller amount of labels, prediction-powered inference (PPI) leverages machine learning predictions to increase the statistical efficiency of confidence interval procedures based solely on labelled data, while preserving fixed-time validity. In this paper, we extend the PPI framework to the sequential setting, where labelled and unlabelled datasets grow over time. Exploiting Ville's inequality and the method of mixtures, we propose prediction-powered confidence sequence procedures that are asymptotically valid uniformly over time and naturally accommodate prior knowledge on the quality of the predictions to further boost efficiency. We carefully illustrate the design choices behind our method and demonstrate its effectiveness in real and synthetic examples.

Reliable confidence estimation is increasingly central to the trustworthy deployment of language models: a calibrated estimate of the probability that an output is correct decides what to ship, what to escalate, and what to retry. Existing confidence estimators, however, share one design premise: they only read the current inference process, either by introspecting on it, scoring its token probabilities, or resampling it. We argue that the current inference is not a sufficient basis for confidence. We propose XConf (eXperiential Confidence): estimating confidence together with the model's accumulated experience. The experience is stored as a record of the model's own graded past episodes, each holding the task, the model's reflection, its stated confidence, the outcome, and a lesson written once the grade arrived. Given a new task, XConf's Recall stage retrieves past episodes on similar tasks met with a similar stated confidence, and reads off their historical success rate; its Reflect stage shows the model this record, has it name its recurring failure mode, and restate a confidence now informed by its own track records. Our estimator is format-general, requiring no logit access or weight updates, and costs only one answer generation. Across nine benchmarks spanning reasoning, coding, multimodal QA, and interactive agents, and four models from three families, XConf beats or matches ten-sample self-consistency in discrimination (AUROC) on 23 of 24 comparisons, with much lower calibration error (ECE), at a tenth of the generation cost. Used for selective prediction, abstaining on the 10% least-confident episodes raises the delivered success rate by up to 8.7 points on agent tasks. We therefore see experiential confidence estimation as a new paradigm for future general-purpose confidence estimation.

Applications such as weather forecasting and personalized medicine demand models that output calibrated probability estimates---those representative of the true likelihood of a prediction. Most models are not calibrated out of the box but are recalibrated by post-processing model outputs. We find in this work that popular recalibration methods like Platt scaling and temperature scaling are (i) less calibrated than reported, and (ii) current techniques cannot estimate how miscalibrated they are. An alternative method, histogram binning, has measurable calibration error but is sample inefficient---it requires O(B/ε^2) samples, compared to O(1/ε^2) for scaling methods, where B is the number of distinct probabilities the model can output. To get the best of both worlds, we introduce the scaling-binning calibrator, which first fits a parametric function to reduce variance and then bins the function values to actually ensure calibration. This requires only O(1/ε^2 + B) samples. Next, we show that we can estimate a model's calibration error more accurately using an estimator from the meteorological community---or equivalently measure its calibration error with fewer samples (O(B) instead of O(B)). We validate our approach with multiclass calibration experiments on CIFAR-10 and ImageNet, where we obtain a 35% lower calibration error than histogram binning and, unlike scaling methods, guarantees on true calibration. In these experiments, we also estimate the calibration error and ECE more accurately than the commonly used plugin estimators. We implement all these methods in a Python library: https://pypi.org/project/uncertainty-calibration

Accurate confidence calibration in Large Language Models (LLMs) is critical for safe use in high-stakes domains, where clear verbalized confidence enhances user trust. Traditional methods that mimic reference confidence expressions often fail to capture the reasoning needed for accurate confidence assessment. We propose natural language critiques as a solution, ideally suited for confidence calibration, as precise gold confidence labels are hard to obtain and often require multiple generations. This paper studies how natural language critiques can enhance verbalized confidence, addressing: (1) What to critique: uncertainty (question-focused) or confidence (answer-specific)? Analysis shows confidence suits multiple-choice tasks, while uncertainty excels in open-ended scenarios. (2) How to critique: self-critique or critique calibration training? We propose Self-Critique, enabling LLMs to critique and optimize their confidence beyond mere accuracy, and CritiCal, a novel Critique Calibration training method that leverages natural language critiques to improve confidence calibration, moving beyond direct numerical optimization. Experiments show that CritiCal significantly outperforms Self-Critique and other competitive baselines, even surpassing its teacher model, GPT-4o, in complex reasoning tasks. CritiCal also shows robust generalization in out-of-distribution settings, advancing LLM's reliability.

This paper argues for the widest possible use of bootstrap confidence intervals for comparing NLP system performances instead of the state-of-the-art status (SOTA) and statistical significance testing. Their main benefits are to draw attention to the difference in performance between two systems and to help assessing the degree of superiority of one system over another. Two cases studies, one comparing several systems and the other based on a K-fold cross-validation procedure, illustrate these benefits. A python module for obtaining these confidence intervals as well as a second function implementing the Fisher-Pitman test for paired samples are freely available on PyPi.

Forecasting has become a natural benchmark for reasoning under uncertainty. Yet existing evaluations of large language models remain limited to judgmental tasks in simple formats, such as binary or multiple-choice questions. In practice, however, forecasting spans a far broader scope. Across domains such as economics, public health, and social demographics, decisions hinge on numerical estimates over continuous quantities, a capability that current benchmarks do not capture. Evaluating such estimates requires a format that makes uncertainty explicit and testable. We propose prediction intervals as a natural and rigorous interface for this purpose. They demand scale awareness, internal consistency across confidence levels, and calibration over a continuum of outcomes, making them a more suitable evaluation format than point estimates for numerical forecasting. To assess this capability, we introduce a new benchmark QuantSightBench, and evaluate frontier models under multiple settings, assessing both empirical coverage and interval sharpness. Our results show that none of the 11 evaluated frontier and open-weight models achieves the 90\% coverage target, with the top performers Gemini 3.1 Pro (79.1\%), Grok 4 (76.4\%), and GPT-5.4 (75.3\%) all falling at least 10 percentage points short. Calibration degrades sharply at extreme magnitudes, revealing systematic overconfidence across all evaluated models.

Modern machine learning methods including deep learning have achieved great success in predictive accuracy for supervised learning tasks, but may still fall short in giving useful estimates of their predictive {\em uncertainty}. Quantifying uncertainty is especially critical in real-world settings, which often involve input distributions that are shifted from the training distribution due to a variety of factors including sample bias and non-stationarity. In such settings, well calibrated uncertainty estimates convey information about when a model's output should (or should not) be trusted. Many probabilistic deep learning methods, including Bayesian-and non-Bayesian methods, have been proposed in the literature for quantifying predictive uncertainty, but to our knowledge there has not previously been a rigorous large-scale empirical comparison of these methods under dataset shift. We present a large-scale benchmark of existing state-of-the-art methods on classification problems and investigate the effect of dataset shift on accuracy and calibration. We find that traditional post-hoc calibration does indeed fall short, as do several other previous methods. However, some methods that marginalize over models give surprisingly strong results across a broad spectrum of tasks.

Normalised citation counts are routinely used to assess the average impact of research groups or nations. There is controversy over whether confidence intervals for them are theoretically valid or practically useful. In response, this article introduces the concept of a group's underlying research capability to produce impactful research. It then investigates whether confidence intervals could delimit the underlying capability of a group in practice. From 123120 confidence interval comparisons for the average citation impact of the national outputs of ten countries within 36 individual large monodisciplinary journals, moderately fewer than 95% of subsequent indicator values fall within 95% confidence intervals from prior years, with the percentage declining over time. This is consistent with confidence intervals effectively delimiting the research capability of a group, although it does not prove that this is the cause of the results. The results are unaffected by whether internationally collaborative articles are included.

Retrieval Augmented Generation (RAG) complements the knowledge of Large Language Models (LLMs) by leveraging external information to enhance response accuracy for queries. This approach is widely applied in several fields by taking its advantage of injecting the most up-to-date information, and researchers are focusing on understanding and improving this aspect to unlock the full potential of RAG in such high-stakes applications. However, despite the potential of RAG to address these needs, the mechanisms behind the confidence levels of its outputs remain underexplored, although the confidence of information is very critical in some domains, such as finance, healthcare, and medicine. Our study focuses the impact of RAG on confidence within the medical domain under various configurations and models. We evaluate confidence by treating the model's predicted probability as its output and calculating Expected Calibration Error (ECE) and Adaptive Calibration Error (ACE) scores based on the probabilities and accuracy. In addition, we analyze whether the order of retrieved documents within prompts calibrates the confidence. Our findings reveal large variation in confidence and accuracy depending on the model, settings, and the format of input prompts. These results underscore the necessity of optimizing configurations based on the specific model and conditions.

Algorithms such as Differentially Private SGD enable training machine learning models with formal privacy guarantees. However, there is a discrepancy between the protection that such algorithms guarantee in theory and the protection they afford in practice. An emerging strand of work empirically estimates the protection afforded by differentially private training as a confidence interval for the privacy budget varepsilon spent on training a model. Existing approaches derive confidence intervals for varepsilon from confidence intervals for the false positive and false negative rates of membership inference attacks. Unfortunately, obtaining narrow high-confidence intervals for epsilon using this method requires an impractically large sample size and training as many models as samples. We propose a novel Bayesian method that greatly reduces sample size, and adapt and validate a heuristic to draw more than one sample per trained model. Our Bayesian method exploits the hypothesis testing interpretation of differential privacy to obtain a posterior for varepsilon (not just a confidence interval) from the joint posterior of the false positive and false negative rates of membership inference attacks. For the same sample size and confidence, we derive confidence intervals for varepsilon around 40% narrower than prior work. The heuristic, which we adapt from label-only DP, can be used to further reduce the number of trained models needed to get enough samples by up to 2 orders of magnitude.

We address the problem of uncertainty calibration and introduce a novel calibration method, Parametrized Temperature Scaling (PTS). Standard deep neural networks typically yield uncalibrated predictions, which can be transformed into calibrated confidence scores using post-hoc calibration methods. In this contribution, we demonstrate that the performance of accuracy-preserving state-of-the-art post-hoc calibrators is limited by their intrinsic expressive power. We generalize temperature scaling by computing prediction-specific temperatures, parameterized by a neural network. We show with extensive experiments that our novel accuracy-preserving approach consistently outperforms existing algorithms across a large number of model architectures, datasets and metrics.

We show that a GPT-3 model can learn to express uncertainty about its own answers in natural language -- without use of model logits. When given a question, the model generates both an answer and a level of confidence (e.g. "90% confidence" or "high confidence"). These levels map to probabilities that are well calibrated. The model also remains moderately calibrated under distribution shift, and is sensitive to uncertainty in its own answers, rather than imitating human examples. To our knowledge, this is the first time a model has been shown to express calibrated uncertainty about its own answers in natural language. For testing calibration, we introduce the CalibratedMath suite of tasks. We compare the calibration of uncertainty expressed in words ("verbalized probability") to uncertainty extracted from model logits. Both kinds of uncertainty are capable of generalizing calibration under distribution shift. We also provide evidence that GPT-3's ability to generalize calibration depends on pre-trained latent representations that correlate with epistemic uncertainty over its answers.

Reliable uncertainty quantification remains a central challenge in predictive modeling. While Bayesian methods are theoretically appealing, their predictive intervals can exhibit poor frequentist calibration, particularly with small sample sizes or model misspecification. We introduce a practical and broadly applicable Bayesian conformal approach based on the influence-function Bayesian bootstrap (BB) with data-driven tuning of the Dirichlet concentration parameter, α. By efficiently approximating the Bayesian bootstrap predictive distribution via influence functions and calibrating α to optimize empirical coverage or average log-probability, our method constructs prediction intervals and distributions that are both well-calibrated and sharp. Across a range of regression models and data settings, this Bayesian conformal framework consistently yields improved empirical coverage and log-score compared to standard Bayesian posteriors. Our procedure is fast, easy to implement, and offers a flexible approach for distributional calibration in predictive modeling.

A trustworthy real-world prediction system should produce well-calibrated confidence scores; that is, its confidence in an answer should be indicative of the likelihood that the answer is correct, enabling deferral to an expert in cases of low-confidence predictions. Recent studies have shown that unsupervised pre-training produces large language models (LMs) whose conditional probabilities are remarkably well-calibrated. However, the most widely-used LMs are fine-tuned with reinforcement learning from human feedback (RLHF-LMs), and some studies have suggested that RLHF-LMs produce conditional probabilities that are very poorly calibrated. In light of this perceived weakness, we conduct a broad evaluation of methods for extracting confidence scores from RLHF-LMs. For RLHF-LMs such as ChatGPT, GPT-4, and Claude, we find that verbalized confidences emitted as output tokens are typically better-calibrated than the model's conditional probabilities on the TriviaQA, SciQ, and TruthfulQA benchmarks, often reducing the expected calibration error by a relative 50%.

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.

We introduce a framework for calibrating machine learning models so that their predictions satisfy explicit, finite-sample statistical guarantees. Our calibration algorithms work with any underlying model and (unknown) data-generating distribution and do not require model refitting. The framework addresses, among other examples, false discovery rate control in multi-label classification, intersection-over-union control in instance segmentation, and the simultaneous control of the type-1 error of outlier detection and confidence set coverage in classification or regression. Our main insight is to reframe the risk-control problem as multiple hypothesis testing, enabling techniques and mathematical arguments different from those in the previous literature. We use the framework to provide new calibration methods for several core machine learning tasks, with detailed worked examples in computer vision and tabular medical data.

Hoffmann et al. (2022) propose three methods for estimating a compute-optimal scaling law. We attempt to replicate their third estimation procedure, which involves fitting a parametric loss function to a reconstruction of data from their plots. We find that the reported estimates are inconsistent with their first two estimation methods, fail at fitting the extracted data, and report implausibly narrow confidence intervals--intervals this narrow would require over 600,000 experiments, while they likely only ran fewer than 500. In contrast, our rederivation of the scaling law using the third approach yields results that are compatible with the findings from the first two estimation procedures described by Hoffmann et al.

Overconfidence and underconfidence in machine learning classifiers is measured by calibration: the degree to which the probabilities predicted for each class match the accuracy of the classifier on that prediction. How one measures calibration remains a challenge: expected calibration error, the most popular metric, has numerous flaws which we outline, and there is no clear empirical understanding of how its choices affect conclusions in practice, and what recommendations there are to counteract its flaws. In this paper, we perform a comprehensive empirical study of choices in calibration measures including measuring all probabilities rather than just the maximum prediction, thresholding probability values, class conditionality, number of bins, bins that are adaptive to the datapoint density, and the norm used to compare accuracies to confidences. To analyze the sensitivity of calibration measures, we study the impact of optimizing directly for each variant with recalibration techniques. Across MNIST, Fashion MNIST, CIFAR-10/100, and ImageNet, we find that conclusions on the rank ordering of recalibration methods is drastically impacted by the choice of calibration measure. We find that conditioning on the class leads to more effective calibration evaluations, and that using the L2 norm rather than the L1 norm improves both optimization for calibration metrics and the rank correlation measuring metric consistency. Adaptive binning schemes lead to more stablity of metric rank ordering when the number of bins vary, and is also recommended. We open source a library for the use of our calibration measures.

Machine learning models are widely used, but can also often be wrong. Users would benefit from a reliable indication of whether a given output from a given model should be trusted, so a rational decision can be made whether to use the output or not. For example, outputs can be associated with a confidence measure; if this confidence measure is strongly associated with likelihood of correctness, then the model is said to be well-calibrated. A well-calibrated confidence measure can serve as a basis for rational, graduated decision-making on how much review and care is needed when using generated code. Calibration has so far been studied in mostly non-generative (e.g. classification) settings, especially in software engineering. However, generated code can quite often be wrong: Given generated code, developers must decide whether to use directly, use after varying intensity of careful review, or discard model-generated code. Thus, calibration is vital in generative settings. We make several contributions. We develop a framework for evaluating the calibration of code-generating models. We consider several tasks, correctness criteria, datasets, and approaches, and find that, by and large, generative code models we test are not well-calibrated out of the box. We then show how calibration can be improved using standard methods, such as Platt scaling. Since Platt scaling relies on the prior availability of correctness data, we evaluate the applicability and generalizability of Platt scaling in software engineering, discuss settings where it has good potential for practical use, and settings where it does not. Our contributions will lead to better-calibrated decision-making in the current use of code generated by language models, and offers a framework for future research to further improve calibration methods for generative models in software engineering.

A well-calibrated model should express confidence that matches its actual accuracy -- when it claims 80\% confidence, it should be correct 80\% of the time. While large language models (LLMs) have achieved remarkable performance across diverse tasks, their epistemic calibration remains poorly understood. We introduce KalshiBench, a benchmark of 300 prediction market questions from Kalshi, a CFTC-regulated exchange, with verifiable real-world outcomes occurring after model training cutoffs. Unlike traditional benchmarks measuring accuracy on static knowledge, KalshiBench evaluates whether models can appropriately quantify uncertainty about genuinely unknown future events. We evaluate five frontier models -- Claude Opus 4.5, GPT-5.2, DeepSeek-V3.2, Qwen3-235B, and Kimi-K2 -- and find systematic overconfidence across all models. Even the best-calibrated model (Claude Opus 4.5, ECE=0.120) shows substantial calibration errors, while reasoning-enhanced models like GPT-5.2-XHigh exhibit worse calibration (ECE=0.395) despite comparable accuracy. Critically, only one model achieves a positive Brier Skill Score, indicating most models perform worse than simply predicting base rates. Our findings suggest that scaling and enhanced reasoning do not automatically confer calibration benefits, highlighting epistemic calibration as a distinct capability requiring targeted development.

Accurate sensor calibration is crucial for autonomous systems, yet its uncertainty quantification remains underexplored. We present the first approach to integrate uncertainty awareness into online extrinsic calibration, combining Monte Carlo Dropout with Conformal Prediction to generate prediction intervals with a guaranteed level of coverage. Our method proposes a framework to enhance existing calibration models with uncertainty quantification, compatible with various network architectures. Validated on KITTI (RGB Camera-LiDAR) and DSEC (Event Camera-LiDAR) datasets, we demonstrate effectiveness across different visual sensor types, measuring performance with adapted metrics to evaluate the efficiency and reliability of the intervals. By providing calibration parameters with quantifiable confidence measures, we offer insights into the reliability of calibration estimates, which can greatly improve the robustness of sensor fusion in dynamic environments and usefully serve the Computer Vision community.

This paper introduces a structural equation formulation that gives rise to a new family of quasi-periodic Gaussian processes, useful to process a broad class of natural and physiological signals. The proposed formulation simplifies generation and forecasting, and provides hyperparameter estimates, which we exploit in a convergent and consistent iterative estimation algorithm. A bootstrap approach for standard error estimation and confidence intervals is also provided. We demonstrate the computational and scaling benefits of the proposed approach on a broad class of problems, including water level tidal analysis, CO_{2} emission data, and sunspot numbers data. By leveraging the structural equations, our method reduces the cost of likelihood evaluations and predictions from O(k^2 p^2) to O(p^2), significantly improving scalability.

Autonomous agents based on large language models (LLMs) are rapidly evolving to handle multi-turn tasks, but ensuring their trustworthiness remains a critical challenge. A fundamental pillar of this trustworthiness is calibration, which refers to an agent's ability to express confidence that reliably reflects its actual performance. While calibration is well-established for static models, its dynamics in tool-integrated agentic workflows remain underexplored. In this work, we systematically investigate verbalized calibration in tool-use agents, revealing a fundamental confidence dichotomy driven by tool type. Specifically, our pilot study identifies that evidence tools (e.g., web search) systematically induce severe overconfidence due to inherent noise in retrieved information, while verification tools (e.g., code interpreters) can ground reasoning through deterministic feedback and mitigate miscalibration. To robustly improve calibration across tool types, we propose a reinforcement learning (RL) fine-tuning framework that jointly optimizes task accuracy and calibration, supported by a holistic benchmark of reward designs. We demonstrate that our trained agents not only achieve superior calibration but also exhibit robust generalization from local training environments to noisy web settings and to distinct domains such as mathematical reasoning. Our results highlight the necessity of domain-specific calibration strategies for tool-use agents. More broadly, this work establishes a foundation for building self-aware agents that can reliably communicate uncertainty in high-stakes, real-world deployments.

Given a black-box AI system and a task, at what confidence level can a practitioner trust the system's output? We answer with a reliability level -- a single number per system-task pair, derived from self-consistency sampling and conformal calibration, that serves as a black-box deployment gate with exact, finite-sample, distribution-free guarantees. Self-consistency sampling reduces uncertainty exponentially; conformal calibration guarantees correctness within 1/(n+1) of the target level, regardless of the system's errors -- made transparently visible through larger answer sets for harder questions. Weaker models earn lower reliability levels (not accuracy -- see Definition 2.4): GPT-4.1 earns 94.6% on GSM8K and 96.8% on TruthfulQA, while GPT-4.1-nano earns 89.8% on GSM8K and 66.5% on MMLU. We validate across five benchmarks, five models from three families, and both synthetic and real data. Conditional coverage on solvable items exceeds 0.93 across all configurations; sequential stopping reduces API costs by around 50%.

Calibration measures and reliability diagrams are two fundamental tools for measuring and interpreting the calibration of probabilistic predictors. Calibration measures quantify the degree of miscalibration, and reliability diagrams visualize the structure of this miscalibration. However, the most common constructions of reliability diagrams and calibration measures -- binning and ECE -- both suffer from well-known flaws (e.g. discontinuity). We show that a simple modification fixes both constructions: first smooth the observations using an RBF kernel, then compute the Expected Calibration Error (ECE) of this smoothed function. We prove that with a careful choice of bandwidth, this method yields a calibration measure that is well-behaved in the sense of (B{\l}asiok, Gopalan, Hu, and Nakkiran 2023a) -- a consistent calibration measure. We call this measure the SmoothECE. Moreover, the reliability diagram obtained from this smoothed function visually encodes the SmoothECE, just as binned reliability diagrams encode the BinnedECE. We also provide a Python package with simple, hyperparameter-free methods for measuring and plotting calibration: `pip install relplot\`.

Calibration of language models -- the alignment between expressed or implicit confidence and empirical correctness -- is a well-studied subfield within NLP. Methods to measure it already exist. The problem is adoption: outside this subfield, NLP research regularly introduces new models, datasets, and benchmarks without checking whether the model's confidence scores are meaningful. We argue that this adoption gap is a major obstacle to trustworthy LLM evaluation. Miscalibration causes problems in two distinct areas: at deployment, where overconfident mistakes cause real harm, and inside the research pipeline, where methods like LLM-as-a-judge, synthetic data generation, and active learning rely on calibrated confidence without verifying it. Standard calibration metrics only require two inputs per example: a confidence score and a correctness judgment. Most benchmarks in use today already provide both, meaning calibration can be reported immediately. For open-ended generation, however, defining these two inputs is still an open challenge. We argue that each NLP subfield should pair its main performance metric with a calibration score and call for treating calibration as an essential property of every model rather than a niche topic.

While test-time scaling has enabled large language models to solve highly difficult tasks, state-of-the-art results come at exorbitant compute costs. These inefficiencies can be attributed to the miscalibration of post-trained language models, and the lack of calibration in popular sampling techniques. Here, we present Online Reasoning Calibration (ORCA), a framework for calibrating the sampling process that draws upon conformal prediction and test-time training. Specifically, we introduce a meta-learning procedure that updates the calibration module for each input. This allows us to provide valid confidence estimates under distributional shift, e.g. in thought patterns that occur across different stages of reasoning, or in prompt distributions between model development and deployment. ORCA not only provides theoretical guarantees on conformal risks, but also empirically shows higher efficiency and generalization across different reasoning tasks. At risk level δ=0.1, ORCA improves Qwen2.5-32B efficiency on in-distribution tasks with savings up to 47.5% with supervised labels and 40.7% with self-consistency labels. Under zero-shot out-of-domain settings, it improves MATH-500 savings from 24.8% of the static calibration baseline to 67.0% while maintaining a low empirical error rate, and the same trend holds across model families and downstream benchmarks. Our code is publicly available at https://github.com/wzekai99/ORCA.

Quantile regression is a fundamental problem in statistical learning motivated by a need to quantify uncertainty in predictions, or to model a diverse population without being overly reductive. For instance, epidemiological forecasts, cost estimates, and revenue predictions all benefit from being able to quantify the range of possible values accurately. As such, many models have been developed for this problem over many years of research in statistics, machine learning, and related fields. Rather than proposing yet another (new) algorithm for quantile regression we adopt a meta viewpoint: we investigate methods for aggregating any number of conditional quantile models, in order to improve accuracy and robustness. We consider weighted ensembles where weights may vary over not only individual models, but also over quantile levels, and feature values. All of the models we consider in this paper can be fit using modern deep learning toolkits, and hence are widely accessible (from an implementation point of view) and scalable. To improve the accuracy of the predicted quantiles (or equivalently, prediction intervals), we develop tools for ensuring that quantiles remain monotonically ordered, and apply conformal calibration methods. These can be used without any modification of the original library of base models. We also review some basic theory surrounding quantile aggregation and related scoring rules, and contribute a few new results to this literature (for example, the fact that post sorting or post isotonic regression can only improve the weighted interval score). Finally, we provide an extensive suite of empirical comparisons across 34 data sets from two different benchmark repositories.

Increasing test-time computation is a straightforward approach to enhancing the quality of responses in Large Language Models (LLMs). While Best-of-N sampling and Self-Consistency with majority voting are simple and effective, they require a fixed number of sampling responses for each query, regardless of its complexity. This could result in wasted computation for simpler questions and insufficient exploration for more challenging ones. In this work, we argue that model confidence of responses can be used for improving the efficiency of test-time scaling. Unfortunately, LLMs are known to be overconfident and provide unreliable confidence estimation. To address this limitation, we introduce Self-Calibration by distilling Self-Consistency-derived confidence into the model itself. This enables reliable confidence estimation at test time with one forward pass. We then design confidence-based efficient test-time scaling methods to handle queries of various difficulty, such as Early-Stopping for Best-of-N and Self-Consistency with calibrated confidence. Experiments on three LLMs across six datasets demonstrate the effectiveness of our approach. Specifically, applying confidence-based Early Stopping to Best-of-N improves MathQA accuracy from 81.0 to 83.6 with a sample budget of 16 responses, indicating the efficacy of confidence-based sampling strategy at inference time.

While confidence estimation is a promising direction for mitigating hallucinations in Large Language Models (LLMs), current research dominantly focuses on single-turn settings. The dynamics of model confidence in multi-turn conversations, where context accumulates and ambiguity is progressively resolved, remain largely unexplored. Reliable confidence estimation in multi-turn settings is critical for many downstream applications, such as autonomous agents and human-in-the-loop systems. This work presents the first systematic study of confidence estimation in multi-turn interactions, establishing a formal evaluation framework grounded in two key desiderata: per-turn calibration and monotonicity of confidence as more information becomes available. To facilitate this, we introduce novel metrics, including a length-normalized Expected Calibration Error (InfoECE), and a new "Hinter-Guesser" paradigm for generating controlled evaluation datasets. Our experiments reveal that widely-used confidence techniques struggle with calibration and monotonicity in multi-turn dialogues. We propose P(Sufficient), a logit-based probe that achieves comparatively better performance, although the task remains far from solved. Our work provides a foundational methodology for developing more reliable and trustworthy conversational agents.

The use of large language models (LLMs) as automated evaluation tools to assess the quality of generated natural language, known as LLMs-as-Judges, has demonstrated promising capabilities and is rapidly gaining widespread attention. However, when applied to pairwise comparisons of candidate responses, LLM-based evaluators often exhibit selection bias. Specifically, their judgments may become inconsistent when the option positions or ID tokens are swapped, compromising the effectiveness and fairness of the evaluation result. To address this challenge, we introduce CalibraEval, a novel label-free method for mitigating selection bias during inference. Specifically, CalibraEval reformulates debiasing as an optimization task aimed at adjusting observed prediction distributions to align with unbiased prediction distributions. To solve this optimization problem, we propose a non-parametric order-preserving algorithm (NOA). This algorithm leverages the partial order relationships between model prediction distributions, thereby eliminating the need for explicit labels and precise mathematical function modeling.Empirical evaluations of LLMs in multiple representative benchmarks demonstrate that CalibraEval effectively mitigates selection bias and improves performance compared to existing debiasing methods. This work marks a step toward building more robust and unbiased automated evaluation frameworks, paving the way for improved reliability in AI-driven assessments

Empowering large language models to accurately express confidence in their answers is essential for trustworthy decision-making. Previous confidence elicitation methods, which primarily rely on white-box access to internal model information or model fine-tuning, have become less suitable for LLMs, especially closed-source commercial APIs. This leads to a growing need to explore the untapped area of black-box approaches for LLM uncertainty estimation. To better break down the problem, we define a systematic framework with three components: prompting strategies for eliciting verbalized confidence, sampling methods for generating multiple responses, and aggregation techniques for computing consistency. We then benchmark these methods on two key tasks-confidence calibration and failure prediction-across five types of datasets (e.g., commonsense and arithmetic reasoning) and five widely-used LLMs including GPT-4 and LLaMA 2 Chat. Our analysis uncovers several key insights: 1) LLMs, when verbalizing their confidence, tend to be overconfident, potentially imitating human patterns of expressing confidence. 2) As model capability scales up, both calibration and failure prediction performance improve. 3) Employing our proposed strategies, such as human-inspired prompts, consistency among multiple responses, and better aggregation strategies can help mitigate this overconfidence from various perspectives. 4) Comparisons with white-box methods indicate that while white-box methods perform better, the gap is narrow, e.g., 0.522 to 0.605 in AUROC. Despite these advancements, none of these techniques consistently outperform others, and all investigated methods struggle in challenging tasks, such as those requiring professional knowledge, indicating significant scope for improvement. We believe this study can serve as a strong baseline and provide insights for eliciting confidence in black-box LLMs.

Conformal prediction (CP) provides distribution-free prediction intervals for fixed forecasters, but its standard calibration procedure is often inefficient for time series data, where forecast errors are temporally dependent and change across time and operating conditions. Recent time series CP methods improve local calibration using recent, weighted, or localized residuals. Yet local calibration can remain indirect, since broad residual weighting or additional adaptation procedures may dilute the evidence most relevant to the current prediction. This motivates a simple retrieval and correction strategy that selects similar past residuals as local evidence and then corrects the coverage error left by retrieval. In this paper, we propose Retrieval--Corrected Conformal Prediction (RCCP), a retrieval-augmented calibration method for time series prediction intervals. RCCP builds an asymmetric interval from retrieved one-sided residuals and calibrates its normalized retrieval error with a scalar conformal correction. Thus, retrieval provides local residual evidence, while conformal correction determines the final scale needed for coverage. We provide a coverage-gap bound based on the stability of the normalized retrieval error distribution. Across standard benchmarks and backbone forecasters, RCCP attains the target coverage in every setting and achieves the lowest Winkler scores, with fewer severe misses. RCCP also achieves low calibration and inference overhead, showing that retrieval-corrected calibration is an effective and scalable approach to uncertainty quantification in time series forecasting. Code is available at https://github.com/jinsaaang/rccp.

Multi-class classification methods that produce sets of probabilistic classifiers, such as ensemble learning methods, are able to model aleatoric and epistemic uncertainty. Aleatoric uncertainty is then typically quantified via the Bayes error, and epistemic uncertainty via the size of the set. In this paper, we extend the notion of calibration, which is commonly used to evaluate the validity of the aleatoric uncertainty representation of a single probabilistic classifier, to assess the validity of an epistemic uncertainty representation obtained by sets of probabilistic classifiers. Broadly speaking, we call a set of probabilistic classifiers calibrated if one can find a calibrated convex combination of these classifiers. To evaluate this notion of calibration, we propose a novel nonparametric calibration test that generalizes an existing test for single probabilistic classifiers to the case of sets of probabilistic classifiers. Making use of this test, we empirically show that ensembles of deep neural networks are often not well calibrated.

Consistently checking the statistical significance of experimental results is one of the mandatory methodological steps to address the so-called "reproducibility crisis" in deep reinforcement learning. In this tutorial paper, we explain how the number of random seeds relates to the probabilities of statistical errors. For both the t-test and the bootstrap confidence interval test, we recall theoretical guidelines to determine the number of random seeds one should use to provide a statistically significant comparison of the performance of two algorithms. Finally, we discuss the influence of deviations from the assumptions usually made by statistical tests. We show that they can lead to inaccurate evaluations of statistical errors and provide guidelines to counter these negative effects. We make our code available to perform the tests.

Class probabilities predicted by most multiclass classifiers are uncalibrated, often tending towards over-confidence. With neural networks, calibration can be improved by temperature scaling, a method to learn a single corrective multiplicative factor for inputs to the last softmax layer. On non-neural models the existing methods apply binary calibration in a pairwise or one-vs-rest fashion. We propose a natively multiclass calibration method applicable to classifiers from any model class, derived from Dirichlet distributions and generalising the beta calibration method from binary classification. It is easily implemented with neural nets since it is equivalent to log-transforming the uncalibrated probabilities, followed by one linear layer and softmax. Experiments demonstrate improved probabilistic predictions according to multiple measures (confidence-ECE, classwise-ECE, log-loss, Brier score) across a wide range of datasets and classifiers. Parameters of the learned Dirichlet calibration map provide insights to the biases in the uncalibrated model.

Process reward models (PRMs) play a central role in guiding inference-time scaling algorithms for large language models (LLMs). However, we observe that even state-of-the-art PRMs can be poorly calibrated and often overestimate success probabilities. To address this, we present a calibration approach, performed via quantile regression, that adjusts PRM outputs to better align with true success probabilities. Leveraging these calibrated success estimates and their associated confidence bounds, we introduce an instance-adaptive scaling (IAS) framework that dynamically adjusts the inference budget based on the estimated likelihood that a partial reasoning trajectory will yield a correct final answer. Unlike conventional methods that allocate a fixed number of reasoning trajectories per query, this approach successfully adapts to each instance and reasoning step when using our calibrated PRMs. Experiments on mathematical reasoning benchmarks show that (i) our PRM calibration method successfully achieves small calibration error, outperforming the baseline methods, (ii) calibration is crucial for enabling effective adaptive scaling, and (iii) the proposed IAS strategy reduces inference costs while maintaining final answer accuracy, utilizing less compute on more confident problems as desired.

Large Language Models (LLMs) are increasingly deployed in high-stakes domains such as science, law, and healthcare, where accurate expressions of uncertainty are essential for reliability and trust. However, current LLMs are often observed to generate incorrect answers with high confidence, a phenomenon known as "overconfidence". Recent efforts have focused on calibrating LLMs' verbalized confidence: i.e., their expressions of confidence in text form, such as "I am 80% confident that...". Existing approaches either rely on prompt engineering or fine-tuning with heuristically generated uncertainty estimates, both of which have limited effectiveness and generalizability. Motivated by the notion of proper scoring rules for calibration in classical machine learning models, we introduce ConfTuner, a simple and efficient fine-tuning method that introduces minimal overhead and does not require ground-truth confidence scores or proxy confidence estimates. ConfTuner relies on a new loss function, tokenized Brier score, which we theoretically prove to be a proper scoring rule, intuitively meaning that it "correctly incentivizes the model to report its true probability of being correct". ConfTuner improves calibration across diverse reasoning tasks and generalizes to black-box models such as GPT-4o. Our results further show that better-calibrated confidence enables downstream gains in self-correction and model cascade, advancing the development of trustworthy LLM systems. The code is available at https://github.com/liushiliushi/ConfTuner.

In natural language processing, a recently popular line of work explores how to best report the experimental results of neural networks. One exemplar publication, titled "Show Your Work: Improved Reporting of Experimental Results," advocates for reporting the expected validation effectiveness of the best-tuned model, with respect to the computational budget. In the present work, we critically examine this paper. As far as statistical generalizability is concerned, we find unspoken pitfalls and caveats with this approach. We analytically show that their estimator is biased and uses error-prone assumptions. We find that the estimator favors negative errors and yields poor bootstrapped confidence intervals. We derive an unbiased alternative and bolster our claims with empirical evidence from statistical simulation. Our codebase is at http://github.com/castorini/meanmax.

Large language models are increasingly used for content moderation, but most evaluations still report aggregate accuracy on individual benchmarks. We introduce Safety-Flag, which places seven widely used safety benchmarks (BeaverTails, XSTest, Ethics, WildGuard, Aegis, ToxiChat, and ToxiGen) into a single balanced flag / do-not-flag protocol. We release item-level decisions and confidence scores for six general-purpose LLMs and four dedicated guards, together with three reference models, evaluated on the same items. Safety-Flag measures three dimensions of moderator reliability: error direction, probability calibration, and confidence-based error ranking for human review. They often disagree. Aggregate accuracy does not reveal error direction: one model flags 85% of benign content, whereas another misses 54% of harmful content. All six general-purpose models are overconfident; fitting one temperature per model reduces calibration error by 2.8--6.0times without changing predicted labels or confidence ordering. Confidence-based abstention lowers selective risk for every model, although the gains depend on how well confidence ranks errors. Dedicated guards produce fewer false alarms and are better calibrated, but several have higher miss rates outside their documented coverage. We release the benchmark, fixed item lists, evaluation code, per-item model outputs, and leaderboard at: https://github.com/yibo-hu-lab/safety-flag-benchmark.

Confidence calibration is central to providing accurate and interpretable uncertainty estimates, especially under safety-critical scenarios. However, we find that existing calibration algorithms often overlook the issue of *proximity bias*, a phenomenon where models tend to be more overconfident in low proximity data (i.e., data lying in the sparse region of the data distribution) compared to high proximity samples, and thus suffer from inconsistent miscalibration across different proximity samples. We examine the problem over 504 pretrained ImageNet models and observe that: 1) Proximity bias exists across a wide variety of model architectures and sizes; 2) Transformer-based models are relatively more susceptible to proximity bias than CNN-based models; 3) Proximity bias persists even after performing popular calibration algorithms like temperature scaling; 4) Models tend to overfit more heavily on low proximity samples than on high proximity samples. Motivated by the empirical findings, we propose ProCal, a plug-and-play algorithm with a theoretical guarantee to adjust sample confidence based on proximity. To further quantify the effectiveness of calibration algorithms in mitigating proximity bias, we introduce proximity-informed expected calibration error (PIECE) with theoretical analysis. We show that ProCal is effective in addressing proximity bias and improving calibration on balanced, long-tail, and distribution-shift settings under four metrics over various model architectures. We believe our findings on proximity bias will guide the development of *fairer and better-calibrated* models, contributing to the broader pursuit of trustworthy AI. Our code is available at: https://github.com/MiaoXiong2320/ProximityBias-Calibration.

Conformal prediction(CP) has become a cornerstone of distribution-free uncertainty quantification, conventionally evaluated by its coverage and interval length. This work critically examines the sufficiency of these standard metrics. We demonstrate that the interval length might be deceptively improved through a counter-intuitive approach termed Prejudicial Trick(PT), while the coverage remains valid. Specifically, for any given test sample, PT probabilistically returns an interval, which is either null or constructed using an adjusted confidence level, thereby preserving marginal coverage. While PT potentially yields a deceptively lower interval length, it introduces practical vulnerabilities: the same input can yield completely different prediction intervals across repeated runs of the algorithm. We formally derive the conditions under which PT achieves these misleading improvements and provide extensive empirical evidence across various regression and classification tasks. Furthermore, we introduce a new metric interval stability which helps detect whether a new CP method implicitly improves the length based on such PT-like techniques. Code is available at https://github.com/benben-cd/PT-Conformal-Prediction.

Conformal prediction is a theoretically grounded framework for constructing predictive intervals. We study conformal prediction with missing values in the covariates -- a setting that brings new challenges to uncertainty quantification. We first show that the marginal coverage guarantee of conformal prediction holds on imputed data for any missingness distribution and almost all imputation functions. However, we emphasize that the average coverage varies depending on the pattern of missing values: conformal methods tend to construct prediction intervals that under-cover the response conditionally to some missing patterns. This motivates our novel generalized conformalized quantile regression framework, missing data augmentation, which yields prediction intervals that are valid conditionally to the patterns of missing values, despite their exponential number. We then show that a universally consistent quantile regression algorithm trained on the imputed data is Bayes optimal for the pinball risk, thus achieving valid coverage conditionally to any given data point. Moreover, we examine the case of a linear model, which demonstrates the importance of our proposal in overcoming the heteroskedasticity induced by missing values. Using synthetic and data from critical care, we corroborate our theory and report improved performance of our methods.

Reliable probability estimates are critical in many machine learning applications, yet modern classifiers are often poorly calibrated. Post-hoc calibration provides a simple and widely used solution, but the large number of proposed methods, combined with small-scale and inconsistent evaluations, makes it difficult to determine which approaches are truly effective in practice. We introduce a large-scale, standardized benchmark for post-hoc calibration, covering nearly 2000 experiments across tabular and computer vision tasks, including binary, multiclass, and large-scale classification settings. Our benchmark aggregates predictions from a diverse set of classical models, modern deep learning architectures, and foundation models, and provides unified, reproducible implementations of dozens of calibration methods within a common evaluation framework. We argue that Post-Hoc Improvement (PHI) in proper scoring rules offers a principled alternative to traditional calibration error estimators for comparing post-hoc methods, capturing both calibration quality and potential degradation to the model's predictive performance. Using this framework, we conduct the most comprehensive empirical study of post-hoc calibration to date. Our results reveal consistent patterns across domains: smooth calibration functions outperform binning-based approaches, dedicated multiclass methods are essential in high-dimensional settings, and generic machine learning models are not competitive without calibration-specific design. To facilitate future research, we release all data, code, and evaluation tools, providing a plug-and-play benchmark for developing and comparing calibration methods.

We present a new distribution-free conformal prediction algorithm for sequential data (e.g., time series), called the sequential predictive conformal inference (SPCI). We specifically account for the nature that time series data are non-exchangeable, and thus many existing conformal prediction algorithms are not applicable. The main idea is to adaptively re-estimate the conditional quantile of non-conformity scores (e.g., prediction residuals), upon exploiting the temporal dependence among them. More precisely, we cast the problem of conformal prediction interval as predicting the quantile of a future residual, given a user-specified point prediction algorithm. Theoretically, we establish asymptotic valid conditional coverage upon extending consistency analyses in quantile regression. Using simulation and real-data experiments, we demonstrate a significant reduction in interval width of SPCI compared to other existing methods under the desired empirical coverage.

We present an online post-hoc calibration method, called Online Platt Scaling (OPS), which combines the Platt scaling technique with online logistic regression. We demonstrate that OPS smoothly adapts between i.i.d. and non-i.i.d. settings with distribution drift. Further, in scenarios where the best Platt scaling model is itself miscalibrated, we enhance OPS by incorporating a recently developed technique called calibeating to make it more robust. Theoretically, our resulting OPS+calibeating method is guaranteed to be calibrated for adversarial outcome sequences. Empirically, it is effective on a range of synthetic and real-world datasets, with and without distribution drifts, achieving superior performance without hyperparameter tuning. Finally, we extend all OPS ideas to the beta scaling method.

Quantifying the uncertainty of predictions made by large language models (LLMs) in binary text classification tasks remains a challenge. Calibration, in the context of LLMs, refers to the alignment between the model's predicted probabilities and the actual correctness of its predictions. A well-calibrated model should produce probabilities that accurately reflect the likelihood of its predictions being correct. We propose a novel approach that utilizes the inductive Venn--Abers predictor (IVAP) to calibrate the probabilities associated with the output tokens corresponding to the binary labels. Our experiments on the BoolQ dataset using the Llama 2 model demonstrate that IVAP consistently outperforms the commonly used temperature scaling method for various label token choices, achieving well-calibrated probabilities while maintaining high predictive quality. Our findings contribute to the understanding of calibration techniques for LLMs and provide a practical solution for obtaining reliable uncertainty estimates in binary question answering tasks, enhancing the interpretability and trustworthiness of LLM predictions.

Volumetry is one of the principal downstream applications of 3D medical image segmentation, for example, to detect abnormal tissue growth or for surgery planning. Conformal Prediction is a promising framework for uncertainty quantification, providing calibrated predictive intervals associated with automatic volume measurements. However, this methodology is based on the hypothesis that calibration and test samples are exchangeable, an assumption that is in practice often violated in medical image applications. A weighted formulation of Conformal Prediction can be framed to mitigate this issue, but its empirical investigation in the medical domain is still lacking. A potential reason is that it relies on the estimation of the density ratio between the calibration and test distributions, which is likely to be intractable in scenarios involving high-dimensional data. To circumvent this, we propose an efficient approach for density ratio estimation relying on the compressed latent representations generated by the segmentation model. Our experiments demonstrate the efficiency of our approach to reduce the coverage error in the presence of covariate shifts, in both synthetic and real-world settings. Our implementation is available at https://github.com/benolmbrt/wcp_miccai

A/B tests are typically analyzed via frequentist p-values and confidence intervals; but these inferences are wholly unreliable if users endogenously choose samples sizes by *continuously monitoring* their tests. We define *always valid* p-values and confidence intervals that let users try to take advantage of data as fast as it becomes available, providing valid statistical inference whenever they make their decision. Always valid inference can be interpreted as a natural interface for a sequential hypothesis test, which empowers users to implement a modified test tailored to them. In particular, we show in an appropriate sense that the measures we develop tradeoff sample size and power efficiently, despite a lack of prior knowledge of the user's relative preference between these two goals. We also use always valid p-values to obtain multiple hypothesis testing control in the sequential context. Our methodology has been implemented in a large scale commercial A/B testing platform to analyze hundreds of thousands of experiments to date.

Pre-trained Transformers are now ubiquitous in natural language processing, but despite their high end-task performance, little is known empirically about whether they are calibrated. Specifically, do these models' posterior probabilities provide an accurate empirical measure of how likely the model is to be correct on a given example? We focus on BERT and RoBERTa in this work, and analyze their calibration across three tasks: natural language inference, paraphrase detection, and commonsense reasoning. For each task, we consider in-domain as well as challenging out-of-domain settings, where models face more examples they should be uncertain about. We show that: (1) when used out-of-the-box, pre-trained models are calibrated in-domain, and compared to baselines, their calibration error out-of-domain can be as much as 3.5x lower; (2) temperature scaling is effective at further reducing calibration error in-domain, and using label smoothing to deliberately increase empirical uncertainty helps calibrate posteriors out-of-domain.

Multimodal large language models (MLLMs) hold considerable promise for applications in healthcare. However, their deployment in safety-critical settings is hindered by two key limitations: (i) sensitivity to prompt design, and (ii) a tendency to generate incorrect responses with high confidence. As clinicians may rely on a model's stated confidence to gauge the reliability of its predictions, it is especially important that when a model expresses high confidence, it is also highly accurate. We introduce Prompt4Trust, the first reinforcement learning (RL) framework for prompt augmentation targeting confidence calibration in MLLMs. A lightweight LLM is trained to produce context-aware auxiliary prompts that guide a downstream task MLLM to generate responses in which the expressed confidence more accurately reflects predictive accuracy. Unlike conventional calibration techniques, Prompt4Trust specifically prioritizes aspects of calibration most critical for safe and trustworthy clinical decision-making. Beyond improvements driven by this clinically motivated calibration objective, our proposed method also improves task accuracy, achieving state-of-the-art medical visual question answering (VQA) performance on the PMC-VQA benchmark, which is composed of multiple-choice questions spanning diverse medical imaging modalities. Moreover, our framework trained with a small downstream task MLLM showed promising zero-shot generalization to larger MLLMs in our experiments, suggesting the potential for scalable calibration without the associated computational costs. This work demonstrates the potential of automated yet human-aligned prompt engineering for improving the the trustworthiness of MLLMs in safety critical settings. Our codebase can be found at https://github.com/xingbpshen/prompt4trust.

As LLM-based judges become integral to industry applications, obtaining well-calibrated uncertainty estimates efficiently has become critical for production deployment. However, existing techniques, such as verbalized confidence and multi-generation methods, are often either poorly calibrated or computationally expensive. We introduce linear probes trained with a Brier score-based loss to provide calibrated uncertainty estimates from reasoning judges' hidden states, requiring no additional model training. We evaluate our approach on both objective tasks (reasoning, mathematics, factuality, coding) and subjective human preference judgments. Our results demonstrate that probes achieve superior calibration compared to existing methods with approx10x computational savings, generalize robustly to unseen evaluation domains, and deliver higher accuracy on high-confidence predictions. However, probes produce conservative estimates that underperform on easier datasets but may benefit safety-critical deployments prioritizing low false-positive rates. Overall, our work demonstrates that interpretability-based uncertainty estimation provides a practical and scalable plug-and-play solution for LLM judges in production.

We present a comprehensive evaluation of proprietary and open-weights large language models using the first astronomy-specific benchmarking dataset. This dataset comprises 4,425 multiple-choice questions curated from the Annual Review of Astronomy and Astrophysics, covering a broad range of astrophysical topics. Our analysis examines model performance across various astronomical subfields and assesses response calibration, crucial for potential deployment in research environments. Claude-3.5-Sonnet outperforms competitors by up to 4.6 percentage points, achieving 85.0% accuracy. For proprietary models, we observed a universal reduction in cost every 3-to-12 months to achieve similar score in this particular astronomy benchmark. Open-source models have rapidly improved, with LLaMA-3-70b (80.6%) and Qwen-2-72b (77.7%) now competing with some of the best proprietary models. We identify performance variations across topics, with non-English-focused models generally struggling more in exoplanet-related fields, stellar astrophysics, and instrumentation related questions. These challenges likely stem from less abundant training data, limited historical context, and rapid recent developments in these areas. This pattern is observed across both open-weights and proprietary models, with regional dependencies evident, highlighting the impact of training data diversity on model performance in specialized scientific domains. Top-performing models demonstrate well-calibrated confidence, with correlations above 0.9 between confidence and correctness, though they tend to be slightly underconfident. The development for fast, low-cost inference of open-weights models presents new opportunities for affordable deployment in astronomy. The rapid progress observed suggests that LLM-driven research in astronomy may become feasible in the near future.

Although randomized smoothing has demonstrated high certified robustness and superior scalability to other certified defenses, the high computational overhead of the robustness certification bottlenecks the practical applicability, as it depends heavily on the large sample approximation for estimating the confidence interval. In existing works, the sample size for the confidence interval is universally set and agnostic to the input for prediction. This Input-Agnostic Sampling (IAS) scheme may yield a poor Average Certified Radius (ACR)-runtime trade-off which calls for improvement. In this paper, we propose Input-Specific Sampling (ISS) acceleration to achieve the cost-effectiveness for robustness certification, in an adaptive way of reducing the sampling size based on the input characteristic. Furthermore, our method universally controls the certified radius decline from the ISS sample size reduction. The empirical results on CIFAR-10 and ImageNet show that ISS can speed up the certification by more than three times at a limited cost of 0.05 certified radius. Meanwhile, ISS surpasses IAS on the average certified radius across the extensive hyperparameter settings. Specifically, ISS achieves ACR=0.958 on ImageNet (sigma=1.0) in 250 minutes, compared to ACR=0.917 by IAS under the same condition. We release our code in https://github.com/roy-ch/Input-Specific-Certification.

Reliable confidence estimates are essential in semantic segmentation, especially in safety-critical settings where overconfident errors can mislead downstream decisions. Yet modern segmentation models often remain miscalibrated. Post-hoc calibration offers a practical way to correct confidence estimates without retraining the segmentation model, but its use in dense prediction raises structural issues that are often overlooked. We study two such issues. First, adding a constant to all logits leaves the softmax probabilities unchanged, but several standard calibrators can still depend on this arbitrary offset. As a result, two logit representations encoding the same predictive distribution may yield different calibrated probabilities. We define translation-invariant (TI) calibrators as those whose outputs are unchanged under such shifts, characterize which common calibrators satisfy this property, and construct TI counterparts of shift-sensitive calibrators to isolate the effect of removing representation dependence. Second, post-hoc calibration is typically fitted by minimizing a likelihood-based objective, whereas segmentation models are trained with task-specific metrics such as Dice. This mismatch can cause calibration to alter class orderings and degrade the deployed segmentation map. We study decision-preserving calibration under argmax- and order-preservation constraints. Since enforcing these constraints collapses affine softmax calibrators to temperature scaling, we introduce class-conditional affine calibrators that can be made argmax- or order-preserving while retaining greater expressivity, allowing us to quantify the calibration-segmentation trade-off induced by decision preservation. Across natural-image and medical segmentation benchmarks, and under corruption-based covariate shift, matched comparisons show that TI variants generally improve calibration metrics, while decision-preserving variants prevent segmentation degradation and retain strong calibration performance. These results provide practical design principles for well-defined post-hoc calibration pipelines in semantic segmentation.

Deep neural networks have demonstrated remarkable performance across numerous learning tasks but often suffer from miscalibration, resulting in unreliable probability outputs. This has inspired many recent works on mitigating miscalibration, particularly through post-hoc recalibration methods that aim to obtain calibrated probabilities without sacrificing the classification performance of pre-trained models. In this study, we summarize and categorize previous works into three general strategies: intuitively designed methods, binning-based methods, and methods based on formulations of ideal calibration. Through theoretical and practical analysis, we highlight ten common limitations in previous approaches. To address these limitations, we propose a probabilistic learning framework for calibration called h-calibration, which theoretically constructs an equivalent learning formulation for canonical calibration with boundedness. On this basis, we design a simple yet effective post-hoc calibration algorithm. Our method not only overcomes the ten identified limitations but also achieves markedly better performance than traditional methods, as validated by extensive experiments. We further analyze, both theoretically and experimentally, the relationship and advantages of our learning objective compared to traditional proper scoring rule. In summary, our probabilistic framework derives an approximately equivalent differentiable objective for learning error-bounded calibrated probabilities, elucidating the correspondence and convergence properties of computational statistics with respect to theoretical bounds in canonical calibration. The theoretical effectiveness is verified on standard post-hoc calibration benchmarks by achieving state-of-the-art performance. This research offers valuable reference for learning reliable likelihood in related fields.

Predicting not only the target but also an accurate measure of uncertainty is important for many machine learning applications and in particular safety-critical ones. In this work we study the calibration of uncertainty prediction for regression tasks which often arise in real-world systems. We show that the existing definition for calibration of a regression uncertainty [Kuleshov et al. 2018] has severe limitations in distinguishing informative from non-informative uncertainty predictions. We propose a new definition that escapes this caveat and an evaluation method using a simple histogram-based approach. Our method clusters examples with similar uncertainty prediction and compares the prediction with the empirical uncertainty on these examples. We also propose a simple, scaling-based calibration method that preforms as well as much more complex ones. We show results on both a synthetic, controlled problem and on the object detection bounding-box regression task using the COCO and KITTI datasets.

Current question-answering benchmarks predominantly focus on accuracy in realizable prediction tasks. Conditioned on a question and answer-key, does the most likely token match the ground truth? Such benchmarks necessarily fail to evaluate LLMs' ability to quantify ground-truth outcome uncertainty. In this work, we focus on the use of LLMs as risk scores for unrealizable prediction tasks. We introduce folktexts, a software package to systematically generate risk scores using LLMs, and evaluate them against US Census data products. A flexible API enables the use of different prompting schemes, local or web-hosted models, and diverse census columns that can be used to compose custom prediction tasks. We evaluate 17 recent LLMs across five proposed benchmark tasks. We find that zero-shot risk scores produced by multiple-choice question-answering have high predictive signal but are widely miscalibrated. Base models consistently overestimate outcome uncertainty, while instruction-tuned models underestimate uncertainty and produce over-confident risk scores. In fact, instruction-tuning polarizes answer distribution regardless of true underlying data uncertainty. This reveals a general inability of instruction-tuned LLMs to express data uncertainty using multiple-choice answers. A separate experiment using verbalized chat-style risk queries yields substantially improved calibration across instruction-tuned models. These differences in ability to quantify data uncertainty cannot be revealed in realizable settings, and highlight a blind-spot in the current evaluation ecosystem that folktexts covers.

We study the connection between multicalibration and boosting for squared error regression. First we prove a useful characterization of multicalibration in terms of a ``swap regret'' like condition on squared error. Using this characterization, we give an exceedingly simple algorithm that can be analyzed both as a boosting algorithm for regression and as a multicalibration algorithm for a class H that makes use only of a standard squared error regression oracle for H. We give a weak learning assumption on H that ensures convergence to Bayes optimality without the need to make any realizability assumptions -- giving us an agnostic boosting algorithm for regression. We then show that our weak learning assumption on H is both necessary and sufficient for multicalibration with respect to H to imply Bayes optimality. We also show that if H satisfies our weak learning condition relative to another class C then multicalibration with respect to H implies multicalibration with respect to C. Finally we investigate the empirical performance of our algorithm experimentally using an open source implementation that we make available. Our code repository can be found at https://github.com/Declancharrison/Level-Set-Boosting.

This paper presents a computationally feasible method to compute rigorous bounds on the interval-generalisation of regression analysis to account for epistemic uncertainty in the output variables. The new iterative method uses machine learning algorithms to fit an imprecise regression model to data that consist of intervals rather than point values. The method is based on a single-layer interval neural network which can be trained to produce an interval prediction. It seeks parameters for the optimal model that minimizes the mean squared error between the actual and predicted interval values of the dependent variable using a first-order gradient-based optimization and interval analysis computations to model the measurement imprecision of the data. An additional extension to a multi-layer neural network is also presented. We consider the explanatory variables to be precise point values, but the measured dependent values are characterized by interval bounds without any probabilistic information. The proposed iterative method estimates the lower and upper bounds of the expectation region, which is an envelope of all possible precise regression lines obtained by ordinary regression analysis based on any configuration of real-valued points from the respective y-intervals and their x-values.

Ensuring reliable confidence scores from deep neural networks is of paramount significance in critical decision-making systems, particularly in real-world domains such as healthcare. Recent literature on calibrating deep segmentation networks has resulted in substantial progress. Nevertheless, these approaches are strongly inspired by the advancements in classification tasks, and thus their uncertainty is usually modeled by leveraging the information of individual pixels, disregarding the local structure of the object of interest. Indeed, only the recent Spatially Varying Label Smoothing (SVLS) approach considers pixel spatial relationships across classes, by softening the pixel label assignments with a discrete spatial Gaussian kernel. In this work, we first present a constrained optimization perspective of SVLS and demonstrate that it enforces an implicit constraint on soft class proportions of surrounding pixels. Furthermore, our analysis shows that SVLS lacks a mechanism to balance the contribution of the constraint with the primary objective, potentially hindering the optimization process. Based on these observations, we propose NACL (Neighbor Aware CaLibration), a principled and simple solution based on equality constraints on the logit values, which enables to control explicitly both the enforced constraint and the weight of the penalty, offering more flexibility. Comprehensive experiments on a wide variety of well-known segmentation benchmarks demonstrate the superior calibration performance of the proposed approach, without affecting its discriminative power. Furthermore, ablation studies empirically show the model agnostic nature of our approach, which can be used to train a wide span of deep segmentation networks.

Constructing prediction sets with coverage guarantees for unobserved outcomes is a core problem in modern statistics. Methods for predictive inference have been developed for a wide range of settings, but usually only consider test data points one at a time. Here we study the problem of distribution-free predictive inference for a batch of multiple test points, aiming to construct prediction sets for functions -- such as the mean or median -- of any number of unobserved test datapoints. This setting includes constructing simultaneous prediction sets with a high probability of coverage, and selecting datapoints satisfying a specified condition while controlling the number of false claims. For the general task of predictive inference on a function of a batch of test points, we introduce a methodology called batch predictive inference (batch PI), and provide a distribution-free coverage guarantee under exchangeability of the calibration and test data. Batch PI requires the quantiles of a rank ordering function defined on certain subsets of ranks. While computing these quantiles is NP-hard in general, we show that it can be done efficiently in many cases of interest, most notably for batch score functions with a compositional structure -- which includes examples of interest such as the mean -- via a dynamic programming algorithm that we develop. Batch PI has advantages over naive approaches (such as partitioning the calibration data or directly extending conformal prediction) in many settings, as it can deliver informative prediction sets even using small calibration sample sizes. We illustrate that our procedures provide informative inference across the use cases mentioned above, through experiments on both simulated data and a drug-target interaction dataset.

Single-prompt accuracy is the dominant way to benchmark language models, but it can miss reliability failures that matter. We evaluate a 15-model open-weight corpus, with the main reliability analyses focused on 10 instruct models across five classification and reasoning benchmarks under five prompt variants each, measuring accuracy, token-probability calibration, verbal-confidence calibration, verbal parse rate, and prompt-perturbation spread for every (model x dataset x variant) cell. We find three broad results. First, evaluation design can materially change the conclusion. Switching Expected Calibration Error (ECE) token from a raw to a label-set-normalised definition changes per-cell calibration by a mean absolute 0.149. More strikingly, pairing a chain-of-thought prompt with a first-character evaluator on ARC-Challenge reduces apparent accuracy by 72-88% across all five primary models; two independent repair procedures recover 93.8% and 102.7% of the lost performance, indicating an evaluator-side rather than model-side failure. Second, confidence signals are fragile. On MMLU-Pro, every primary model verbally reports confidence substantially above both its accuracy and its token-probability confidence on the same rows, and verbal parse rate can collapse for a single model on a single prompt variant. Third, prompt robustness does not track parameter count reliably. Across 10 instruct models, the correlation between model size and prompt-perturbation spread ranges from -0.244 to 0.474 across benchmarks. Taken together, these results show that reliability conclusions for small language models depend not only on the model being evaluated, but also on the evaluation pipeline used to measure it. We argue that calibration definitions, evaluator logic, verbal parseability, and prompt robustness should be reported explicitly when making reliability claims.

When language models (LMs) are trained via reinforcement learning (RL) to generate natural language "reasoning chains", their performance improves on a variety of difficult question answering tasks. Today, almost all successful applications of RL for reasoning use binary reward functions that evaluate the correctness of LM outputs. Because such reward functions do not penalize guessing or low-confidence outputs, they often have the unintended side-effect of degrading calibration and increasing the rate at which LMs generate incorrect responses (or "hallucinate") in other problem domains. This paper describes RLCR (Reinforcement Learning with Calibration Rewards), an approach to training reasoning models that jointly improves accuracy and calibrated confidence estimation. During RLCR, LMs generate both predictions and numerical confidence estimates after reasoning. They are trained to optimize a reward function that augments a binary correctness score with a Brier score -- a scoring rule for confidence estimates that incentivizes calibrated prediction. We first prove that this reward function (or any analogous reward function that uses a bounded, proper scoring rule) yields models whose predictions are both accurate and well-calibrated. We next show that across diverse datasets, RLCR substantially improves calibration with no loss in accuracy, on both in-domain and out-of-domain evaluations -- outperforming both ordinary RL training and classifiers trained to assign post-hoc confidence scores. While ordinary RL hurts calibration, RLCR improves it. Finally, we demonstrate that verbalized confidence can be leveraged at test time to improve accuracy and calibration via confidence-weighted scaling methods. Our results show that explicitly optimizing for calibration can produce more generally reliable reasoning models.

Neural NLP models are often miscalibrated, assigning high confidence to incorrect predictions, which undermines selective prediction and high-stakes deployment. Post-hoc calibration methods adjust output probabilities but leave internal computation unchanged, while ensemble and Bayesian approaches improve uncertainty at substantial training or storage cost. We propose UAT-LITE, an inference-time framework that makes self-attention uncertainty-aware using approximate Bayesian inference via Monte Carlo dropout in pretrained transformer classifiers. Token-level epistemic uncertainty is estimated from stochastic forward passes and used to modulate self-attention during contextualization, without modifying pretrained weights or training objectives. We additionally introduce a layerwise variance decomposition to diagnose how predictive uncertainty accumulates across transformer depth. Across the SQuAD 2.0 answerability, MNLI, and SST-2, UAT-LITE reduces Expected Calibration Error by approximately 20% on average relative to a fine-tuned BERT-base baseline while preserving task accuracy, and improves selective prediction and robustness under distribution shift.

A critical component in the trustworthiness of LLMs is reliable uncertainty communication, yet LLMs often use assertive language when conveying false claims, leading to over-reliance and eroded trust. We present the first systematic study of faithful confidence calibration of LLMs, benchmarking models' ability to use linguistic expressions of uncertainty that faithfully reflect their intrinsic uncertainty, across a comprehensive array of models, datasets, and prompting strategies. Our results demonstrate that LLMs largely fail at this task, and that existing interventions are insufficient: standard prompt approaches provide only marginal gains, and existing, factuality-based calibration techniques can even harm faithful calibration. To address this critical gap, we introduce MetaFaith, a novel prompt-based calibration approach inspired by human metacognition. We show that MetaFaith robustly improves faithful calibration across diverse models and task domains, enabling up to 61% improvement in faithfulness and achieving an 83% win rate over original generations as judged by humans.

As machine learning (ML) enters high-stakes domains, trustworthy uncertainty quantification (UQ) is essential for safety. In this paper we introduce PCS-UQ, a framework based on the Predictability, Computability, and Stability (PCS) principles for veridical data science. Starting with a candidate set of models or algorithms, PCS-UQ integrates a rigorous prediction-check to screen out unsuitable models in the set and utilizes bootstrap samples, in order to capture both inter-sample variability and algorithmic instability for the prediction-checked algorithms. We then introduce a novel multiplicative calibration scheme to enhance local adaptivity, which basically corresponds to a new score in conformal prediction. Moreover, we produce a compilation of 17 real-world regression datasets with manually-constructed subgroups. On this benchmark, PCS-UQ maintains the target coverage while outperforming or matching conformal methods equipped with oracle-selected algorithms in interval width. PCS-UQ achieves consistent subgroup coverage, outperforming these oracle-selected conformal methods. Notably, PCS-UQ stands out in achieving both competitive interval widths and consistent subgroup coverage.Across 6 classification datasets, PCS-UQ reduces prediction set sizes by 20\%. To scale the framework for deep learning, we propose computationally efficient variants that bypass expensive retraining. On three computer vision benchmarks, these variants reduce prediction set sizes by 20\% over conformal baselines. Finally, we provide theoretical proof that a modified PCS-UQ algorithm preserves valid coverage under exchangeability as a form of split conformal inference.

As large language models (LLMs) are increasingly deployed in user-facing applications, building trust and maintaining safety by accurately quantifying a model's confidence in its prediction becomes even more important. However, finding effective ways to calibrate LLMs - especially when the only interface to the models is their generated text - remains a challenge. We propose APRICOT (auxiliary prediction of confidence targets): A method to set confidence targets and train an additional model that predicts an LLM's confidence based on its textual input and output alone. This approach has several advantages: It is conceptually simple, does not require access to the target model beyond its output, does not interfere with the language generation, and has a multitude of potential usages, for instance by verbalizing the predicted confidence or adjusting the given answer based on the confidence. We show how our approach performs competitively in terms of calibration error for white-box and black-box LLMs on closed-book question-answering to detect incorrect LLM answers.

Conformal prediction is often calibrated with a single pooled threshold, but this can hide cross-group heterogeneity in score distributions and distort group-wise coverage. We study this phenomenon through the population score distributions underlying split conformal calibration. First, we derive a conservation law and lower bound showing that pooled calibration incurs irreducible group-wise coverage distortion at a scale set by cross-group quantile heterogeneity. Second, we demonstrate that the two leading fairness definitions for conformal prediction, Equalized Coverage and Equalized Set Size, are fundamentally in tension. Third, we quantify the cost of moving between policies which treat groups separately or pool them. Experiments on synthetic and real data confirm the same bidirectional trade-off after finite-sample calibration. Our results show that, for the policy families studied here, calibration choice does not remove cross-group heterogeneity; it determines whether the resulting distortion appears in the coverage or size dimension, providing a principled lens for analyzing fairness-oriented calibration choices in practice.

Graphical User Interface (GUI) grounding aims to translate natural language instructions into executable screen coordinates, enabling automated GUI interaction. Nevertheless, incorrect grounding can result in costly, hard-to-reverse actions (e.g., erroneous payment approvals), raising concerns about model reliability. In this paper, we introduce SafeGround, an uncertainty-aware framework for GUI grounding models that enables risk-aware predictions through calibrations before testing. SafeGround leverages a distribution-aware uncertainty quantification method to capture the spatial dispersion of stochastic samples from outputs of any given model. Then, through the calibration process, SafeGround derives a test-time decision threshold with statistically guaranteed false discovery rate (FDR) control. We apply SafeGround on multiple GUI grounding models for the challenging ScreenSpot-Pro benchmark. Experimental results show that our uncertainty measure consistently outperforms existing baselines in distinguishing correct from incorrect predictions, while the calibrated threshold reliably enables rigorous risk control and potentials of substantial system-level accuracy improvements. Across multiple GUI grounding models, SafeGround improves system-level accuracy by up to 5.38% percentage points over Gemini-only inference.

With the advancement of deep learning technology, neural networks have demonstrated their excellent ability to provide accurate predictions in many tasks. However, a lack of consideration for neural network calibration will not gain trust from humans, even for high-accuracy models. In this regard, the gap between the confidence of the model's predictions and the actual correctness likelihood must be bridged to derive a well-calibrated model. In this paper, we introduce the Neural Clamping Toolkit, the first open-source framework designed to help developers employ state-of-the-art model-agnostic calibrated models. Furthermore, we provide animations and interactive sections in the demonstration to familiarize researchers with calibration in neural networks. A Colab tutorial on utilizing our toolkit is also introduced.

Large language models have made strong reasoning gains through supervised fine-tuning, reinforcement learning, and on-policy distillation, yet these post-training methods are usually evaluated only by final-answer accuracy. We study how they reshape confidence during reasoning. We introduce a three-stage calibration framework that evaluates confidence before, during, and after chain-of-thought generation, corresponding to difficulty estimation, early termination, and answer aggregation. Through a controlled comparison on mathematical reasoning benchmarks, we find that OPD provides the most useful pre-reasoning confidence, SFT gives the strongest online signal for early stopping, and RL produces the most reliable trace-level signal for aggregation. We further show that confidence reliability is position-dependent: RL confidence becomes informative after a path-commitment phase, while OPD confidence is useful early but can become inversely calibrated later. Based on this observation, we propose PosConf, a position-aware confidence strategy that uses confidence only from reliable relative-position intervals. PosConf improves RL answer aggregation by 6.1 points over majority voting and consistently improves OPD early stopping under tight token budgets, with gains up to 4.3 points by avoiding its later inverse-calibration region, showing that confidence in reasoning models should be used both stage-wise and position-awarely. Our code is available at https://github.com/EIT-NLP/Post-Training-Calibration.

Conformal prediction is a technique for constructing prediction intervals that attain valid coverage in finite samples, without making distributional assumptions. Despite this appeal, existing conformal methods can be unnecessarily conservative because they form intervals of constant or weakly varying length across the input space. In this paper we propose a new method that is fully adaptive to heteroscedasticity. It combines conformal prediction with classical quantile regression, inheriting the advantages of both. We establish a theoretical guarantee of valid coverage, supplemented by extensive experiments on popular regression datasets. We compare the efficiency of conformalized quantile regression to other conformal methods, showing that our method tends to produce shorter intervals.

Quantum computing calibration depends on interpreting experimental data, and calibration plots provide the most universal human-readable representation for this task, yet no systematic evaluation exists of how well vision-language models (VLMs) interpret them. We introduce QCalEval, the first VLM benchmark for quantum calibration plots: 243 samples across 87 scenario types from 22 experiment families, spanning superconducting qubits and neutral atoms, evaluated on six question types in both zero-shot and in-context learning settings. The best general-purpose zero-shot model reaches a mean score of 72.3, and many open-weight models degrade under multi-image in-context learning, whereas frontier closed models improve substantially. A supervised fine-tuning ablation at the 9-billion-parameter scale shows that SFT improves zero-shot performance but cannot close the multimodal in-context learning gap. As a reference case study, we release NVIDIA Ising Calibration 1, an open-weight model based on Qwen3.5-35B-A3B that reaches 74.7 zero-shot average score.

Calibration, the alignment of predicted probabilities with true outcome frequencies, is essential for reliable decision-making. While extensively studied for classification and regression, calibration has not been formally addressed for probabilistic label ranking, where the goal is to predict a distribution over orderings of a label set. Naively treating rankings as classes ignores their structure and fails to capture important modalities such as pairwise and top-k predictions. We formalize calibration for label ranking and develop a hierarchy of notions covering full rankings, sub-rankings, and top-k rankings. We prove that full-rank calibration implies the others but not conversely, and sub-ranking and top-k calibration are incomparable. Empirically, we find popular label ranking models are often poorly calibrated, with substantial differences between sub-ranking and top-k metrics. Applying our framework to RLHF reward models, we find that calibration correlates strongly but not perfectly with benchmark accuracy, suggesting it captures a meaningful quality dimension beyond top-1 accuracy. These findings motivate future work on understanding the downstream effects of miscalibration and developing methods to correct it.

Deep neural networks are increasingly utilized in various machine learning tasks. However, as these models grow in complexity, they often face calibration issues, despite enhanced prediction accuracy. Many studies have endeavored to improve calibration performance through the use of specific loss functions, data preprocessing and training frameworks. Yet, investigations into calibration properties have been somewhat overlooked. Our study leverages the Neural Architecture Search (NAS) search space, offering an exhaustive model architecture space for thorough calibration properties exploration. We specifically create a model calibration dataset. This dataset evaluates 90 bin-based and 12 additional calibration measurements across 117,702 unique neural networks within the widely employed NATS-Bench search space. Our analysis aims to answer several longstanding questions in the field, using our proposed dataset: (i) Can model calibration be generalized across different datasets? (ii) Can robustness be used as a calibration measurement? (iii) How reliable are calibration metrics? (iv) Does a post-hoc calibration method affect all models uniformly? (v) How does calibration interact with accuracy? (vi) What is the impact of bin size on calibration measurement? (vii) Which architectural designs are beneficial for calibration? Additionally, our study bridges an existing gap by exploring calibration within NAS. By providing this dataset, we enable further research into NAS calibration. As far as we are aware, our research represents the first large-scale investigation into calibration properties and the premier study of calibration issues within NAS. The project page can be found at https://www.taolinwei.com/calibration-study

Datasets scraped from the internet have been critical to the successes of large-scale machine learning. Yet, this very success puts the utility of future internet-derived datasets at potential risk, as model outputs begin to replace human annotations as a source of supervision. In this work, we first formalize a system where interactions with one model are recorded as history and scraped as training data in the future. We then analyze its stability over time by tracking changes to a test-time bias statistic (e.g. gender bias of model predictions). We find that the degree of bias amplification is closely linked to whether the model's outputs behave like samples from the training distribution, a behavior which we characterize and define as consistent calibration. Experiments in three conditional prediction scenarios - image classification, visual role-labeling, and language generation - demonstrate that models that exhibit a sampling-like behavior are more calibrated and thus more stable. Based on this insight, we propose an intervention to help calibrate and stabilize unstable feedback systems. Code is available at https://github.com/rtaori/data_feedback.

The correct use of model evaluation, model selection, and algorithm selection techniques is vital in academic machine learning research as well as in many industrial settings. This article reviews different techniques that can be used for each of these three subtasks and discusses the main advantages and disadvantages of each technique with references to theoretical and empirical studies. Further, recommendations are given to encourage best yet feasible practices in research and applications of machine learning. Common methods such as the holdout method for model evaluation and selection are covered, which are not recommended when working with small datasets. Different flavors of the bootstrap technique are introduced for estimating the uncertainty of performance estimates, as an alternative to confidence intervals via normal approximation if bootstrapping is computationally feasible. Common cross-validation techniques such as leave-one-out cross-validation and k-fold cross-validation are reviewed, the bias-variance trade-off for choosing k is discussed, and practical tips for the optimal choice of k are given based on empirical evidence. Different statistical tests for algorithm comparisons are presented, and strategies for dealing with multiple comparisons such as omnibus tests and multiple-comparison corrections are discussed. Finally, alternative methods for algorithm selection, such as the combined F-test 5x2 cross-validation and nested cross-validation, are recommended for comparing machine learning algorithms when datasets are small.

On-policy distillation (OPD) is an increasingly important paradigm for post-training language models. However, we identify a pervasive Scaling Law of Miscalibration: while OPD effectively improves task accuracy, it systematically traps models in severe overconfidence. We trace this failure to an information mismatch: teacher supervision is formed under privileged context available during training, whereas the deployed model must report confidence using only deployment-time information. We formalize this perspective theoretically, showing that teacher-conditioned success is generally not a valid target for deployment-time confidence and that helpful privileged context induces entropy collapse and a systematic optimism bias. To address this, we propose a calibration-aware OPD framework, CaOPD, that estimates empirical confidence from model rollouts, replaces self-reported confidence with this student-grounded target, and distills the revised response through the same self-distillation pipeline. Experiments across various models and domains show that CaOPD achieves Pareto-optimal calibration while maintaining competitive capability, generalizing robustly under out-of-distribution and continual learning. Our findings highlight that capability distillation does not imply calibrated confidence, and that confidence should be treated as an essential objective in post-training. Code: https://github.com/SalesforceAIResearch/CaOPD

Large Language Models (LLMs) can produce surprisingly sophisticated estimates of their own uncertainty. However, it remains unclear to what extent this expressed confidence is tied to the reasoning, knowledge, or decision making of the model. To test this, we introduce RiskEval: a framework designed to evaluate whether models adjust their abstention policies in response to varying error penalties. Our evaluation of several frontier models reveals a critical dissociation: models are neither cost-aware when articulating their verbal confidence, nor strategically responsive when deciding whether to engage or abstain under high-penalty conditions. Even when extreme penalties render frequent abstention the mathematically optimal strategy, models almost never abstain, resulting in utility collapse. This indicates that calibrated verbal confidence scores may not be sufficient to create trustworthy and interpretable AI systems, as current models lack the strategic agency to convert uncertainty signals into optimal and risk-sensitive decisions.

Contrastively trained encoders have recently been proven to invert the data-generating process: they encode each input, e.g., an image, into the true latent vector that generated the image (Zimmermann et al., 2021). However, real-world observations often have inherent ambiguities. For instance, images may be blurred or only show a 2D view of a 3D object, so multiple latents could have generated them. This makes the true posterior for the latent vector probabilistic with heteroscedastic uncertainty. In this setup, we extend the common InfoNCE objective and encoders to predict latent distributions instead of points. We prove that these distributions recover the correct posteriors of the data-generating process, including its level of aleatoric uncertainty, up to a rotation of the latent space. In addition to providing calibrated uncertainty estimates, these posteriors allow the computation of credible intervals in image retrieval. They comprise images with the same latent as a given query, subject to its uncertainty. Code is available at https://github.com/mkirchhof/Probabilistic_Contrastive_Learning

Multimodal machine learning has achieved remarkable progress in a wide range of scenarios. However, the reliability of multimodal learning remains largely unexplored. In this paper, through extensive empirical studies, we identify current multimodal classification methods suffer from unreliable predictive confidence that tend to rely on partial modalities when estimating confidence. Specifically, we find that the confidence estimated by current models could even increase when some modalities are corrupted. To address the issue, we introduce an intuitive principle for multimodal learning, i.e., the confidence should not increase when one modality is removed. Accordingly, we propose a novel regularization technique, i.e., Calibrating Multimodal Learning (CML) regularization, to calibrate the predictive confidence of previous methods. This technique could be flexibly equipped by existing models and improve the performance in terms of confidence calibration, classification accuracy, and model robustness.

Large Language Models (LLMs) are widely used as automated judges, where practical value depends on both accuracy and trustworthy, risk-aware judgments. Existing approaches predominantly focus on accuracy, overlooking the necessity of well-calibrated confidence, which is vital for adaptive and reliable evaluation pipelines. In this work, we advocate a shift from accuracy-centric evaluation to confidence-driven, risk-aware LLM-as-a-Judge systems, emphasizing the necessity of well-calibrated confidence for trustworthy and adaptive evaluation. We systematically identify the Overconfidence Phenomenon in current LLM-as-a-Judges, where predicted confidence significantly overstates actual correctness, undermining reliability in practical deployment. To quantify this phenomenon, we introduce TH-Score, a novel metric measuring confidence-accuracy alignment. Furthermore, we propose LLM-as-a-Fuser, an ensemble framework that transforms LLMs into reliable, risk-aware evaluators. Extensive experiments demonstrate that our approach substantially improves calibration and enables adaptive, confidence-driven evaluation pipelines, achieving superior reliability and accuracy compared to existing baselines.

This paper presents a new approach for assessing uncertainty in machine translation by simultaneously evaluating translation quality and providing a reliable confidence score. Our approach utilizes conformal predictive distributions to produce prediction intervals with guaranteed coverage, meaning that for any given significance level epsilon, we can expect the true quality score of a translation to fall out of the interval at a rate of 1-epsilon. In this paper, we demonstrate how our method outperforms a simple, but effective baseline on six different language pairs in terms of coverage and sharpness. Furthermore, we validate that our approach requires the data exchangeability assumption to hold for optimal performance.

Sequential trial emulation (STE) estimates the effect of a sustained treatment by stacking nested emulated trials with inverse-probability weighting. Additive-hazards STE estimators of the marginal risk difference recommend the nonparametric bootstrap without evaluating its coverage. Using a correctly-specifiable mechanism (up to a small, disclosed residual), we compare analytic and bootstrap standard errors for both estimands. Exploiting the closed-form linearity of the additive-hazards estimating equation, we derive the influence functions and prove the default row-level robust variance inconsistent for the marginal risk-difference curve, and show the same failure empirically for the constant hazard difference: the row-level variance omits a within-subject cross-trial covariance that is positive under a sign condition we verify across our mechanisms, and is anticonservative at every horizon except the first - only there, where the covariance is zero, is the row-level standard error unimpaired. The subject-clustered variance and multiplier bootstrap are consistent for the fixed-weight linearisation and support simultaneous confidence bands, whose measured coverage is 0.88. Across our simulations the model-based and row-level robust intervals are anticonservative and worsen with sample size, coverage falling to 0.71 at n=5000; clustering leaves the constant-hazard-difference coverage near 0.86 at n=5000, and the multiplier bootstrap leaves the risk-difference-curve coverage near 0.90 (0.86 at the longest horizon). The STE constant hazard difference is a design-weighted summary of a time-varying effect, dependent on the trial structure. We illustrate on the Stanford heart transplant data and provide them in the steCI R package.

Uncertainty quantification (UQ) is vital for trustworthy deep learning, yet existing methods are either computationally intensive, such as Bayesian or ensemble methods, or provide only partial, task-specific estimates, such as single-forward-pass techniques. In this paper, we propose a post-hoc single-forward-pass framework that jointly captures aleatoric and epistemic uncertainty without modifying or retraining pretrained models. Our method applies Split-Point Analysis (SPA) to decompose predictive residuals into upper and lower subsets, computing Mean Absolute Residuals (MARs) on each side. We prove that, under ideal conditions, the total MAR equals the harmonic mean of subset MARs; deviations define a novel Self-consistency Discrepancy Score (SDS) for fine-grained epistemic estimation across regression and classification. For regression, side-specific quantile regression yields prediction intervals with improved empirical coverage, which are further calibrated via SDS. For classification, when calibration data are available, we apply SPA-based calibration identities to adjust the softmax outputs and then compute predictive entropy on these calibrated probabilities. Extensive experiments on diverse regression and classification benchmarks demonstrate that our framework matches or exceeds several state-of-the-art UQ methods while incurring minimal overhead. Our source code is available at https://github.com/zzz0527/SPC-UQ.

Recent machine learning papers often report 1-2 percentage point improvements from a single run on a benchmark. These gains are highly sensitive to random seeds, data ordering, and implementation details, yet are rarely accompanied by uncertainty estimates or significance tests. It is therefore unclear when a reported +1-2% reflects a real algorithmic advance versus noise. We revisit this problem under realistic compute budgets, where only a few runs are affordable. We propose a simple, PC-friendly evaluation protocol based on paired multi-seed runs, bias-corrected and accelerated (BCa) bootstrap confidence intervals, and a sign-flip permutation test on per-seed deltas. The protocol is intentionally conservative and is meant as a guardrail against over-claiming. We instantiate it on CIFAR-10, CIFAR-10N, and AG News using synthetic no-improvement, small-gain, and medium-gain scenarios. Single runs and unpaired t-tests often suggest significant gains for 0.6-2.0 point improvements, especially on text. With only three seeds, our paired protocol never declares significance in these settings. We argue that such conservative evaluation is a safer default for small gains under tight budgets.

This paper derives confidence intervals (CI) and time-uniform confidence sequences (CS) for the classical problem of estimating an unknown mean from bounded observations. We present a general approach for deriving concentration bounds, that can be seen as a generalization and improvement of the celebrated Chernoff method. At its heart, it is based on a class of composite nonnegative martingales, with strong connections to testing by betting and the method of mixtures. We show how to extend these ideas to sampling without replacement, another heavily studied problem. In all cases, our bounds are adaptive to the unknown variance, and empirically vastly outperform existing approaches based on Hoeffding or empirical Bernstein inequalities and their recent supermartingale generalizations. In short, we establish a new state-of-the-art for four fundamental problems: CSs and CIs for bounded means, when sampling with and without replacement.

As AI-based code generation becomes widespread, researchers are investigating the calibration of code LLMs - ensuring their confidence scores faithfully represent the true likelihood of code correctness. To do so, we investigate multicalibration, which can capture additional factors about a coding problem, such as complexity, code length, or programming language used. We study four multicalibration approaches on three function synthesis benchmarks, using latest-generation code LLMs (Qwen3 Coder, GPT-OSS, DeepSeek-R1-Distill). Our results demonstrate that multicalibration can yield distinct improvements over both uncalibrated token likelihoods (+1.03 in skill score) and baseline calibrations (+0.37 in skill score). We study the influence of the aforementioned factors in ablations, and make our dataset (consisting of code generations, likelihoods, and correctness labels) available for future research on code LLM calibration.

Accurate probabilistic predictions are essential for optimal decision making. While neural network miscalibration has been studied primarily in classification, we investigate this in the less-explored domain of regression. We conduct the largest empirical study to date to assess the probabilistic calibration of neural networks. We also analyze the performance of recalibration, conformal, and regularization methods to enhance probabilistic calibration. Additionally, we introduce novel differentiable recalibration and regularization methods, uncovering new insights into their effectiveness. Our findings reveal that regularization methods offer a favorable tradeoff between calibration and sharpness. Post-hoc methods exhibit superior probabilistic calibration, which we attribute to the finite-sample coverage guarantee of conformal prediction. Furthermore, we demonstrate that quantile recalibration can be considered as a specific case of conformal prediction. Our study is fully reproducible and implemented in a common code base for fair comparisons.

The vulnerability of machine learning models to membership inference attacks has received much attention in recent years. However, existing attacks mostly remain impractical due to having high false positive rates, where non-member samples are often erroneously predicted as members. This type of error makes the predicted membership signal unreliable, especially since most samples are non-members in real world applications. In this work, we argue that membership inference attacks can benefit drastically from difficulty calibration, where an attack's predicted membership score is adjusted to the difficulty of correctly classifying the target sample. We show that difficulty calibration can significantly reduce the false positive rate of a variety of existing attacks without a loss in accuracy.

Large language models (LLMs) are increasingly applied to structured clinical data, yet whether they can recognize the limits of their own knowledge on such tasks remains unexplored. We study this question through the lens of cross-model attribution divergence with the goal of reducing epistemic uncertainty for structured tasks, comparing Qwen 2.5 7B and XGBoost on a prediction task via attribution divergence analysis. We report four findings. First, LLM verbalized confidence is epistemically vacuous, it outputs a near-constant (0.856-0.937) regardless of whether accuracy is 49% or 75.3%, tracking prompt format rather than prediction quality. Second, the LLM exhibits an inverse difficulty effect: accuracy drops to 64.8% when XGBoost is 99% correct, but matches XGBoost (73.8% vs. 73.1%) when it is moderately uncertain. Third, few-shot examples and SHAP-derived feature evidence are orthogonal, super-additive interventions: they reduce the Attribution Disagreement Score (ADS) from 1.54 to 0.38 and improve accuracy from 49% to 75.3% without training. Fourth, a cross-model calibrator that determined LLM reliability using attribution divergence signals reduces expected calibration error from 0.254 to 0.080, replacing uninformative verbalized confidence with patient-specific reliability estimates, without accessing model internals or requiring repeated inference. We frame these findings as a cold start problem for LLMs on structured data and outline a path toward genuine epistemic self-awareness.

Real-world machine learning deployments are characterized by mismatches between the source (training) and target (test) distributions that may cause performance drops. In this work, we investigate methods for predicting the target domain accuracy using only labeled source data and unlabeled target data. We propose Average Thresholded Confidence (ATC), a practical method that learns a threshold on the model's confidence, predicting accuracy as the fraction of unlabeled examples for which model confidence exceeds that threshold. ATC outperforms previous methods across several model architectures, types of distribution shifts (e.g., due to synthetic corruptions, dataset reproduction, or novel subpopulations), and datasets (Wilds, ImageNet, Breeds, CIFAR, and MNIST). In our experiments, ATC estimates target performance 2-4times more accurately than prior methods. We also explore the theoretical foundations of the problem, proving that, in general, identifying the accuracy is just as hard as identifying the optimal predictor and thus, the efficacy of any method rests upon (perhaps unstated) assumptions on the nature of the shift. Finally, analyzing our method on some toy distributions, we provide insights concerning when it works. Code is available at https://github.com/saurabhgarg1996/ATC_code/.

Accurately assessing model confidence is essential for deploying large language models (LLMs) in mission-critical factual domains. While retrieval-augmented generation (RAG) is widely adopted to improve grounding, confidence calibration in RAG settings remains poorly understood. We conduct a systematic study across four benchmarks, revealing that LLMs exhibit poor calibration performance due to noisy retrieved contexts. Specifically, contradictory or irrelevant evidence tends to inflate the model's false certainty, leading to severe overconfidence. To address this, we propose NAACL Rules (Noise-AwAre Confidence CaLibration Rules) to provide a principled foundation for resolving overconfidence under noise. We further design NAACL, a noise-aware calibration framework that synthesizes supervision from about 2K HotpotQA examples guided by these rules. By performing supervised fine-tuning (SFT) with this data, NAACL equips models with intrinsic noise awareness without relying on stronger teacher models. Empirical results show that NAACL yields substantial gains, improving ECE scores by 10.9% in-domain and 8.0% out-of-domain. By bridging the gap between retrieval noise and verbal calibration, NAACL paves the way for both accurate and epistemically reliable LLMs.

Generating accurate and calibrated confidence estimates is critical for deploying LLMs in high-stakes or user-facing applications, and remains an open challenge. Prior research has often framed confidence as a problem of eliciting a model's "self-knowledge", i.e., the ability of an LLM to judge whether its own answers are correct; this approach implicitly assumes that there is some privileged information about the answer's correctness that is accessible to the model itself. However, our experiments reveal that an LLM attempting to predict the correctness of its own outputs generally performs no better than an unrelated LLM. Moreover, we hypothesize that a key factor in building a "Correctness Model" (CM) is exposure to a target model's historical predictions. We propose multiple methods to inject this historical correctness information, creating a Generalized Correctness Model (GCM). We first show that GCMs can be trained on the correctness data from many LLMs and learn patterns for correctness prediction applicable across datasets and models. We then use CMs as a lens for studying the source of correctness prediction ability and its generalization, systematically controlling their training data and finding that answer phrasing is a strong predictor for correctness. We further explore alternative methods of injecting history without training an LLM, finding that including history as in-context examples can help improve correctness prediction, and post-hoc calibration can provide complementary reductions in calibration error. We evaluate GCMs based on Qwen3-8B across 5 model families and the MMLU and TriviaQA datasets, as well as on a downstream selective prediction task, finding that reliable LLM confidence estimation is a generalizable and model-agnostic skill learned by systematically encoding correctness history rather than a model-specific skill reliant on self-introspection.

Summarization models often generate text that is poorly calibrated to quality metrics because they are trained to maximize the likelihood of a single reference (MLE). To address this, recent work has added a calibration step, which exposes a model to its own ranked outputs to improve relevance or, in a separate line of work, contrasts positive and negative sets to improve faithfulness. While effective, much of this work has focused on how to generate and optimize these sets. Less is known about why one setup is more effective than another. In this work, we uncover the underlying characteristics of effective sets. For each training instance, we form a large, diverse pool of candidates and systematically vary the subsets used for calibration fine-tuning. Each selection strategy targets distinct aspects of the sets, such as lexical diversity or the size of the gap between positive and negatives. On three diverse scientific long-form summarization datasets (spanning biomedical, clinical, and chemical domains), we find, among others, that faithfulness calibration is optimal when the negative sets are extractive and more likely to be generated, whereas for relevance calibration, the metric margin between candidates should be maximized and surprise--the disagreement between model and metric defined candidate rankings--minimized. Code to create, select, and optimize calibration sets is available at https://github.com/griff4692/calibrating-summaries

Video world models approximate the stochastic distribution of physical outcomes through generative sampling, but existing benchmarks score individual generations or compare distributions coarsely over a whole dataset, leaving the fine-grained aleatoric uncertainty of specific phenomena untested. We introduce CaliBench, which scores outcomes in a physically interpretable discrete space - a bin index, a die face, a suit, a colour - rather than a learned feature space such as in FID, so the distance from a known reference distribution is measured directly. We curate outcome spaces whose reference is known in closed form (binomial Galton boards, Bernoulli forks, uniform dice/cards/lottery, a skewed European-roulette colour), enabling an exact calibration test. We decompose performance into two orthogonal axes that a single accuracy metric conflates: scorability, the fraction of generations yielding a scoreable outcome, and calibration, the total variation distance from the reference on that sample. A chi-squared test assesses significance; as calibration is its null hypothesis it can evidence only miscalibration, and at N=32 per cell detects only large deviations. We apply it to nine scenes and six image-to-video models (WAN-2.7, SeeDance-2.0, HappyHorse-1.0, Veo 3.1, Runway Gen-4.5, Cosmos3-Super), 32 generations each. Models consistently concentrate probability mass on a few outcomes rather than reproducing the reference. Most scene-model combinations are significantly miscalibrated, in the extreme collapsing to one outcome, as Veo 3.1 does on dice. On roulette, generations often leave the ball ambiguously placed, giving several models low scorability. Performance varies by scene: no model dominates all nine. We release the protocol and a metric (mean normalised total variation, mnTV) for comparing new models against our results.

Large language models (LLMs) tend to verbalize confidence scores that are largely detached from their actual accuracy, yet the geometric relationship governing this behavior remain poorly understood. In this work, we present a mechanistic interpretability analysis of verbalized confidence, using linear probes and contrastive activation addition (CAA) steering to show that calibration and verbalized confidence signals are encoded linearly but are orthogonal to one another -- a finding consistent across three open-weight models and four datasets. Interestingly, when models are prompted to simultaneously reason through a problem and verbalize a confidence score, the reasoning process disrupts the verbalized confidence direction, exacerbating miscalibration. We term this the "Reasoning Contamination Effect." Leveraging this insight, we introduce a two-stage adaptive steering pipeline that reads the model's internal accuracy estimate and steers verbalized output to match it, substantially improving calibration alignment across all evaluated models.

Obtaining high-quality labels is costly, whereas unlabeled covariates are often abundant, motivating semi-supervised inference methods with reliable uncertainty quantification. Prediction-powered inference (PPI) leverages a machine-learning predictor trained on a small labeled sample to improve efficiency, but it can lose efficiency under model misspecification and suffer from coverage distortions due to label reuse. We introduce Machine-Learning-Assisted Generalized Entropy Calibration (MEC), a cross-fitted, calibration-weighted variant of PPI. MEC improves efficiency by reweighting labeled samples to better align with the target population, using a principled calibration framework based on Bregman projections. This yields robustness to affine transformations of the predictor and relaxes requirements for validity by replacing conditions on raw prediction error with weaker projection-error conditions. As a result, MEC attains the semiparametric efficiency bound under weaker assumptions than existing PPI variants. Across simulations and a real-data application, MEC achieves near-nominal coverage and tighter confidence intervals than CF-PPI and vanilla PPI.

Large Language Models (LLMs) that can express interpretable and calibrated uncertainty are crucial in high-stakes domains. While methods to compute uncertainty post-hoc exist, they are often sampling-based and therefore computationally expensive or lack calibration. We propose a three-stage pipeline to post-train LLMs to efficiently infer calibrated uncertainty estimates for their responses. First, we compute fine-grained entropy-based uncertainty scores on the training data, capturing the distributional variability of model outputs in embedding space. Second, these scores are calibrated via Platt scaling, producing reliable and human-interpretable uncertainty signals. Finally, the target LLM is post-trained via reinforcement learning to align its policy with these calibrated signals through a verifiable reward function. Unlike post-hoc uncertainty estimation methods, our approach provides interpretable and computationally efficient uncertainty estimates at test time. Experiments show that models trained with our pipeline achieve better calibration than baselines and generalize to unseen tasks without further processing, suggesting that they learn a robust uncertainty reasoning behavior.

Recent progress in large language models (LLMs) has enabled them to express their confidence in natural language, enhancing transparency and reliability. However, their confidence often exhibits overconfidence, the cause of which remains poorly understood. In this work, we conduct a detailed analysis of the dynamics underlying verbalized confidence and identify answer-independence as a key factor, defined as the model's failure to condition confidence on its own answer. To address this, we propose ADVICE (Answer-Dependent Verbalized Confidence Estimation), a fine-tuning framework that facilitates answer-grounded confidence estimation. Extensive experiments show that ADVICE substantially improves confidence calibration while preserving task performance. Further analyses confirm that ADVICE strengthens answer-groundedness, leading to more balanced and well-calibrated confidence distributions. Our findings shed light on the origin of overconfidence and establish a framework for more trustworthy confidence verbalization.

As LLM benchmarks saturate, the evaluation community has pursued two strategies to increase difficulty: escalating knowledge demands (GPQA, HLE) or removing knowledge entirely in favor of abstract reasoning (ARC-AGI). The first conflates memorization with capability; the second divorces reasoning from the practical contexts in which it matters. We take a different approach. The Grounded Integration Measure (GIM) is a benchmark of 820 original problems (615 public, 205 private) where difficulty comes from integration; individual problems require coordinating multiple cognitive operations (constraint satisfaction, state tracking, epistemic vigilance, audience calibration) over broadly accessible knowledge, so that reasoning stays grounded in realistic tasks without being gated on specialized expertise. Each problem is an original expert-authored composition, majority with rubric-decomposed scoring (median 6 independently judged criteria). A balanced public--private split provides built-in contamination diagnostic. We calibrate a continuous response 2-parameter logistic (2PL) IRT model over >200k prompt-response pairs across 28 models, producing robust ability estimates that correctly order test-configurations even when raw accuracy is distorted by errors or missing data, addressing a common challenge in benchmark reporting. Using this framework, we present a comprehensive leaderboard spanning 22 models and 47 test-configurations (unique model, thinking-level pairs), and conduct what is to our knowledge the most extensive published study of how test-time compute trades off against model capability on a fixed benchmark: 11 models swept across 35 test-configurations. We observe that within-family configuration choices, such as thinking budget and quantization, matter as much as model selection. We release the evaluation framework, calibrated IRT parameters, and all public problems.

Semi-supervised semantic segmentation has long turned on one question, which pseudo-labels to trust, and a generation of selection rules, dynamic thresholds, per-class curricula, soft confidence weights, answered it for the noisy, under-confident ResNet teachers of their day. Self-supervised foundation encoders change the regime: with a DINOv2 teacher, confidence saturates, so the filtering that helped a weak teacher can hurt a strong one. We propose CW-BASS v2, a saturation-aware pseudo-label selection method that reads the teacher's confidence regime rather than committing to one rule. It pairs held-out calibration, an unbiased per-class noise estimate, with a self-adaptive confidence floor that provably bounds retention away from 1, and combines them in a one-pass gate: measure the reliability of the teacher's confident set, pi_kept = Pr[correct | c >= tau], on a held-out slice, and filter strictly when it meets the confidence demanded (pi_kept >= tau), falling back to the adaptive floor otherwise. The boundary is the pre-existing operating threshold, not a value tuned to mIoU, and across six DINOv2 teachers it makes the correct strict-vs-floor call blind. CW-BASS v2 thus recovers the UniMatch V2 operating point on the saturated benchmarks by selecting strict (Pascal VOC 1/8 87.4 against its reported 87.9; Cityscapes within 0.5), and improves on it where the confident set is unreliable (pi_kept ~ 89%, ADE20K), where the floor edges ahead (+1.5 mIoU, single seed). The gate is principled because the failure it avoids is measured, not assumed: on a reliable, saturated teacher the confidence distribution's dynamic range collapses (98% of Pascal pixels >= 0.95), so an adaptive cutoff floods the retention mask and self-training decays into confirmation bias.