Model Calibration

Physics models are inherently imperfect due to misspecified or missing mechanisms, resulting in systematic discrepancies between model predictions and real-world observations. The Kennedy-O'Hagan (KOH) framework addresses this issue through explicit discrepancy modeling. However, its non-amortized, per-instance formulation limits scalability across families of related systems. We introduce Amortized Physics-Informed Calibration (APIC), a population-level extension of KOH that leverages Neural Processes to perform scalable Bayesian inference across realizations. Our framework employs a two-branch latent architecture to disentangle instance-specific physical parameters from shared, state-dependent structural discrepancies. By integrating differentiable physics into an amortized inference backbone, APIC enables rapid calibration of unseen realizations from sparse observations while quantifying uncertainty. Experiments on the damped spring oscillator, the Lotka-Volterra system, and the advection-diffusion PDE with misspecified physics demonstrate improved parameter recovery and consistent identification of the systemic discrepancy structure compared to other calibration approaches.

Post-training pruning compresses large language models to high sparsity using a small unlabelled calibration set, and recent work has concluded that the choice of calibration source has only modest impact on averaged post-pruning accuracy. We ask whether this conclusion survives once calibration impact is evaluated separately across distinct capability dimensions rather than aggregated. Decomposing post-pruning capability into General, Commonsense, Code, and Math, and analysing $n{=}15$ calibration sources via Spearman correlations between OIT information metrics and per-dimension retention, we uncover an opposite-sign trade-off: calibration perplexity correlates positively with General retention ($ρ{=}{+}0.71$) but negatively with Math and Code retention ($ρ{=}{-}0.53,\,{-}0.59$; $p{<}0.05$), so no single source can preserve all capabilities. We respond with multi-source calibration mixing, and propose IGSP, an information-guided self-calibration protocol that automates multi-source construction without capability-aligned corpora by minimising 4-gram aggregation and balancing perplexity across dimensions. On LLaMA-3.1-8B at SparseGPT 60% sparsity, a uniform multi-source mix reaches 58.8% total retention, outperforming the best single source (MetaMath, 50.0%) by $+8.8$ and the C4 default (40.0%) by $+18.8$; IGSP improves over Self-Cal by $+2.4$ and SGS by $+4.8$.

Concepts of calibration formalize the compatibility between probabilistic predictions and the respective outcomes. In a nutshell, the outcomes ought to be indistinguishable from random draws from the predictive distributions. In this paper, we review, extend, and bridge notions of calibration that have been proposed for classification and regression tasks. Particular emphasis is given to hierarchical relations between the various notions, as they apply to general real-valued data, continuous outcomes, count data, nominal classes, and binary outcomes. To highlight a number of contributions, we introduce the notion of modal calibration for nominal outcomes, we distinguish full, partial, and average calibration in this setting, and we show that double probability integral transform (PIT) calibration is logically independent of previously proposed concepts of calibration for discrete outcomes. Furthermore, we generalize extant results on concepts of calibration that are expressed in terms of properties or functionals of the predictive distributions, such as means, quantiles, or event probabilities. Throughout the paper, we illustrate the concepts and their hierarchical relations in worked examples, and we provide algorithmic tools that support the construction of instructive examples and counterexamples.

Persistent maps used by autonomous robots increasingly fuse a geometric perception stack whose assertions are well-characterized with a foundation-model channel that produces semantic claims without calibrated reliability about the same scene. Contemporary mapping systems integrate the two channels by treating the foundation-model channel as an additional voter into a per-element posterior, uncalibrated for its own per-class reliability and without machinery to flag when the two channels contradict each other at a given moment. We propose an update operator with two cooperating mechanisms: a per-class calibrated commit gate, and a per-event conflict-drop window that refuses to commit foundation-model claims contradicted by the geometric channel at the moment of the claim. We evaluate on KITTI-360 and ScanNet, with an oracle geometric channel (panoptic ground truth) and an off-the-shelf online semantic segmenter (Mask2Former) to demonstrate real-world performance. The operator produces substantially more accurate committed maps (KITTI is car commit precision 99.7% vs. 43.9% for the calibration-only operator; mean per-class IoU 0.522 vs. 0.180), retains more compositional true positives at higher precision than a monolithic compositional VLM prompt. The framework operates at deployment quality across both oracle and off-the-shelf-segmenter geometric channels, and is invariant under foundation-model substitution.

Seasonal climate predictions support planning and risk management by offering early information of the most likely-to-occur climate conditions in the coming months, and associated uncertainties. Ensemble forecasts enable this by simulating many plausible outcomes, allowing predictions to be expressed as usable probabilities. Large ensembles and high-resolution forecasts strengthen this guidance by better sampling uncertainty and capturing finer-scale processes but come with significant computational cost. Moreover, forecast ensembles drift and exhibit systematic biases and spatio-temporal errors that grow with lead time, requiring careful post-processing and calibration. A probabilistic post-processing framework based on conditional Variational Autoencoders (cVAEs) was developed at the Canadian Center for Climate Modeling and Analysis to generate large ensembles of bias adjusted seasonal predictions of Arctic sea ice. The generative model was designed to learn the observational distribution conditioned on the biased model prediction. This enables generation of arbitrarily large ensembles of well-calibrated, bias corrected forecasts with improved skill. Here, we extend this framework to address the loss of fine-scale energy and the characteristic blurriness in predictions, a known limitation of standard cVAEs. Specifically, we employ a generator in place of the Gaussian parametrized decoder in the cVAE and use Continuous Ranked Probability Score in the objective function instead of the Mean Square Error. We further use a higher resolution target dataset compared to the raw forecast. We show that the adjusted forecasts are better calibrated, more consistent with the observational distribution, and exhibit smaller errors than benchmark predictions, while also enhancing the resolution of the raw forecasts and improving sharpness and spectral power relative to the standard cVAE.

Multicalibration extends classical calibration by requiring predictions to be unbiased over a rich collection of functions, encompassing both prediction slices and subpopulations. It has emerged as a powerful framework for fairness, robustness, and reliable prediction, yet the theoretical understanding of multicalibration boosting (MCBoost) remains fragmented and often relies on restrictive assumptions. In this work, we develop a unified and refined perspective on MCBoost that subsumes existing variants, including multiaccuracy, BatchGCP, and BatchMVP. We uncover several phenomena that provide new insights into its practical behavior: even highly accurate and flexible predictors can remain substantially miscalibrated; enforcing multicalibration introduces a calibration-risk trade-off; and early stopping plays a central role in controlling this trade-off. On the theoretical side, we establish a general framework for MCBoost under weaker and more realistic conditions. We show that the boosting iterates converge to a Bregman projection of the population-optimal predictor onto the cumulative span generated by the audit class, thereby explicitly characterizing the function space on which multicalibration is achieved. We further derive convergence rates under different smoothness assumptions, finite-sample guarantees, and principled stopping rules that ensure multicalibration at termination. Finally, we extend the theory of universal adaptability under covariate shift, providing more general transfer guarantees and clarifying when multicalibrated predictors generalize across domains. These results provide a more complete theoretical foundation and practical guidance for multicalibration boosting, positioning it as both a unifying framework and a reliable post-processing approach for modern predictive models.

One prominent method of evaluating machine learning model trustworthiness is the notion of calibration. In the binary outcome setting, a probabilistic predictor is calibrated if outcomes are realized according to a model's distributional prediction, conditioned on this prediction. Straightforward extensions of binary calibration definitions to probabilistic multiclass classifiers suffer from an exponential complexity blowup as the space of predictions grows exponentially in the number of classes $n$. As a remedy, Noarov and Roth (2023) propose multiclass calibration with predictions that are properties of the outcome distribution, reducing complexity from growing in the number of classes $n$ to the dimension $d$ of the property, called its elicitation complexity. Previous work on approximate property calibration is generally limited to continuous scalar properties, despite many relevant properties of interest being discrete, like the mode or rankings. We characterize the approximate property calibration of discrete properties which are strongly orderable by using Lipschitz continuous properties as an intermediary. This work is the first to our knowledge to provide approximate calibration results for discrete properties. Along the way, we characterize the Lipschitz elicitation complexity of strongly orderable discrete properties by constructing algorithms for designing these Lipschitz properties, which we prove can be post-processed to obtain the original discrete property.

Machine learning models for chronic kidney disease (CKD) risk prediction often post strong discrimination scores on internal test sets. Calibration and uncertainty quantification get far less attention, leaving clinicians without reliable information about whether the probability outputs are accurate. We trained five classifiers on the UCI CKD dataset (400 patients, 62.5% CKD prevalence): logistic regression, random forest, XGBoost, SVM with Platt scaling, and Gaussian naive Bayes. We evaluated each across calibration quality, conformal prediction coverage, and an eight-criterion deployment readiness framework. A distributional stress-test applied the best-calibrated variant of each model to the open-access MIMIC-IV demo cohort (97 patients, 23.7% CKD) to assess behaviour under prevalence shift and feature missingness. We measured calibration before and after Platt scaling and isotonic regression using Expected Calibration Error and Brier Score, and quantified uncertainty through split conformal prediction targeting 90% marginal coverage. All five models reached AUROC 1.00 on the UCI test set. Isotonic recalibration reduced internal ECE to 0.000-0.022. On MIMIC-IV, AUROC fell to 0.48-0.58, ECE rose to 0.68-0.76, and conformal coverage dropped from 0.80-0.98 to 0.21-0.25 against a 90% target. No model scored above 4 out of 16 on the deployment readiness checklist. Near-perfect internal performance did not transfer. Calibration stability and conformal coverage should be evaluated on external data before any clinical prediction model moves toward deployment.

Reliable confidence estimates are important for safely deploying vision-based controllers in autonomous racing, where safety predictions must be derived from camera images, yet modern predictors become dangerously overconfident under test-time distribution shifts. We identify a critical perception-dynamics gap in existing anomaly signals: widely used scores, such as autoencoder reconstruction error, capture visual corruptions but miss dynamics anomalies (e.g., actuation bias, latency), where images remain plausible while the trajectory degrades. To address this, we propose an Anomaly-Informed Online Calibration approach that, without retraining any model component, fuses two complementary anomaly scores extracted from a world model: a perceptual score from reconstruction error and a dynamics score from epistemic uncertainty and control-stream statistics. Based on these fused scores, a lightweight temperature-scaling calibrator leverages test-time augmentation to selectively reduce overconfidence under shift while preserving nominal-condition performance. Experiments on a physical DonkeyCar under four real-world anomaly protocols unseen during training (darkness, blur, actuation bias, processing latency) reduce average expected calibration error from 0.184 to 0.116, a 37% improvement over the best baseline, without modifying the base safety predictor.

Confidence calibration for classification models is vital in safety-critical decision-making scenarios and has received extensive attention. General confidence calibration methods assume training and test data are independent and identically distributed, limiting their effectiveness under covariate shifts. Previous calibration methods under covariate shift struggle with class-wise or canonical calibrations and often rely on unstable importance weighting when density ratios are large or unbounded. Given the above limitations, this paper rethinks confidence calibration under covariate shifts. First, we derive a necessary and sufficient condition for confidence calibration under covariate shifts, named Expectation consistency condition, which reveals covariate shifts do not necessarily lead to uncalibrated confidence and provides a weaker condition for confidence calibration than global covariate distribution alignment. Then, utilizing Expectation consistency condition, this paper proposes an unsupervised domain adaptation loss to calibrate confidence of the target domain, named Expectation consistency loss (ECL), which is compatible with canonical calibration, class-wise calibration, and top-label calibration. Third, we prove that computing ECL loss has the same sample complexity as Expected Calibration Error (ECE) and provide a theoretically grounded mini-batch trainable scheme for ECL loss. Finally, we validate the effectiveness of our method on both simulated and real-world covariate shift datasets.

Accurate and well-calibrated Machine Learning (ML) models are mandatory in high-stakes settings, yet effective multiclass calibration remains challenging: global approaches assume calibration errors are homogeneous across the latent space, while local methods often rely on latent-space dimensionality reduction, which leads to information loss. To address these issues, we propose a compositional approach to multiclass calibration, where region-specific calibration maps are constructed from shared codeword-dependent factors. We instantiate this idea via Vector Quantization (VQ), which induces a structured partition of the representation space, and an indexed parameterization of Dirichlet concentrations that enables parameter sharing across regions. Our approach learns heterogeneous calibration maps that generalize well even to sparse regions of the latent space. Experiments on benchmark datasets show significant improvements in local calibration while maintaining competitive global calibration and predictive performance.

Self-supervised learning (SSL) is now a standard way to pretrain medical image models, but performance is still mostly judged by downstream accuracy. For safety-critical screening tasks such as diabetic retinopathy grading, this is not enough: a model must also know when its predictions are unreliable and defer uncertain cases for clinical review. In this work, we examine how the length of SSL pretraining influences calibrated confidence and confidence-based abstention. We evaluate multiple SSL checkpoints under a fixed fine-tuning protocol and assess calibrated confidence, coverage, selective accuracy, and selective macro-F1. Across datasets and data regimes, SSL pretraining improves selective prediction compared to training from scratch. Unlike prior SSL studies that primarily evaluate downstream accuracy or AUROC, we analyze how SSL pretraining duration influences confidence behavior under calibrated confidence-based abstention. However, once accuracy saturates, selective performance can still change markedly across checkpoints, and longer pretraining does not consistently improve reliability. These results underscore the importance of abstention-aware evaluation and suggest that pretraining length should be treated as an important reliability-related design choice rather than only a computational detail. Code is available at GitHub.

Calibrating distributed hydrologic models is a critical bottleneck across operational water resources management - streamflow prediction, reservoir operation, drought monitoring, infrastructure design, and flood forecasting all depend on it. Each basin demands an expert to translate hydrograph signatures into adjustments of a high-dimensional parameter vector, and the resulting workflow does not transfer between watersheds. We ask: can frontier large language model (LLM) agents replace the human hydrologic modeler, and if not, what would it take? We benchmark nine frontier LLM agents - Claude Opus 4.6/4.7, Sonnet 4.6, GPT-5/5.4/5.4-pro, and Gemini 2.5-pro/3.1-pro/3-flash - on the operational CREST distributed hydrologic model used by the U.S. National Weather Service for flash-flood forecasting. Best-of-twenty-rounds Nash-Sutcliffe Efficiency (NSE) across four held-out gauges spanning 329-40,792 km2 ranges from -0.16 (GPT-5.4) to 0.75 (Sonnet 4.6); the ceiling reproduces across all three vendors and capability tiers, with the strongest models concentrating in the 0.65-0.75 band, and no model reaches the human-expert reference except Opus-4.7 on one gauge. We argue this gap is not a parameter-count problem but a domain-grounding problem. We then propose HYDROAGENT, fine-tuning open-weight Qwen3-4B with supervised fine-tuning on 2,576 expert calibration trajectories and Group-Relative Policy Optimization using NSE as a verifiable reward from online CREST simulations - reinforcement learning with simulation feedback (RLSF). For Earth system science, a small domain-tuned policy with simulator-in-the-loop RL is a more compute-efficient and physically faithful path than scaling generic frontier models, and the multi-modal richness of Earth data - remote sensing, in-situ time series, and forecaster narrative - makes domain agents a leveraged direction for AI in physical science.

Aggregate object detection metrics inherently mask catastrophic and repeatable failures in operationally critical, long-tail minority classes. This paper formally defines this pervasive vulnerability as the Hard-Category Reliability Problem (HCRP): the fundamental architectural challenge of strictly rectifying vulnerable categories without compromising the performance boundaries of stable classes under stringent protocols. To systematically dismantle this limitation, we propose Error-Decomposed Class-Conditional Fusion (ED-CCF), an elegant decision-layer inference framework. Diverging from heuristic global post-processing, ED-CCF projects predictions into a sophisticated quad-state error taxonomy, dynamically activating calibration pathways exclusively upon rigorous empirical justification. On a highly constrained 600-image validation benchmark, isolating cz as the critical vulnerability (HCEC=0.86, BSR=0.14), our framework achieves a targeted breakthrough: it elevates cz mAP50 from 0.089343 to 0.109353 (a massive +22.4% relative surge) while flawlessly preserving the Pareto optimality of global stability (raising all mAP50 from 0.581925 to 0.584864). Backed by exhaustive validation across 50 paired subset trials demonstrating an overwhelming 96% win rate and strict Bonferroni-corrected Wilcoxon significance (p<0.05), this work fundamentally redefines output-level fusion as an auditable, statistically guaranteed paradigm for safety-critical visual perception.

Calibration is commonly evaluated by comparing model confidence with its empirical correctness, implicitly treating reliability as a function of the confidence score alone. However, this view can hide substantial structure: models may be systematically overconfident on some kinds of inputs and underconfident on others, causing global reliability diagnostics to obscure localised calibration failures. To address this, we formulate the problem of discovering hidden miscalibration regimes without assuming access to predefined data slices. We define the corresponding miscalibration field and propose a diagnostic framework for estimating it. Our approach learns a calibration-aware representation of the input space and estimates signed local miscalibration by kernel smoothing in the learned geometry. Across four real-world LLM benchmarks and twelve LLMs, we find that input-dependent calibration heterogeneity is prevalent. We further show that the discovered fields are actionable: they support local confidence correction and reduce calibration error in systematically miscalibrated regions where confidence-based methods such as isotonic regression and temperature scaling are less effective.

Extracting actionable knowledge from industrial visual data is fundamentally bottlenecked by extreme class imbalance and the prohibitive computational complexity of modern foundation models. In semi-conductor manufacturing, identifying multi-label wafer defects is a complex spatial data mining task where overlapping patterns obscure critical root-cause signals. While Vision Transformers (ViTs) excel at global dependency extraction, their quadratic scaling renders them inefficient for high-throughput, real-time anomaly detection. To overcome these computational barriers, this paper introduces Hybrid Quantum-MambaVision, a highly efficient architecture tailored for spatial knowledge discovery. We integrate a linear-complexity State-Space Model (SSM) backbone with a Parameterized Quantum Context Adapter (QCA) and Low-Rank Adaptation (LoRA). The Mamba backbone efficiently captures long-range spatial dependencies, while the quantum adapter maps compressed latent features into a high-dimensional Hilbert space to disentangle complex, overlapping signatures. On the highly imbalanced MixedWM38 dataset, Hybrid Quantum-MambaVision achieves exceptional multi-label classification performance, significantly reducing the error rate on complex multi-defect topologies compared to classical baselines. The quantum regularizer acts as a profound uncertainty calibrator, substantially reducing Maximum Calibration Error (MCE) and minimizing expected false-positive costs. This work establishes a scalable Quantum-Classical hybrid paradigm for efficient representation learning in industrial data mining.

Model merging combines task experts into one model and avoids joint training, retraining, or deploying many expert models, but the merged model often still underperforms task experts. We study this performance gap through feature drift, the difference between features produced by the merged model and by the expert on the same input. Our theory decomposes this drift into upstream propagation and local mismatch, tracks how it propagates and combines through later layers in forward order, and links final feature drift to output drift. This view motivates FeatCal, which uses a small calibration set to calibrate the merged model weights layer by layer in forward order, reducing feature drift while staying close to merged weights and preserving the benefits of model merging. FeatCal uses an efficient closed-form solution to update model weights, with no gradient descent, iterative optimization, or extra modules. On the main CLIP and GLUE benchmarks, FeatCal beats Surgery and ProbSurgery, the closest post-merging calibration baselines: 85.5% vs. 77.0%/78.8% on CLIP-ViT-B/32 Task Arithmetic (TA) and 85.2% vs. 83.7%/82.2% on FLAN-T5-base GLUE. On CLIP-ViT-B/32, 8 examples per task reach 82.9%, and 256 examples per task take 53 seconds, about 4x faster than both baselines, showing better sample efficiency and lower calibration cost.

We introduce Observation-aware Conformal Uncertainty Local-Calibration (OCULAR), a conformal prediction-based algorithm that uses perception information to provide uncertainty quantification guarantees for unseen test-time environments. While previous conformal approaches lack the ability to discriminate between state-action space regions leading to higher or lower model mismatch, and require environment-specific data, our method uses data collected from visually similar environments to provably calibrate a linear Gaussian dynamics model of arbitrary fidelity. The prediction regions generated from OCULAR are guaranteed to contain the future system states with, at least, a user-set likelihood, despite both aleatoric and epistemic uncertainty -- i.e., uncertainty arising from both stochastic disturbances and lack of data. Our guarantees are non-asymptotic and distribution-free, not requiring strong assumptions about the unknown real system dynamics. Our calibration procedure enables distinguishing between observation-velocity-action inputs leading to higher and lower next-state-uncertainty, which is helpful for probabilistically-safe planning. We numerically validate our algorithm on a double-integrator system subject to random perturbations and significant model mismatch, using both a simplified sensor and a more realistic simulated camera. Our approach calibrates approximate uncertainty estimates both when in-distribution and out-of-distribution, producing volume-efficient prediction regions without requiring environment-specific data.

Multimodal Large Language Models (MLLMs) have shown strong performance in multi-image cross-modal retrieval, yet suffer from severe position bias, where predictions are dominated by input order rather than semantic relevance. Through empirical analysis, we identify a phenomenon termed Logit-Attention Divergence, in which output logits are heavily biased while internal attention maps remain well-aligned with relevant visual evidence. This observation reveals a fundamental limitation of existing logit-level calibration methods such as PriDe. Based on this insight, we propose a training-free, attention-guided debiasing framework that leverages intrinsic attention signals for instance-level correction at inference time, requiring only a minimal calibration set with negligible computational overhead. Experiments on MS-COCO-based benchmarks show that our method substantially improves permutation invariance and achieves state-of-the-art performance, enhancing accuracy by over 40% compared to baselines. Code is available at https://github.com/brightXian/LAD.

Detecting out-of-distribution (OOD) samples is critical for safe deployment of neural networks in safety-critical applications. While maximum softmax probability (MSP) provides a simple baseline, it lacks theoretical grounding and suffers from miscalibration. We propose VNDUQE (VIB-based Novelty Detection and Uncertainty Quantification for Nondestructive Evaluation), which investigates novelty detection through the Deep Variational Information Bottleneck (VIB), which explicitly constrains information flow through learned representations. We train VIB models on MNIST with held-out digit classes and evaluate OOD detection using information-theoretic metrics: KL divergence and prediction entropy. Our results reveal complementary detection signals: KL divergence achieves perfect detection (100% AUROC on noise) on far-OOD samples (noise, domain shift), while prediction entropy excels at near-OOD detection (94.7% AUROC on novel digit classes). A parallel detection strategy combining both metrics achieves 95.3% average AUROC and 92% true positive rate at 5% false positive rate, which is a 32 percentage point improvement over baseline MSP (85.0% AUROC, 60.1% TPR). Compression via the information bottleneck principle ($β=10^{-3}$) reduces Expected Calibration Error by 38%, demonstrating that information-theoretic constraints produce fundamentally more reliable uncertainty estimates. These findings directly support active learning with expensive computational oracles, where well-calibrated novelty detection enables principled threshold selection for oracle queries.

Making calibrated online predictions is a central challenge in modern AI systems. Much of the existing literature focuses on fully adversarial environments where outcomes may be arbitrary, leading to conservative algorithms that can perform suboptimally in more benign settings, such as when outcomes are nearly stationary. This gap raises a natural question: can we design online prediction algorithms whose calibration error automatically adapts to the degree of non-stationarity in the environment, smoothly interpolating between i.i.d. and adversarial regimes? We answer this question in the affirmative and develop a suite of algorithms that achieve adaptive calibration guarantees under multiple calibration measures. Specifically, with $T$ being the number of rounds, $K$ being the unknown number of i.i.d. segments of the environment, and $C\in[0,T]$ being another unknown non-stationary measure defined as the minimal $\ell_1$ deviation of the mean outcomes, our algorithms attain $\widetilde{O}(\min\{\sqrt{T}+(TC)^{\frac{1}{3}}, \sqrt{KT}\})$ for $\ell_1$ calibration error and $\widetilde{O}(\min\{(1+C)^{\frac{1}{3}}, K\})$ for both $\ell_2$ and pseudo KL calibration error. These bounds match the optimal rates in the stationary case ($C=0$ and $K=1$) and recover known guarantees in the fully adversarial regime ($C, K=Ω(T)$). Our approach builds on and extends prior work [Hu et al., 2026, Luo et al., 2025], introducing an epoch-based scheduling together with a novel non-uniform partition of the prediction space that allocates finer resolution near the underlying ground truth.

Multicalibration requires predicted scores to agree with label probabilities across rich families of subgroups and score-dependent tests, but existing methods require clean input-label pairs for evaluation and post-processing. This assumption fails in weakly supervised learning (WSL) regimes -- including positive-unlabeled, unlabeled-unlabeled, and positive-confidence learning -- where clean labels are costly or unavailable even though reliable uncertainty estimates may be crucial. We address this gap by developing estimators of multicalibration error and post-hoc correction methods for WSL settings in which clean input-label pairs are unavailable. We propose a unified framework for estimating and correcting multicalibration under weak supervision by combining contamination-matrix risk rewrites with witness-based calibration constraints, yielding corrected multicalibration moments with finite-sample guarantees. We further propose weak-label multicalibration boost (WLMC), a generic post-hoc recalibration algorithm under weak supervision. Finally, we conduct experiments across multiple weak-supervision settings to evaluate multicalibration behavior and offer empirical insight into uncertainty estimation under weak supervision.

We study online multicalibration beyond the worst-case. We give a single, efficient algorithm which dynamically interpolates between benign and worst-case sequences by adaptively refining a dyadic grid of prediction values. Its error is controlled by the number of leaves in the refinement tree. Our analysis recovers the known $\widetilde O(T^{2/3})$ worst-case-optimal rate for online multicalibration, while simultaneously automatically adapting to easier instances: in the marginal stochastic setting it obtains a rate of $\widetilde O(\sqrt T)$, and for piecewise-stationary means with $J$ segments its rate is $\widetilde O(\sqrt{JT})$. More generally, the rate depends on a threshold-complexity measure of the predictable mean process relative to the group family. We show that this dependence is tight up to logarithmic factors.

Macroscopic transport modelling aims to predict traffic flows after proposed public policy interventions, such as a new road or railway section or a temporary road closure. As such, it is a vital step in infrastructure planning and development. Traditionally, building a transport model has relied on complex understanding of socio-economic characteristics of the population requiring expensive data collection via surveys, which are prone to biases. Previous numerical frameworks to optimize transport models to fit observed traffic flows are not easily-interpretable and can lead to overfit. We present here an alternative: a data-driven modelling protocol with objective function based on traffic counts, which can be nowadays cheaply and reliably obtained; explainable model weights; and a controlled path to increase model complexity and accuracy. We demonstrate our approach on several toy and realistic examples, and suggest ways to generalize to multimodal systems including public transport.

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

Second-order calibration error quantifies how closely a higher-order predictor's epistemic-uncertainty estimate matches the conditional variance of the label probability on its level sets. We characterize the minimax rate of estimating the second-order calibration error for binary classification in the regime where a small perturbation is applied to the classifier outputs. Our procedure is simple: add independent bandwidth-$h$ sech noise to the score coordinates, then regress $Y^{(1)}$ and $Y^{(1)}Y^{(2)}$ on the perturbed score using low-degree polynomials. Crucially, the sech perturbation makes the calibration functions analytic in a suitable strip. The resulting estimator has error $O_h(\log^{3/2}n/\sqrt n)$, with explicit constants. In the same setting, a matching $Ω(1/\sqrt{n})$ lower bound establishes minimax optimality up to logarithmic factors. As a corollary, we give a finite-sample guarantee for perturbed second-order Platt scaling, yielding a post-hoc procedure that recalibrates both the mean prediction and the epistemic-variance estimate of the perturbed higher-order predictor. Along the way, we give an explicit two-moment formulation of second-order calibration error and relate it quantitatively to the bucketed formulation of Ahdritz et al. [2025]. Our experiments confirm the predicted rate and the quality of the recalibrated uncertainties.

Bayesian model calibration is central to digital twins and computer experiments, as it aligns model outputs with field observations by estimating calibration parameters and correcting systematic model bias. Classical Bayesian calibration introduces latent parameters and a discrepancy function to model bias, but suffers from parameter--discrepancy confounding and is typically formulated as an offline procedure under a stationary data-generating assumption. These limitations are restrictive in modern digital twin applications, where systems evolve over time and may exhibit gradual drift and abrupt regime shifts. While data assimilation methods enable sequential updates, they generally do not explicitly model systematic bias and are less effective under abrupt changes. We propose Bayesian Recursive Projected Calibration (BRPC), an online Bayesian calibration framework for streaming data under simulator mismatch and nonstationarity. BRPC extends projected calibration to the online setting by separating a discrepancy-free particle update for calibration parameters from a conditional Gaussian process update for discrepancy, preserving identifiability while enabling bias-aware adaptation under gradual system evolution. To handle abrupt changes, BRPC is integrated with restart mechanisms that detect regime shifts and reset the calibration process. We establish theoretical guarantees for both components, including tracking performance under gradual evolution and false-alarm and detection behavior for restart mechanisms. Empirical studies on synthetic and plant-simulation benchmarks show that BRPC improves calibration accuracy under gradual changes, while restart-augmented BRPC further improves robustness and predictive performance under abrupt regime shifts compared to sliding-window Bayesian calibration and data assimilation baselines.

The ability to reliably distinguish human-written text from that generated by large language models is of profound societal importance. The dominant approach to this problem exploits the likelihood hypothesis: that machine-generated text should appear more probable to a detector language model than human-written text. However, we demonstrate that the token-level signal distinguishing human and machine text is non-uniform across the hidden space of the detector model, and naively averaging likelihood-based token scores across regions with fundamentally different statistical structure, as most detectors do, causes a form of Simpson's paradox: a strong local signal is destroyed by inappropriate aggregation. To correct for this, we introduce a learned local calibration step grounded in Bayesian decision theory. Rather than aggregating raw token scores, we first learn lightweight predictors of the score distributions conditioned on position in hidden space, and aggregate calibrated log-likelihood ratios instead. This single intervention dramatically and consistently improves detection performance across all baseline detectors and all datasets we consider. For example, our calibrated variant of Fast-DetectGPT improves AUROC from $0.63$ to $0.85$ on GPT-5.4 text, and a locally-calibrated DMAP detector we introduce achieves state-of-the-art performance across the board. That said, our central contribution is not a new detector, but a precise diagnosis of a significant cause of under-performance of existing detectors and a principled, modular remedy compatible with any token-averaging pipeline. This will serve as a foundation for the community to build upon, with natural avenues including richer distributional models, improved calibration strategies, and principled ensembling with hidden-space geometry signals via the full Bayes-optimal decision rule.

In routine care, individuals identified a priori as high-risk are usually tested for conditions more frequently. Protected attributes, such as sex or ethnicity may also determine testing frequency. Such heterogeneous detection rates across a population induce label error. This causes systematic model error for specific groups and biases performance metrics during validation. This paper proposes a method to correct for such bias in prediction models due to differential diagnostic delay. We use a causal inference framework to define our target estimand: an individual's diagnosis probability in a counterfactual scenario where their diagnosis rate matches that of a reference group. We model the longitudinal process as a hidden Markov model, in which confirmatory test results are emissions from a latent progressive disease stage. We validate our approach in simulated data and apply it to a case study of chronic kidney disease prediction using electronic health records. In simulations, our method reduces prediction bias and improves calibration-in-the-large, correcting the Observed:Expected ratio in the underdiagnosed group from 1.34 (standard deviation: 0.09) in a model developed without any correction for underdiagnosis bias to 1.02 (0.09). Violations of assumptions in the simulation affected the estimation of model parameters, but the proposed approach nonetheless remained better calibrated than the standard model. In the clinical case study, we identify diabetes as the main driver of observability, with an odds ratio of 10.36 (95% confidence interval, 9.80 - 11.02) in 6-month urine albumin-creatinine ratio testing rate. Using our approach to predict the counterfactual diagnostic rate in patients without diabetes, we improved the Observed:Expected ratio of a developed clinical prediction model from 1.55 (1.51 - 1.59) to 1.01 (0.98 - 1.04).

The Brier score conflates two distinct properties of probabilistic predictions: reliability (calibration error) and resolution (discriminatory power). We introduce the Manokhin Probability Matrix, a BCG-style two-dimensional diagnostic framework that separates them. Classifiers are placed on a 2x2 grid by Spiegelhalter Z-statistic and AUC-ROC expected rank, then assigned to one of four archetypes: Eagle (good on both axes), Bull (strong discrimination, poor calibration), Sloth (well-calibrated, weak discriminator), and Mole (poor on both). Each archetype carries a distinct prescription. We populate the matrix from a large-scale empirical study spanning 21 classifiers, 5 post-hoc calibrators, and 30 real-world binary classification tasks from the TabArena-v0.1 suite. The assignment is unambiguous. CatBoost, TabICL, EBM, TabPFN, GBC, and Random Forest are Eagles. XGBoost, LightGBM, and HGB are Bulls; Venn-Abers calibration cuts log-loss by 6.5 to 12.6% on Bulls but degrades Eagles by 2.1%. SVM, LR, LDA, and the empirical base-rate predictor are Sloths. MLP, KNN, Naive Bayes, and ExtraTrees are Moles. A theoretical asymmetry follows: no order-preserving post-hoc calibrator can add discriminatory power (Proposition 1), so calibration is the fixable part and discrimination is the hard part. The practical rule is direct: do not optimise aggregate Brier score without first decomposing it; optimise discrimination first, then fix calibration post-hoc. Code and raw experimental data are available at https://github.com/valeman/classifier_calibration.