Daily Papers

Without proper safeguards, large language models will readily follow malicious instructions and generate toxic content. This motivates safety efforts such as red-teaming and large-scale feedback learning, which aim to make models both helpful and harmless. However, there is a tension between these two objectives, since harmlessness requires models to refuse complying with unsafe prompts, and thus not be helpful. Recent anecdotal evidence suggests that some models may have struck a poor balance, so that even clearly safe prompts are refused if they use similar language to unsafe prompts or mention sensitive topics. In this paper, we introduce a new test suite called XSTest to identify such eXaggerated Safety behaviours in a structured and systematic way. In its current form, XSTest comprises 200 safe prompts across ten prompt types that well-calibrated models should not refuse to comply with. We describe XSTest's creation and composition, and use the test suite to highlight systematic failure modes in a recently-released state-of-the-art language model.

Deep learning (DL) has become the dominant approach for medical image segmentation, yet ensuring the reliability and clinical applicability of these models requires addressing key challenges such as annotation variability, calibration, and uncertainty estimation. This is why we created the Calibration and Uncertainty for multiRater Volume Assessment in multiorgan Segmentation (CURVAS), which highlights the critical role of multiple annotators in establishing a more comprehensive ground truth, emphasizing that segmentation is inherently subjective and that leveraging inter-annotator variability is essential for robust model evaluation. Seven teams participated in the challenge, submitting a variety of DL models evaluated using metrics such as Dice Similarity Coefficient (DSC), Expected Calibration Error (ECE), and Continuous Ranked Probability Score (CRPS). By incorporating consensus and dissensus ground truth, we assess how DL models handle uncertainty and whether their confidence estimates align with true segmentation performance. Our findings reinforce the importance of well-calibrated models, as better calibration is strongly correlated with the quality of the results. Furthermore, we demonstrate that segmentation models trained on diverse datasets and enriched with pre-trained knowledge exhibit greater robustness, particularly in cases deviating from standard anatomical structures. Notably, the best-performing models achieved high DSC and well-calibrated uncertainty estimates. This work underscores the need for multi-annotator ground truth, thorough calibration assessments, and uncertainty-aware evaluations to develop trustworthy and clinically reliable DL-based medical image segmentation models.

We introduce the concept of "universal password model" -- a password model that, once pre-trained, can automatically adapt its guessing strategy based on the target system. To achieve this, the model does not need to access any plaintext passwords from the target credentials. Instead, it exploits users' auxiliary information, such as email addresses, as a proxy signal to predict the underlying password distribution. Specifically, the model uses deep learning to capture the correlation between the auxiliary data of a group of users (e.g., users of a web application) and their passwords. It then exploits those patterns to create a tailored password model for the target system at inference time. No further training steps, targeted data collection, or prior knowledge of the community's password distribution is required. Besides improving over current password strength estimation techniques and attacks, the model enables any end-user (e.g., system administrators) to autonomously generate tailored password models for their systems without the often unworkable requirements of collecting suitable training data and fitting the underlying machine learning model. Ultimately, our framework enables the democratization of well-calibrated password models to the community, addressing a major challenge in the deployment of password security solutions at scale.

We study the problem of nonepisodic reinforcement learning (RL) for nonlinear dynamical systems, where the system dynamics are unknown and the RL agent has to learn from a single trajectory, i.e., without resets. We propose Nonepisodic Optimistic RL (NeoRL), an approach based on the principle of optimism in the face of uncertainty. NeoRL uses well-calibrated probabilistic models and plans optimistically w.r.t. the epistemic uncertainty about the unknown dynamics. Under continuity and bounded energy assumptions on the system, we provide a first-of-its-kind regret bound of O(Gamma_T T) for general nonlinear systems with Gaussian process dynamics. We compare NeoRL to other baselines on several deep RL environments and empirically demonstrate that NeoRL achieves the optimal average cost while incurring the least regret.

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.

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.

Large Language models (LLMs) can generate complicated source code from natural language prompts. However, LLMs can generate output that deviates from what the user wants, requiring supervision and editing. To support this process, we offer techniques to localize where generations might be misaligned from user intent. We first create a dataset of "Minimal Intent Aligning Patches" of repaired LLM generated programs. Each program uses test cases to verify correctness. After creating a dataset of programs, we measure how well various techniques can assign a well-calibrated probability to indicate which parts of code will be edited in a minimal patch (i.e., give a probability that corresponds with empirical odds it is edited). We compare white-box probing (where we propose a technique for efficient arbitrary-span querying), against black-box reflective and self-consistency based approaches. We find probes with a small supervisor model can achieve low calibration error and Brier Skill Score of approx 0.2 estimating edited lines on code generated by models many orders of magnitude larger. We discuss the generalizability of the techniques, and the connections to AI oversight and control, finding a probe trained only on code shows some signs of generalizing to natural language errors if new probability scaling is allowed.

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%.

Recent benchmarks reveal that models for single-cell perturbation response are often outperformed by simply predicting the dataset mean. We trace this anomaly to a metric artifact: control-referenced deltas and unweighted error metrics reward mode collapse whenever the control is biased or the biological signal is sparse. Large-scale in silico simulations and analysis of two real-world perturbation datasets confirm that shared reference shifts, not genuine biological change, drives high performance in these evaluations. We introduce differentially expressed gene (DEG)-aware metrics, weighted mean-squared error (WMSE) and weighted delta R^{2} (R^{2}_{w}(Δ)) with respect to all perturbations, that measure error in niche signals with high sensitivity. We further introduce negative and positive performance baselines to calibrate these metrics. With these improvements, the mean baseline sinks to null performance while genuine predictors are correctly rewarded. Finally, we show that using WMSE as a loss function reduces mode collapse and improves model performance.

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.

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.

Language models are increasingly used in Brazil, but most evaluation remains English-centric. This paper presents Alvorada-Bench, a 4,515-question, text-only benchmark drawn from five Brazilian university entrance examinations. Evaluating twenty models under zero-shot, role-playing, and chain-of-thought prompting, producing 270,900 responses with structured self-reports of confidence, perceived difficulty, and Bloom level. The top models exceed 94% accuracy overall, but accuracy declines on Mathematics and on the engineering oriented IME and ITA exams, indicating persistent weaknesses in multi-step reasoning. Confidence is well calibrated and correlates with perceived difficulty, revealing that models can accurately assess their own certainty capabilities. A cost accuracy analysis shows that high accuracy is achievable at under $2 per 1K tokens. On ENEM 2024 the top model (O3) achieved perfect scores in Languages subject questions while even the weakest system (GPT-4.1 Nano) only underperforms humans in Mathematics. Through exams that distill decades of Brazilian educational priorities and assess millions of students yearly, Alvorada-Bench establishes whether language models can navigate the intersection of language, culture, and reasoning that defines academic readiness in Brazil.

Large language models (LLMs) have revolutionized the field of natural language processing with their impressive reasoning and question-answering capabilities. However, these models are sometimes prone to generating credible-sounding but incorrect information, a phenomenon known as LLM hallucinations. Reliable uncertainty estimation in LLMs is essential for fostering trust in their generated responses and serves as a critical tool for the detection and prevention of erroneous or hallucinated outputs. To achieve reliable and well-calibrated uncertainty quantification in open-ended and free-form natural language generation, we propose an uncertainty-aware fine-tuning approach for LLMs. This approach enhances the model's ability to provide reliable uncertainty estimates without compromising accuracy, thereby guiding them to produce more trustworthy responses. We introduce a novel uncertainty-aware causal language modeling loss function, grounded in the principles of decision theory. Through rigorous evaluation on multiple free-form question-answering datasets and models, we demonstrate that our uncertainty-aware fine-tuning approach yields better calibrated uncertainty estimates in natural language generation tasks than fine-tuning with the standard causal language modeling loss. Furthermore, the experimental results show that the proposed method significantly improves the model's ability to detect hallucinations and identify out-of-domain prompts.

We study whether language models can evaluate the validity of their own claims and predict which questions they will be able to answer correctly. We first show that larger models are well-calibrated on diverse multiple choice and true/false questions when they are provided in the right format. Thus we can approach self-evaluation on open-ended sampling tasks by asking models to first propose answers, and then to evaluate the probability "P(True)" that their answers are correct. We find encouraging performance, calibration, and scaling for P(True) on a diverse array of tasks. Performance at self-evaluation further improves when we allow models to consider many of their own samples before predicting the validity of one specific possibility. Next, we investigate whether models can be trained to predict "P(IK)", the probability that "I know" the answer to a question, without reference to any particular proposed answer. Models perform well at predicting P(IK) and partially generalize across tasks, though they struggle with calibration of P(IK) on new tasks. The predicted P(IK) probabilities also increase appropriately in the presence of relevant source materials in the context, and in the presence of hints towards the solution of mathematical word problems. We hope these observations lay the groundwork for training more honest models, and for investigating how honesty generalizes to cases where models are trained on objectives other than the imitation of human writing.

Prior work has shown that instruction-tuned large language models (LLMs) are less well calibrated than their base pre-trained counterparts. However, little is known about the frequently used chat template's effect on the calibration of conversational LLMs. In this work, we investigate the mechanisms driving this miscalibration by decoupling the effects of the post-training algorithm and the chat format. We find that, while instruction tuning fundamentally harms calibration, the chat template aggravates the issue through an "ownership bias" -- models are significantly more confident in their own answers than in identical answers provided by a user. Extensive experiments across six recent open-weight LLMs, three benchmarks, and three confidence elicitation methods show that models assign up to 26% higher confidence to their own responses. Leveraging this insight, we propose a simple inference-time strategy: framing the model's answer as user input during confidence elicitation. This approach significantly reduces overconfidence and improves calibration by up to 26% without the need for retraining, narrowing the gap between base and instruction-tuned models.

Transformers, currently the state-of-the-art in natural language understanding (NLU) tasks, are prone to generate uncalibrated predictions or extreme probabilities, making the process of taking different decisions based on their output relatively difficult. In this paper we propose to build several inductive Venn--ABERS predictors (IVAP), which are guaranteed to be well calibrated under minimal assumptions, based on a selection of pre-trained transformers. We test their performance over a set of diverse NLU tasks and show that they are capable of producing well-calibrated probabilistic predictions that are uniformly spread over the [0,1] interval -- all while retaining the original model's predictive accuracy.

The emerging zero-shot capabilities of Large Language Models (LLMs) have led to their applications in areas extending well beyond natural language processing tasks. In reinforcement learning, while LLMs have been extensively used in text-based environments, their integration with continuous state spaces remains understudied. In this paper, we investigate how pre-trained LLMs can be leveraged to predict in context the dynamics of continuous Markov decision processes. We identify handling multivariate data and incorporating the control signal as key challenges that limit the potential of LLMs' deployment in this setup and propose Disentangled In-Context Learning (DICL) to address them. We present proof-of-concept applications in two reinforcement learning settings: model-based policy evaluation and data-augmented off-policy reinforcement learning, supported by theoretical analysis of the proposed methods. Our experiments further demonstrate that our approach produces well-calibrated uncertainty estimates. We release the code at https://github.com/abenechehab/dicl.

For large language models (LLMs) to be trusted by humans they need to be well-calibrated in the sense that they can accurately assess and communicate how likely it is that their predictions are correct. Recent work has focused on the quality of internal LLM confidence assessments, but the question remains of how well LLMs can communicate this internal model confidence to human users. This paper explores the disparity between external human confidence in an LLM's responses and the internal confidence of the model. Through experiments involving multiple-choice questions, we systematically examine human users' ability to discern the reliability of LLM outputs. Our study focuses on two key areas: (1) assessing users' perception of true LLM confidence and (2) investigating the impact of tailored explanations on this perception. The research highlights that default explanations from LLMs often lead to user overestimation of both the model's confidence and its' accuracy. By modifying the explanations to more accurately reflect the LLM's internal confidence, we observe a significant shift in user perception, aligning it more closely with the model's actual confidence levels. This adjustment in explanatory approach demonstrates potential for enhancing user trust and accuracy in assessing LLM outputs. The findings underscore the importance of transparent communication of confidence levels in LLMs, particularly in high-stakes applications where understanding the reliability of AI-generated information is essential.

Vision-language models (VLMs), such as CLIP and SigLIP, have found remarkable success in classification, retrieval, and generative tasks. For this, VLMs deterministically map images and text descriptions to a joint latent space in which their similarity is assessed using the cosine similarity. However, a deterministic mapping of inputs fails to capture uncertainties over concepts arising from domain shifts when used in downstream tasks. In this work, we propose post-hoc uncertainty estimation in VLMs that does not require additional training. Our method leverages a Bayesian posterior approximation over the last layers in VLMs and analytically quantifies uncertainties over cosine similarities. We demonstrate its effectiveness for uncertainty quantification and support set selection in active learning. Compared to baselines, we obtain improved and well-calibrated predictive uncertainties, interpretable uncertainty estimates, and sample-efficient active learning. Our results show promise for safety-critical applications of large-scale models.

Inference with modern Large Language Models (LLMs) is expensive and time-consuming, and speculative sampling has proven to be an effective solution. Most speculative sampling methods such as EAGLE use a static draft tree, implicitly assuming that the acceptance rate of draft tokens depends only on their position. Interestingly, we found that the acceptance rate of draft tokens is also context-dependent. In this paper, building upon EAGLE, we propose EAGLE-2, which introduces a new technique of context-aware dynamic draft tree into drafting modeling. This improvement leverages the fact that the draft model of EAGLE is well-calibrated: the confidence scores from the draft model approximate acceptance rates with small errors. We conducted extensive evaluations on three series of LLMs and six tasks, with EAGLE-2 achieving speedup ratios 3.05x-4.26x, which is 20%-40% faster than EAGLE-1. EAGLE-2 also ensures that the distribution of the generated text remains unchanged, making it a lossless acceleration algorithm.

Large multi-modal language models are increasingly deployed in high-stakes domains, making well-calibrated uncertainty essential. Traditional Bayesian methods approximate posteriors over all model weights, which becomes intractable for modern large models. For this reason, recent work instead considers Bayesian low-rank adaptation to enable tractable posterior approximation. Due to a lack of a standardized benchmark to evaluate these approaches, it remains unclear where these methods provide meaningful benefits. To fill this gap, we introduce Bayesian Adaptation Gym (BAG), a benchmark for the Bayesian adaptation of multi-modal language models. BAG provides reference implementations of classic Bayesian baselines and state-of-the-art adaptation methods, along with a multi-modal dataset and task suite designed to probe calibration, robustness under distribution shift, and decision-making under uncertainty via active learning. Using BAG, we conduct and report extensive experiments across model sizes, datasets, and tasks to highlight the successes and failures of current Bayesian adaptation approaches. To enable further research, BAG is fully open source: https://github.com/SRI-CSL/BayesAdapt.

Language models (LMs) often struggle to generate diverse, human-like creative content, raising concerns about the long-term homogenization of human thought through repeated exposure to similar outputs. Yet scalable methods for evaluating LM output diversity remain limited, especially beyond narrow tasks such as random number or name generation, or beyond repeated sampling from a single model. We introduce Infinity-Chat, a large-scale dataset of 26K diverse, real-world, open-ended user queries that admit a wide range of plausible answers with no single ground truth. We introduce the first comprehensive taxonomy for characterizing the full spectrum of open-ended prompts posed to LMs, comprising 6 top-level categories (e.g., brainstorm & ideation) that further breaks down to 17 subcategories. Using Infinity-Chat, we present a large-scale study of mode collapse in LMs, revealing a pronounced Artificial Hivemind effect in open-ended generation of LMs, characterized by (1) intra-model repetition, where a single model consistently generates similar responses, and more so (2) inter-model homogeneity, where different models produce strikingly similar outputs. Infinity-Chat also includes 31,250 human annotations, across absolute ratings and pairwise preferences, with 25 independent human annotations per example. This enables studying collective and individual-specific human preferences in response to open-ended queries. Our findings show that LMs, reward models, and LM judges are less well calibrated to human ratings on model generations that elicit differing idiosyncratic annotator preferences, despite maintaining comparable overall quality. Overall, INFINITY-CHAT presents the first large-scale resource for systematically studying real-world open-ended queries to LMs, revealing critical insights to guide future research for mitigating long-term AI safety risks posed by the Artificial Hivemind.

We introduce Mosaic, a probabilistic weather forecasting model that addresses two distinct failure modes of spectral degradation in ML-based weather prediction: (1) spectral damping caused by deterministic training against ensemble means; and (2) aliasing artifacts caused by compressive encoding onto a coarse latent grid. Mosaic generates ensemble members through learned functional perturbations and operates on native-resolution grids via mesh-aligned block-sparse attention, a hardware-aligned mechanism that captures long-range dependencies at linear cost by sharing keys and values across spatially adjacent queries. At 1.5° resolution with 214M parameters, Mosaic matches or outperforms models trained on 6times finer resolution on key variables and achieves state-of-the-art results among 1.5° models, producing well-calibrated ensembles whose individual members exhibit near-perfect spectral alignment across all resolved frequencies. A 24-member, 10-day forecast takes under 12\,s on a single H100~GPU. Code is available at https://github.com/maxxxzdn/mosaic.

Reasoning models have demonstrated impressive performance on difficult tasks that traditional language models struggle at. However, many are plagued with the problem of overthinking--generating large amounts of unnecessary tokens which don't improve accuracy on a question. We introduce approximate measures of problem-level difficulty and demonstrate that a clear relationship between problem difficulty and optimal token spend exists, and evaluate how well calibrated a variety of reasoning models are in terms of efficiently allocating the optimal token count. We find that in general, reasoning models are poorly calibrated, particularly on easy problems. To evaluate calibration on easy questions we introduce DUMB500, a dataset of extremely easy math, reasoning, code, and task problems, and jointly evaluate reasoning model on these simple examples and extremely difficult examples from existing frontier benchmarks on the same task domain. Finally, we introduce THOUGHTTERMINATOR, a training-free black box decoding technique that significantly improves reasoning model calibration.

Predicting mortality-related outcomes from images offers the prospect of accessible, noninvasive, and scalable health screening. We present a method that leverages pretrained vision transformer foundation models to estimate remaining lifespan from facial and whole-body images, alongside robust uncertainty quantification. We show that predictive uncertainty varies systematically with the true remaining lifespan, and that this uncertainty can be effectively modeled by learning a Gaussian distribution for each sample. Our approach achieves state-of-the-art mean absolute error (MAE) of 7.48 years on an established Dataset, and further improves to 4.79 and 5.07 years MAE on two new, higher-quality datasets curated and published in this work. Importantly, our models provide well-calibrated uncertainty estimates, as demonstrated by a bucketed expected calibration error of 0.62 years. While not intended for clinical deployment, these results highlight the potential of extracting medically relevant signals from images. We make all code and datasets available to facilitate further research.

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.

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.

Standard evaluation of LLM confidence relies on calibration metrics (ECE, Brier score) that conflate two distinct capacities: how much a model knows (Type-1 sensitivity) and how well it knows what it knows (Type-2 metacognitive sensitivity). We introduce an evaluation framework based on Type-2 Signal Detection Theory that decomposes these capacities using meta-d' and the metacognitive efficiency ratio M-ratio. Applied to four LLMs (Llama-3-8B-Instruct, Mistral-7B-Instruct-v0.3, Llama-3-8B-Base, Gemma-2-9B-Instruct) across 224,000 factual QA trials, we find: (1) metacognitive efficiency varies substantially across models even when Type-1 sensitivity is similar -- Mistral achieves the highest d' but the lowest M-ratio; (2) metacognitive efficiency is domain-specific, with different models showing different weakest domains, invisible to aggregate metrics; (3) temperature manipulation shifts Type-2 criterion while meta-d' remains stable for two of four models, dissociating confidence policy from metacognitive capacity; (4) AUROC_2 and M-ratio produce fully inverted model rankings, demonstrating these metrics answer fundamentally different evaluation questions. The meta-d' framework reveals which models "know what they don't know" versus which merely appear well-calibrated due to criterion placement -- a distinction with direct implications for model selection, deployment, and human-AI collaboration. Pre-registered analysis; code and data publicly available.

Large language models (LLMs) have become increasingly prevalent in our daily lives, leading to an expectation for LLMs to be trustworthy -- - both accurate and well-calibrated (the prediction confidence should align with its ground truth correctness likelihood). Nowadays, fine-tuning has become the most popular method for adapting a model to practical usage by significantly increasing accuracy on downstream tasks. Despite the great accuracy it achieves, we found fine-tuning is still far away from satisfactory trustworthiness due to "tuning-induced mis-calibration". In this paper, we delve deeply into why and how mis-calibration exists in fine-tuned models, and how distillation can alleviate the issue. Then we further propose a brand new method named Efficient Trustworthy Distillation (FIRST), which utilizes a small portion of teacher's knowledge to obtain a reliable language model in a cost-efficient way. Specifically, we identify the "concentrated knowledge" phenomenon during distillation, which can significantly reduce the computational burden. Then we apply a "trustworthy maximization" process to optimize the utilization of this small portion of concentrated knowledge before transferring it to the student. Experimental results demonstrate the effectiveness of our method, where better accuracy (+2.3%) and less mis-calibration (-10%) are achieved on average across both in-domain and out-of-domain scenarios, indicating better trustworthiness.

As large language models (LLMs) are deployed in consequential settings such as medical question answering and legal reasoning, the ability to estimate when their outputs are likely to be correct is essential for safe and reliable use, requiring well-calibrated uncertainty. Standard reinforcement learning with verifiable rewards (RLVR) trains models with a binary correctness reward that is indifferent to confidence, providing no penalty for confident but wrong predictions and thereby degrading calibration. Recent work addresses this by training models to produce verbalized confidence scores alongside answers and rewarding agreement with correctness. However, verbalized confidence is calibrated at the token level and thus exhibits inconsistency across textual variations with same semantic meaning. We propose Calibration with Semantic Reward (CSR), a framework that calibrates language models directly in semantic space without a verbalized confidence interface. CSR combines the correctness reward with a novel semantic calibration reward that encourages exploitation among correct rollouts by promoting semantic agreement, and exploration among incorrect ones by discouraging spurious consistency. Experiments across three model families on HotpotQA (in-distribution) and TriviaQA, MSMARCO, and NQ-Open (out-of-distribution) show that CSR consistently achieves lower ECE and higher AUROC than verbalized-confidence baselines across nearly all settings, reducing ECE by up to 40% and improving AUROC by up to 31% over verbalized-confidence baselines, with calibration behavior generalizing robustly across all four evaluation settings.

Progress in large language models is constrained by an evaluation bottleneck: build a benchmark, evaluate models and settings, then iterate. We therefore ask a simple question: can we forecast outcomes before running any experiments? We study text-only performance forecasting: estimating a model's score from a redacted task description and intended configuration, with no access to dataset instances. To support systematic study, we curate PRECOG, a corpus of redacted description-performance pairs spanning diverse tasks, domains, and metrics. Experiments show the task is challenging but feasible: models equipped with a retrieval module that excludes source papers achieve moderate prediction performance with well-calibrated uncertainty, reaching mean absolute error as low as 8.7 on the Accuracy subset at high-confidence thresholds. Our analysis indicates that stronger reasoning models engage in diverse, iterative querying, whereas current open-source models lag and often skip retrieval or gather evidence with limited diversity. We further test a zero-leakage setting, forecasting on newly released datasets or experiments before their papers are indexed, where GPT-5 with built-in web search still attains nontrivial prediction accuracy. Overall, our corpus and analyses offer an initial step toward open-ended anticipatory evaluation, supporting difficulty estimation and smarter experiment prioritization.

In standard adversarial training, models are optimized to fit one-hot labels within allowable adversarial perturbation budgets. However, the ignorance of underlying distribution shifts brought by perturbations causes the problem of robust overfitting. To address this issue and enhance adversarial robustness, we analyze the characteristics of robust models and identify that robust models tend to produce smoother and well-calibrated outputs. Based on the observation, we propose a simple yet effective method, Annealing Self-Distillation Rectification (ADR), which generates soft labels as a better guidance mechanism that accurately reflects the distribution shift under attack during adversarial training. By utilizing ADR, we can obtain rectified distributions that significantly improve model robustness without the need for pre-trained models or extensive extra computation. Moreover, our method facilitates seamless plug-and-play integration with other adversarial training techniques by replacing the hard labels in their objectives. We demonstrate the efficacy of ADR through extensive experiments and strong performances across datasets.

Despite the much discussed capabilities of today's language models, they are still prone to silly and unexpected commonsense failures. We consider a retrospective verification approach that reflects on the correctness of LM outputs, and introduce Vera, a general-purpose model that estimates the plausibility of declarative statements based on commonsense knowledge. Trained on ~7M commonsense statements created from 19 QA datasets and two large-scale knowledge bases, and with a combination of three training objectives, Vera is a versatile model that effectively separates correct from incorrect statements across diverse commonsense domains. When applied to solving commonsense problems in the verification format, Vera substantially outperforms existing models that can be repurposed for commonsense verification, and it further exhibits generalization capabilities to unseen tasks and provides well-calibrated outputs. We find that Vera excels at filtering LM-generated commonsense knowledge and is useful in detecting erroneous commonsense statements generated by models like ChatGPT in real-world settings.

With increased power and prevalence of AI systems, it is ever more critical that AI systems are designed to serve all, i.e., people with diverse values and perspectives. However, aligning models to serve pluralistic human values remains an open research question. In this piece, we propose a roadmap to pluralistic alignment, specifically using language models as a test bed. We identify and formalize three possible ways to define and operationalize pluralism in AI systems: 1) Overton pluralistic models that present a spectrum of reasonable responses; 2) Steerably pluralistic models that can steer to reflect certain perspectives; and 3) Distributionally pluralistic models that are well-calibrated to a given population in distribution. We also propose and formalize three possible classes of pluralistic benchmarks: 1) Multi-objective benchmarks, 2) Trade-off steerable benchmarks, which incentivize models to steer to arbitrary trade-offs, and 3) Jury-pluralistic benchmarks which explicitly model diverse human ratings. We use this framework to argue that current alignment techniques may be fundamentally limited for pluralistic AI; indeed, we highlight empirical evidence, both from our own experiments and from other work, that standard alignment procedures might reduce distributional pluralism in models, motivating the need for further research on pluralistic alignment.

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.

Major cloud providers have employed advanced AI-based solutions like large language models to aid humans in identifying the root causes of cloud incidents. Despite the growing prevalence of AI-driven assistants in the root cause analysis process, their effectiveness in assisting on-call engineers is constrained by low accuracy due to the intrinsic difficulty of the task, a propensity for LLM-based approaches to hallucinate, and difficulties in distinguishing these well-disguised hallucinations. To address this challenge, we propose to perform confidence estimation for the predictions to help on-call engineers make decisions on whether to adopt the model prediction. Considering the black-box nature of many LLM-based root cause predictors, fine-tuning or temperature-scaling-based approaches are inapplicable. We therefore design an innovative confidence estimation framework based on prompting retrieval-augmented large language models (LLMs) that demand a minimal amount of information from the root cause predictor. This approach consists of two scoring phases: the LLM-based confidence estimator first evaluates its confidence in making judgments in the face of the current incident that reflects its ``grounded-ness" level in reference data, then rates the root cause prediction based on historical references. An optimization step combines these two scores for a final confidence assignment. We show that our method is able to produce calibrated confidence estimates for predicted root causes, validate the usefulness of retrieved historical data and the prompting strategy as well as the generalizability across different root cause prediction models. Our study takes an important move towards reliably and effectively embedding LLMs into cloud incident management systems.

We propose Dataset Reinforcement, a strategy to improve a dataset once such that the accuracy of any model architecture trained on the reinforced dataset is improved at no additional training cost for users. We propose a Dataset Reinforcement strategy based on data augmentation and knowledge distillation. Our generic strategy is designed based on extensive analysis across CNN- and transformer-based models and performing large-scale study of distillation with state-of-the-art models with various data augmentations. We create a reinforced version of the ImageNet training dataset, called ImageNet+, as well as reinforced datasets CIFAR-100+, Flowers-102+, and Food-101+. Models trained with ImageNet+ are more accurate, robust, and calibrated, and transfer well to downstream tasks (e.g., segmentation and detection). As an example, the accuracy of ResNet-50 improves by 1.7% on the ImageNet validation set, 3.5% on ImageNetV2, and 10.0% on ImageNet-R. Expected Calibration Error (ECE) on the ImageNet validation set is also reduced by 9.9%. Using this backbone with Mask-RCNN for object detection on MS-COCO, the mean average precision improves by 0.8%. We reach similar gains for MobileNets, ViTs, and Swin-Transformers. For MobileNetV3 and Swin-Tiny we observe significant improvements on ImageNet-R/A/C of up to 10% improved robustness. Models pretrained on ImageNet+ and fine-tuned on CIFAR-100+, Flowers-102+, and Food-101+, reach up to 3.4% improved accuracy.

Chinese Spelling Correction (CSC) commonly lacks large-scale high-quality corpora, due to the labor-intensive labeling of spelling errors in real-life human writing or typing scenarios. Two data augmentation methods are widely adopted: (1) Random Replacement with the guidance of confusion sets and (2) OCR/ASR-based Generation that simulates character misusing. However, both methods inevitably introduce noisy data (e.g., false spelling errors), potentially leading to over-correction. By carefully analyzing the two types of corpora, we find that though the latter achieves more robust generalization performance, the former yields better-calibrated CSC models. We then provide a theoretical analysis of this empirical observation, based on which a corpus refining strategy is proposed. Specifically, OCR/ASR-based data samples are fed into a well-calibrated CSC model trained on random replacement-based corpora and then filtered based on prediction confidence. By learning a simple BERT-based model on the refined OCR/ASR-based corpus, we set up impressive state-of-the-art performance on three widely-used benchmarks, while significantly alleviating over-correction (e.g., lowering false positive predictions).

Due to depth ambiguities and occlusions, lifting 2D poses to 3D is a highly ill-posed problem. Well-calibrated distributions of possible poses can make these ambiguities explicit and preserve the resulting uncertainty for downstream tasks. This study shows that previous attempts, which account for these ambiguities via multiple hypotheses generation, produce miscalibrated distributions. We identify that miscalibration can be attributed to the use of sample-based metrics such as minMPJPE. In a series of simulations, we show that minimizing minMPJPE, as commonly done, should converge to the correct mean prediction. However, it fails to correctly capture the uncertainty, thus resulting in a miscalibrated distribution. To mitigate this problem, we propose an accurate and well-calibrated model called Conditional Graph Normalizing Flow (cGNFs). Our model is structured such that a single cGNF can estimate both conditional and marginal densities within the same model - effectively solving a zero-shot density estimation problem. We evaluate cGNF on the Human~3.6M dataset and show that cGNF provides a well-calibrated distribution estimate while being close to state-of-the-art in terms of overall minMPJPE. Furthermore, cGNF outperforms previous methods on occluded joints while it remains well-calibrated.

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.

The pre-trained multi-lingual XLSR model generalizes well for language identification after fine-tuning on unseen languages. However, the performance significantly degrades when the languages are not very distinct from each other, for example, in the case of dialects. Low resource dialect classification remains a challenging problem to solve. We present a new data augmentation method that leverages model training dynamics of individual data points to improve sampling for latent mixup. The method works well in low-resource settings where generalization is paramount. Our datamaps-based mixup technique, which we call Map-Mix improves weighted F1 scores by 2% compared to the random mixup baseline and results in a significantly well-calibrated model. The code for our method is open sourced on https://github.com/skit-ai/Map-Mix.

Vision-language models (VLMs) have advanced rapidly, yet their capacity for image-grounded geolocation in open-world conditions, a task that is challenging and of demand in real life, has not been comprehensively evaluated. We present EarthWhere, a comprehensive benchmark for VLM image geolocation that evaluates visual recognition, step-by-step reasoning, and evidence use. EarthWhere comprises 810 globally distributed images across two complementary geolocation scales: WhereCountry (i.e., 500 multiple-choice question-answering, with country-level answer and panoramas) and WhereStreet (i.e., 310 fine-grained street-level identification tasks requiring multi-step reasoning with optional web search). For evaluation, we adopt the final-prediction metrics: location accuracies within k km (Acc@k) for coordinates and hierarchical path scores for textual localization. Beyond this, we propose to explicitly score intermediate reasoning chains using human-verified key visual clues and a Shapley-reweighted thinking score that attributes credit to each clue's marginal contribution. We benchmark 13 state-of-the-art VLMs with web searching tools on our EarthWhere and report different types of final answer accuracies as well as the calibrated model thinking scores. Overall, Gemini-2.5-Pro achieves the best average accuracy at 56.32%, while the strongest open-weight model, GLM-4.5V, reaches 34.71%. We reveal that web search and reasoning do not guarantee improved performance when visual clues are limited, and models exhibit regional biases, achieving up to 42.7% higher scores in certain areas than others. These findings highlight not only the promise but also the persistent challenges of models to mitigate bias and achieve robust, fine-grained localization. We open-source our benchmark at https://github.com/UCSC-VLAA/EarthWhere.

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 medical image classification requires accurate predictions and well-calibrated uncertainty estimates, especially in high-stakes clinical settings. This work presents MedSymmFlow, a generative-discriminative hybrid model built on Symmetrical Flow Matching, designed to unify classification, generation, and uncertainty quantification in medical imaging. MedSymmFlow leverages a latent-space formulation that scales to high-resolution inputs and introduces a semantic mask conditioning mechanism to enhance diagnostic relevance. Unlike standard discriminative models, it naturally estimates uncertainty through its generative sampling process. The model is evaluated on four MedMNIST datasets, covering a range of modalities and pathologies. The results show that MedSymmFlow matches or exceeds the performance of established baselines in classification accuracy and AUC, while also delivering reliable uncertainty estimates validated by performance improvements under selective prediction.

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.

Detecting content that contradicts or is unsupported by a given source text is a critical challenge for the safe deployment of generative language models. We introduce HALT-RAG, a post-hoc verification system designed to identify hallucinations in the outputs of Retrieval-Augmented Generation (RAG) pipelines. Our flexible and task-adaptable framework uses a universal feature set derived from an ensemble of two frozen, off-the-shelf Natural Language Inference (NLI) models and lightweight lexical signals. These features are used to train a simple, calibrated, and task-adapted meta-classifier. Using a rigorous 5-fold out-of-fold (OOF) training protocol to prevent data leakage and produce unbiased estimates, we evaluate our system on the HaluEval benchmark. By pairing our universal feature set with a lightweight, task-adapted classifier and a precision-constrained decision policy, HALT-RAG achieves strong OOF F1-scores of 0.7756, 0.9786, and 0.7391 on the summarization, QA, and dialogue tasks, respectively. The system's well-calibrated probabilities enable a practical abstention mechanism, providing a reliable tool for balancing model performance with safety requirements.

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.

We present StateSMix, a fully self-contained lossless compressor that couples an online-trained Mamba-style State Space Model (SSM) with sparse n-gram context mixing and arithmetic coding. The model is initialised from scratch and trained token-by-token on the file being compressed, requiring no pre-trained weights, no GPU, and no external dependencies. The SSM (DM=32, NL=2, approximately 120K active parameters per file) provides a continuously-updated probability estimate over BPE tokens, while nine sparse n-gram hash tables (bigram through 32-gram, 16M slots each) add exact local and long-range pattern memorisation via a softmax-invariant logit-bias mechanism that updates only non-zero-count tokens. An entropy-adaptive scaling mechanism modulates the n-gram contribution based on the SSM's predictive confidence, preventing over-correction when the neural model is already well-calibrated. On the standard enwik8 benchmark, StateSMix achieves 2.123 bpb on 1 MB, 2.149 bpb on 3 MB, and 2.162 bpb on 10 MB, beating xz -9e (LZMA2) by 8.7%, 5.4%, and 0.7% respectively. Ablation experiments establish the SSM as the dominant compression engine: it alone accounts for a 46.6% size reduction over a frequency-count baseline and beats xz without any n-gram component, while n-gram tables provide a complementary 4.1% gain through exact context memorisation. OpenMP parallelisation of the training loop yields 1.9x speedup on 4 cores. The system is implemented in pure C with AVX2 SIMD and processes approximately 2,000 tokens per second on commodity x86-64 hardware.

Source-free domain adaptation (SFDA) alleviates the domain discrepancy among data obtained from domains without accessing the data for the awareness of data privacy. However, existing conventional SFDA methods face inherent limitations in medical contexts, where medical data are typically collected from multiple institutions using various equipment. To address this problem, we propose a simple yet effective method, named Uncertainty-aware Adaptive Distillation (UAD) for the multi-source-free unsupervised domain adaptation (MSFDA) setting. UAD aims to perform well-calibrated knowledge distillation from (i) model level to deliver coordinated and reliable base model initialisation and (ii) instance level via model adaptation guided by high-quality pseudo-labels, thereby obtaining a high-performance target domain model. To verify its general applicability, we evaluate UAD on two image-based diagnosis benchmarks among two multi-centre datasets, where our method shows a significant performance gain compared with existing works. The code is available at https://github.com/YXSong000/UAD.

Authorship verification (AV) is the task of determining whether two texts were written by the same author. In a forensic context, the strength of AV evidence can be quantified using likelihood ratios. Most AV methods are score-based and deriving well-calibrated likelihood ratios from these scores requires a separate calibration model. This, in turn, requires additional amounts of case-relevant data, which is often time-consuming to obtain and prepare. This study proposes two novel normalisation techniques, the Square Root Correction and the Hapax Correction, for deriving likelihood ratios from the AV method LambdaG without the need of a calibration model (Nini et al. 2026). These corrections are designed to mitigate the overestimation of evidential strength that may result from long or highly repetitive texts. Performance is evaluated against logistic regression calibration across fifteen corpora and a range of text lengths (100-9,500 tokens), using the log-likelihood ratio cost (Cllr). The proposed methods achieve performance comparable to logistic regression calibration, with the Hapax Correction outperforming it in approximately 45% of tests (weighted by corpora). Furthermore, performance was more frequently close (within 5%) when the Hapax Correction was outperformed by logistic regression calibration, compared with the reverse comparison. Eliminating the need to train a calibration model reduces data-requirements, time and complexity, thereby increasing the accessibility and transparency of forensic text comparison. This combination of empirical performance and practical advantages supports the adoption of the proposed methods in forensic settings.

Proofreading--correcting segmentation errors in 3D brain reconstructions--is the rate-limiting step in synapse-resolution connectomics. We release ConnectomeBench2, a unified multi-species dataset of over 716,485 expert-labeled proofreading decisions with >4,500,000 associated images spanning four major open connectomes (mouse, human, zebrafish, fly), spanning both split and merge error correction. Trained on this dataset, a single Vision Transformer with shared encoders for mesh geometry and electron microscopy reaches human-level accuracy across species for split error correction and merge error identification, with performance scaling with data size and modality. Beyond accuracy, we show that the model is well-calibrated within distribution, that measures of distribution distance predict where calibration and accuracy will degrade on unseen data, and that connectomics-specific pretraining and active learning-based sample selection show potential to substantially reduce the labeling effort needed to extend to new species and brain regions. The benchmark provides the infrastructure to train and evaluate increasingly capable vision models for connectomic proofreading. Data and code availability. The ConnectomeBench2 dataset is released on Hugging Face at https://huggingface.co/datasets/jeffbbrown2/ConnectomeBench2. The accompanying codebase is available on GitHub at https://github.com/timfarkas/ConnectomeBench2.

As AI assistants serve millions of users daily, evaluating user experience (UX) beyond general model capability has become increasingly important. We present UXBench, the first user-centric benchmark grounded in real user feedback signals for evaluating preference alignment and dialogue generation. The benchmark consists of three interconnected tasks, UX Judge, UX Eval, and UX Recovery, with 7,400 test instances extracted from over 70K interaction logs of a mainstream Chinese AI assistant. The dataset closely reflects real user distributions, covering 8 scenarios, 83 domains, and diverse failure patterns that pose severe challenges. Extensive experiments on 26 frontier language models provide novel insights into how well models perceive user experience and how improvements in model capability contribute to better dialogue engagement. Through comprehensive analysis of model behavior and performance gaps, we show that user feedback prediction is a learnable capability, where a reward model trained from in-the-wild feedback signals can achieve well-calibrated accuracy. We further document the systematic biases of LLM-as-a-judge evaluation protocols and compare typical response strategies that directly affect user experience. UXBench establishes a new evaluation landscape and calls for greater attention to tailored UX optimization, contributing to a user-centric scaling law that shapes the success of AI assistants.

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.

We introduce MentalBench, a benchmark for evaluating psychiatric diagnostic decision-making in large language models (LLMs). Existing mental health benchmarks largely rely on social media data, limiting their ability to assess DSM-grounded diagnostic judgments. At the core of MentalBench is MentalKG, a psychiatrist-built and validated knowledge graph encoding DSM-5 diagnostic criteria and differential diagnostic rules for 23 psychiatric disorders. Using MentalKG as a golden-standard logical backbone, we generate 24,750 synthetic clinical cases that systematically vary in information completeness and diagnostic complexity, enabling low-noise and interpretable evaluation. Our experiments show that while state-of-the-art LLMs perform well on structured queries probing DSM-5 knowledge, they struggle to calibrate confidence in diagnostic decision-making when distinguishing between clinically overlapping disorders. These findings reveal evaluation gaps not captured by existing benchmarks.

This article explores the usage of the state-of-art neural network Mask R-CNN to be used for window detection of texture files from the CityGML model of Berlin. As texture files are very irregular in terms of size, exposure settings and orientation, we use several parameter optimisation methods to improve the precision. Those textures are cropped from aerial photos, which implies that the angle of the facade, the exposure as well as contrast are calibrated towards the mean and not towards the single facade. The analysis of a single texture image with the human eye itself is challenging: A combination of window and facade estimation and perspective analysis is necessary in order to determine the facades and windows. We train and detect bounding boxes and masks from two data sets with image size 128 and 256. We explore various configuration optimisation methods and the relation of the Region Proposal Network, detected ROIs and the mask output. Our final results shows that the we can improve the average precision scores for both data set sizes, yet the initial AP score varies and leads to different resulting scores.

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.

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.

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.

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 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.

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.

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.

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.

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

Model calibration measures the agreement between the predicted probability estimates and the true correctness likelihood. Proper model calibration is vital for high-risk applications. Unfortunately, modern deep neural networks are poorly calibrated, compromising trustworthiness and reliability. Medical image segmentation particularly suffers from this due to the natural uncertainty of tissue boundaries. This is exasperated by their loss functions, which favor overconfidence in the majority classes. We address these challenges with DOMINO, a domain-aware model calibration method that leverages the semantic confusability and hierarchical similarity between class labels. Our experiments demonstrate that our DOMINO-calibrated deep neural networks outperform non-calibrated models and state-of-the-art morphometric methods in head image segmentation. Our results show that our method can consistently achieve better calibration, higher accuracy, and faster inference times than these methods, especially on rarer classes. This performance is attributed to our domain-aware regularization to inform semantic model calibration. These findings show the importance of semantic ties between class labels in building confidence in deep learning models. The framework has the potential to improve the trustworthiness and reliability of generic medical image segmentation models. The code for this article is available at: https://github.com/lab-smile/DOMINO.

Post-training model compression is essential for enhancing the portability of Large Language Models (LLMs) while preserving their performance. While several compression approaches have been proposed, less emphasis has been placed on selecting the most suitable set of data (the so-called calibration data) for finding the compressed model configuration. The choice of calibration data is a critical step in preserving model capabilities both intra- and inter-tasks. In this work, we address the challenge of identifying high-performance calibration sets for both pruning and quantization by analyzing intrinsic data properties rather than model-specific signals. We introduce \textbf{ZipCal}, a model-agnostic data curation strategy that maximizes lexical diversity based on Zipfian power laws. Experiments demonstrate that our method consistently outperforms standard uniform random sampling across various pruning benchmarks. Notably, it also performs on par, in terms of downstream performance, with a state-of-the-art method that relies on model perplexity. The latter becomes prohibitively expensive at large-scale models and datasets, while \textbf{ZipCal} is on average sim240times faster due to its tractable linear complexityWe make the code and the experiments available at https://anonymous.4open.science/r/zipcal-71CD/..

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.

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.

Modern Transformer-based models frequently suffer from miscalibration, producing overconfident predictions that do not reflect true empirical frequencies. This work investigates the calibration dynamics of LoRA: Low-Rank Adaptation and a novel hyper-network-based adaptation framework as parameter-efficient alternatives to full fine-tuning for RoBERTa. Evaluating across the GLUE benchmark, we demonstrate that LoRA-based adaptation consistently achieves calibration parity with (and in specific tasks exceeds) full fine-tuning, while maintaining significantly higher parameter efficiency. We further explore a dynamic approach where a shared hyper-network generates LoRA factors (A and B matrices) to induce structural coupling across layers. This approach produced results similar to standard LoRA fine-tuning, even achieving better MCC on CoLA dataset. Our study also reveal a critical trade-off: constraining the adaptation space (e.g., freezing matrices A) acts as a powerful regularizer that enhances Expected Calibration Error (ECE), but necessitates a carefully balanced sacrifice in downstream task accuracy. To support future research, we provide a unified and reproducible implementation of contemporary calibration metrics, including ECE, MCE, and ACE. Our findings clarify the relationship between parameter efficiency and probabilistic reliability, positioning structured low-rank updates as a viable foundation for uncertainty-aware Transformer architectures. Code available at: https://github.com/btrojan-official/HypeLoRA

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.

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.

We present AnyCalib, a method for calibrating the intrinsic parameters of a camera from a single in-the-wild image, that is agnostic to the camera model. Current methods are predominantly tailored to specific camera models and/or require extrinsic cues, such as the direction of gravity, to be visible in the image. In contrast, we argue that the perspective and distortion cues inherent in images are sufficient for model-agnostic camera calibration. To demonstrate this, we frame the calibration process as the regression of the rays corresponding to each pixel. We show, for the first time, that this intermediate representation allows for a closed-form recovery of the intrinsics for a wide range of camera models, including but not limited to: pinhole, Brown-Conrady and Kannala-Brandt. Our approach also applies to edited -- cropped and stretched -- images. Experimentally, we demonstrate that AnyCalib consistently outperforms alternative methods, including 3D foundation models, despite being trained on orders of magnitude less data. Code is available at https://github.com/javrtg/AnyCalib.

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.

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.

Despite the impressive generalization capabilities of deep neural networks, they have been repeatedly shown to be overconfident when they are wrong. Fixing this issue is known as model calibration, and has consequently received much attention in the form of modified training schemes and post-training calibration procedures such as temperature scaling. While temperature scaling is frequently used because of its simplicity, it is often outperformed by modified training schemes. In this work, we identify a specific bottleneck for the performance of temperature scaling. We show that for empirical risk minimizers for a general set of distributions in which the supports of classes have overlaps, the performance of temperature scaling degrades with the amount of overlap between classes, and asymptotically becomes no better than random when there are a large number of classes. On the other hand, we prove that optimizing a modified form of the empirical risk induced by the Mixup data augmentation technique can in fact lead to reasonably good calibration performance, showing that training-time calibration may be necessary in some situations. We also verify that our theoretical results reflect practice by showing that Mixup significantly outperforms empirical risk minimization (with respect to multiple calibration metrics) on image classification benchmarks with class overlaps introduced in the form of label noise.

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.

Training terminal agents requires executable and verifiable tasks that are not merely solvable, but appropriately challenging for learning. Executable validation establishes feasibility, yet does not reveal how a task behaves relative to a given solver setting. In this paper, we present CalibForge, an autonomous terminal-task synthesis system that uses verified solver behavior to revise candidate tasks through adversarial solver calibration. Multi-solver calibration targets disagreement within a heterogeneous solver pool, whereas contrastive solver calibration targets a designated strong-pass/weak-fail relation; both operationalize a solver-relative learnable zone anchored in demonstrated solvability. Using CalibForge, we construct 5,431 calibrated terminal tasks. Our ablations show that both strategies yield more effective supervision than authoring and validation alone or ordinary single-solver feedback. Models trained on the full collection achieve 32.58% and 47.57% on Terminal-Bench 2.0. The largest improvements over the corresponding base model reach 24.71 percentage points on Terminal-Bench 2.0, 27.68 points on SWE-bench Pro, and 30.04 points on Doc2Repo. Together, these results support solver-relative learnability as a practical target for constructing effective and transferable agent training data.

Recently, diffusion probabilistic models (DPMs) have achieved promising results in diverse generative tasks. A typical DPM framework includes a forward process that gradually diffuses the data distribution and a reverse process that recovers the data distribution from time-dependent data scores. In this work, we observe that the stochastic reverse process of data scores is a martingale, from which concentration bounds and the optional stopping theorem for data scores can be derived. Then, we discover a simple way for calibrating an arbitrary pretrained DPM, with which the score matching loss can be reduced and the lower bounds of model likelihood can consequently be increased. We provide general calibration guidelines under various model parametrizations. Our calibration method is performed only once and the resulting models can be used repeatedly for sampling. We conduct experiments on multiple datasets to empirically validate our proposal. Our code is at https://github.com/thudzj/Calibrated-DPMs.

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.

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

Large language models (LLMs) offer powerful capabilities but incur substantial computational costs, driving the need for efficient compression techniques. This study evaluates the impact of popular compression methods - Magnitude Pruning, SparseGPT, and Wanda - on the LLaMA-2-7B model, focusing on the trade-offs between model size reduction, downstream task performance, and the role of calibration data. Our findings reveal that while SparseGPT and Wanda preserve perplexity even at 50% sparsity, they suffer significant degradation on downstream tasks, highlighting the inadequacy of perplexity as the sole evaluation metric. To address this, we introduce Jensen-Shannon (JS) Divergence as a more comprehensive metric that captures nuanced changes in model behavior post-compression. We further demonstrate that task-specific calibration data significantly enhances the downstream performance of compressed models compared to general calibration data. This research underscores the necessity for diverse evaluation metrics and careful calibration data selection to fully understand the complexities of LLM compression and its implications for practical applications.

Model calibration aims to align confidence with prediction correctness. The Cross-Entropy (CE) loss is widely used for calibrator training, which enforces the model to increase confidence on the ground truth class. However, we find the CE loss has intrinsic limitations. For example, for a narrow misclassification, a calibrator trained by the CE loss often produces high confidence on the wrongly predicted class (e.g., a test sample is wrongly classified and its softmax score on the ground truth class is around 0.4), which is undesirable. In this paper, we propose a new post-hoc calibration objective derived from the aim of calibration. Intuitively, the proposed objective function asks that the calibrator decrease model confidence on wrongly predicted samples and increase confidence on correctly predicted samples. Because a sample itself has insufficient ability to indicate correctness, we use its transformed versions (e.g., rotated, greyscaled and color-jittered) during calibrator training. Trained on an in-distribution validation set and tested with isolated, individual test samples, our method achieves competitive calibration performance on both in-distribution and out-of-distribution test sets compared with the state of the art. Further, our analysis points out the difference between our method and commonly used objectives such as CE loss and mean square error loss, where the latters sometimes deviates from the calibration aim.

We propose MCGrad, a novel and scalable multicalibration algorithm. Multicalibration - calibration in subgroups of the data - is an important property for the performance of machine learning-based systems. Existing multicalibration methods have thus far received limited traction in industry. We argue that this is because existing methods (1) require such subgroups to be manually specified, which ML practitioners often struggle with, (2) are not scalable, or (3) may harm other notions of model performance such as log loss and Area Under the Precision-Recall Curve (PRAUC). MCGrad does not require explicit specification of protected groups, is scalable, and often improves other ML evaluation metrics instead of harming them. MCGrad has been in production at Meta, and is now part of hundreds of production models. We present results from these deployments as well as results on public datasets. We provide an open source implementation of MCGrad at https://github.com/facebookincubator/MCGrad.

Camera calibration involves estimating camera parameters to infer geometric features from captured sequences, which is crucial for computer vision and robotics. However, conventional calibration is laborious and requires dedicated collection. Recent efforts show that learning-based solutions have the potential to be used in place of the repeatability works of manual calibrations. Among these solutions, various learning strategies, networks, geometric priors, and datasets have been investigated. In this paper, we provide a comprehensive survey of learning-based camera calibration techniques, by analyzing their strengths and limitations. Our main calibration categories include the standard pinhole camera model, distortion camera model, cross-view model, and cross-sensor model, following the research trend and extended applications. As there is no unified benchmark in this community, we collect a holistic calibration dataset that can serve as a public platform to evaluate the generalization of existing methods. It comprises both synthetic and real-world data, with images and videos captured by different cameras in diverse scenes. Toward the end of this paper, we discuss the challenges and provide further research directions. To our knowledge, this is the first survey for the learning-based camera calibration (spanned 10 years). The summarized methods, datasets, and benchmarks are available and will be regularly updated at https://github.com/KangLiao929/Awesome-Deep-Camera-Calibration.

We present any4, a learned 4-bit weight quantization solution for large language models (LLMs) providing arbitrary numeric representations without requiring pre-processing of weights or activations. any4 yields higher accuracy compared to other related 4-bit numeric representation types: int4, fp4 and nf4, as evaluated on a range of model sizes, generations and families (Llama 2, Llama 3, Mistral and Mixtral). While any4 does not require preprocessing of weights or activations, it is also competitive with orthogonal techniques that require such preprocessing (e.g., AWQ and GPTQ). We also experiment with any3 and any2 and show competitiveness at lower bits. Additionally, we show that we can calibrate using a single curated diverse sample rather than hundreds of samples from a dataset as done in most quantization approaches. We also open source tinygemm, a latency optimized GPU matrix multiplication library for LLMs, that implements any4 using a GPU-efficient lookup table strategy along with other common quantization methods. We open source our code at https://github.com/facebookresearch/any4 .

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.

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\`.

Existing calibration methods occasionally fail for large field-of-view cameras due to the non-linearity of the underlying problem and the lack of good initial values for all parameters of the used camera model. This might occur because a simpler projection model is assumed in an initial step, or a poor initial guess for the internal parameters is pre-defined. A lot of the difficulties of general camera calibration lie in the use of a forward projection model. We side-step these challenges by first proposing a solver to calibrate the parameters in terms of a back-projection model and then regress the parameters for a target forward model. These steps are incorporated in a robust estimation framework to cope with outlying detections. Extensive experiments demonstrate that our approach is very reliable and returns the most accurate calibration parameters as measured on the downstream task of absolute pose estimation on test sets. The code is released at https://github.com/ylochman/babelcalib.

Following the standard supervised fine-tuning (SFT) paradigm, in-context learning (ICL) has become an efficient approach propelled by the recent advancements in large language models (LLMs), yielding promising performance across various tasks in few-shot data setups. However, both paradigms are prone to suffer from the critical problem of overconfidence (i.e., miscalibration), especially in such limited data setups. In this work, we deliver an in-depth analysis of the behavior across different choices of learning methods from the perspective of both performance and calibration, as well as their interplay. Through extensive controlled experiments, we find that simultaneous gains for both task performance and calibration are difficult to achieve, and the problem of miscalibration exists across all learning methods in low-resource scenarios. To address this challenging trade-off between performance and calibration, we then investigate the potential of self-ensembling techniques applied at different modeling stages (e.g., variations of in-context examples or variations in prompts or different ensembling strategies). We justify the feasibility of self-ensembling on SFT in addition to ICL, to make the predictions more calibrated and have comparable or even better performance. Our work sheds light on which learning paradigm to choose and how to enhance both task performance and calibration of LLMs.

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.

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.

Pruning and quantization form the foundation of model compression for neural networks, enabling efficient inference for large language models (LLMs). Recently, various quantization and pruning techniques have demonstrated state-of-the-art performance in a post-training setting. They rely upon calibration data, a small set of unlabeled examples, to generate layer activations. However, no prior work has systematically investigated how the calibration data impacts the effectiveness of model compression methods. In this paper, we present the first extensive empirical study on the effect of calibration data upon LLM performance. We trial a variety of pruning and quantization methods, tasks, models, and datasets. Surprisingly, we find substantial variations in downstream task performance, contrasting existing work that suggests a greater level of robustness to the calibration data. Finally, we make a series of recommendations for the effective use of calibration data in LLM quantization and pruning.

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.

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.

Emerging 3D geometric foundation models, such as DUSt3R, offer a promising approach for in-the-wild 3D vision tasks. However, due to the high-dimensional nature of the problem space and scarcity of high-quality 3D data, these pre-trained models still struggle to generalize to many challenging circumstances, such as limited view overlap or low lighting. To address this, we propose LoRA3D, an efficient self-calibration pipeline to specialize the pre-trained models to target scenes using their own multi-view predictions. Taking sparse RGB images as input, we leverage robust optimization techniques to refine multi-view predictions and align them into a global coordinate frame. In particular, we incorporate prediction confidence into the geometric optimization process, automatically re-weighting the confidence to better reflect point estimation accuracy. We use the calibrated confidence to generate high-quality pseudo labels for the calibrating views and use low-rank adaptation (LoRA) to fine-tune the models on the pseudo-labeled data. Our method does not require any external priors or manual labels. It completes the self-calibration process on a single standard GPU within just 5 minutes. Each low-rank adapter requires only 18MB of storage. We evaluated our method on more than 160 scenes from the Replica, TUM and Waymo Open datasets, achieving up to 88% performance improvement on 3D reconstruction, multi-view pose estimation and novel-view rendering.

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

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.

Conformal Prediction (CP) controls the prediction uncertainty of classification systems by producing a small prediction set, ensuring a predetermined probability that the true class lies within this set. This is commonly done by defining a score, based on the model predictions, and setting a threshold on this score using a validation set. In this study, we address the problem of CP calibration when we only have access to a calibration set with noisy labels. We show how we can estimate the noise-free conformal threshold based on the noisy labeled data. We derive a finite sample coverage guarantee for uniform noise that remains effective even in tasks with a large number of classes. We dub our approach Noise-Aware Conformal Prediction (NACP). We illustrate the performance of the proposed results on several standard image classification datasets with a large number of classes.

Real-world large-scale datasets are both noisily labeled and class-imbalanced. The issues seriously hurt the generalization of trained models. It is hence significant to address the simultaneous incorrect labeling and class-imbalance, i.e., the problem of learning with noisy labels on long-tailed data. Previous works develop several methods for the problem. However, they always rely on strong assumptions that are invalid or hard to be checked in practice. In this paper, to handle the problem and address the limitations of prior works, we propose a representation calibration method RCAL. Specifically, RCAL works with the representations extracted by unsupervised contrastive learning. We assume that without incorrect labeling and class imbalance, the representations of instances in each class conform to a multivariate Gaussian distribution, which is much milder and easier to be checked. Based on the assumption, we recover underlying representation distributions from polluted ones resulting from mislabeled and class-imbalanced data. Additional data points are then sampled from the recovered distributions to help generalization. Moreover, during classifier training, representation learning takes advantage of representation robustness brought by contrastive learning, which further improves the classifier performance. We derive theoretical results to discuss the effectiveness of our representation calibration. Experiments on multiple benchmarks justify our claims and confirm the superiority of the proposed method.

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.

We consider the issue of calibration in large language models (LLM). Recent studies have found that common interventions such as instruction tuning often result in poorly calibrated LLMs. Although calibration is well-explored in traditional applications, calibrating LLMs is uniquely challenging. These challenges stem as much from the severe computational requirements of LLMs as from their versatility, which allows them to be applied to diverse tasks. Addressing these challenges, we propose THERMOMETER, a calibration approach tailored to LLMs. THERMOMETER learns an auxiliary model, given data from multiple tasks, for calibrating a LLM. It is computationally efficient, preserves the accuracy of the LLM, and produces better-calibrated responses for new tasks. Extensive empirical evaluations across various benchmarks demonstrate the effectiveness of the proposed method.

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.

Given the importance of getting calibrated predictions and reliable uncertainty estimations, various post-hoc calibration methods have been developed for neural networks on standard multi-class classification tasks. However, these methods are not well suited for calibrating graph neural networks (GNNs), which presents unique challenges such as accounting for the graph structure and the graph-induced correlations between the nodes. In this work, we conduct a systematic study on the calibration qualities of GNN node predictions. In particular, we identify five factors which influence the calibration of GNNs: general under-confident tendency, diversity of nodewise predictive distributions, distance to training nodes, relative confidence level, and neighborhood similarity. Furthermore, based on the insights from this study, we design a novel calibration method named Graph Attention Temperature Scaling (GATS), which is tailored for calibrating graph neural networks. GATS incorporates designs that address all the identified influential factors and produces nodewise temperature scaling using an attention-based architecture. GATS is accuracy-preserving, data-efficient, and expressive at the same time. Our experiments empirically verify the effectiveness of GATS, demonstrating that it can consistently achieve state-of-the-art calibration results on various graph datasets for different GNN backbones.

In recent years, the development of robust multi-source models has emerged in the Earth Observation (EO) field. These are models that leverage data from diverse sources to improve predictive accuracy when there is missing data. Despite these advancements, the factors influencing the varying effectiveness of such models remain poorly understood. In this study, we evaluate the predictive performance of six state-of-the-art multi-source models in predicting scenarios where either a single data source is missing or only a single source is available. Our analysis reveals that the efficacy of these models is intricately tied to the nature of the task, the complementarity among data sources, and the model design. Surprisingly, we observe instances where the removal of certain data sources leads to improved predictive performance, challenging the assumption that incorporating all available data is always beneficial. These findings prompt critical reflections on model complexity and the necessity of all collected data sources, potentially shaping the way for more streamlined approaches in EO applications.

Synthetic data generated by large language models has become integral to modern NLP training pipelines, from bootstrapping reasoning capabilities to augmenting instruction-following datasets. While recent work demonstrates successful applications maintaining high external data ratios, systematic understanding of how synthetic data proportion affects model behavior across different scales remains limited. This paper presents a controlled empirical study examining model performance, calibration, and output characteristics when trained on varying synthetic-to-external data ratios. Using the Pythia model suite (410M-12B parameters) across five diverse tasks, we evaluate models after one to three training iterations with synthetic data proportions ranging from 0-50\%. Our key findings include: models maintain stable performance with up to 20\% synthetic data, but degradation accelerates beyond 30\%; larger models (6.9B-12B) show greater robustness to synthetic data than smaller models (410M-1.4B); calibration degradation precedes accuracy loss, providing an early warning signal; and task characteristics matter, with reasoning tasks degrading faster than retrieval tasks under synthetic data training. Importantly, we find that current best practices, such as those employed in STaR and Self-Instruct systems that maintain greater than 80\% external data, operate well within safe regimes identified by our experiments. We provide practical guidance for practitioners on synthetic data budgets based on model scale and task requirements, alongside detailed comparison with concurrent work including Shumailov et al.'s model collapse findings.

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.

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.

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.

Calibrating deep learning models to yield uncertainty-aware predictions is crucial as deep neural networks get increasingly deployed in safety-critical applications. While existing post-hoc calibration methods achieve impressive results on in-domain test datasets, they are limited by their inability to yield reliable uncertainty estimates in domain-shift and out-of-domain (OOD) scenarios. We aim to bridge this gap by proposing DAC, an accuracy-preserving as well as Density-Aware Calibration method based on k-nearest-neighbors (KNN). In contrast to existing post-hoc methods, we utilize hidden layers of classifiers as a source for uncertainty-related information and study their importance. We show that DAC is a generic method that can readily be combined with state-of-the-art post-hoc methods. DAC boosts the robustness of calibration performance in domain-shift and OOD, while maintaining excellent in-domain predictive uncertainty estimates. We demonstrate that DAC leads to consistently better calibration across a large number of model architectures, datasets, and metrics. Additionally, we show that DAC improves calibration substantially on recent large-scale neural networks pre-trained on vast amounts of data.

Significant progress has been made in photo-realistic scene reconstruction over recent years. Various disparate efforts have enabled capabilities such as multi-appearance or large-scale modeling; however, there lacks a welldesigned dataset that can evaluate the holistic progress of scene reconstruction. We introduce a collection of imagery of the Johns Hopkins Homewood Campus, acquired at different seasons, times of day, in multiple elevations, and across a large scale. We perform a multi-stage calibration process, which efficiently recover camera parameters from phone and drone cameras. This dataset can enable researchers to rigorously explore challenges in unconstrained settings, including effects of inconsistent illumination, reconstruction from large scale and from significantly different perspectives, etc.

We propose causal isotonic calibration, a novel nonparametric method for calibrating predictors of heterogeneous treatment effects. Furthermore, we introduce cross-calibration, a data-efficient variant of calibration that eliminates the need for hold-out calibration sets. Cross-calibration leverages cross-fitted predictors and generates a single calibrated predictor using all available data. Under weak conditions that do not assume monotonicity, we establish that both causal isotonic calibration and cross-calibration achieve fast doubly-robust calibration rates, as long as either the propensity score or outcome regression is estimated accurately in a suitable sense. The proposed causal isotonic calibrator can be wrapped around any black-box learning algorithm, providing robust and distribution-free calibration guarantees while preserving predictive performance.

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.

Research has shown that deep networks tend to be overly optimistic about their predictions, leading to an underestimation of prediction errors. Due to the limited nature of data, existing studies have proposed various methods based on model prediction probabilities to bin the data and evaluate calibration error. We propose a more generalized definition of calibration error called Partitioned Calibration Error (PCE), revealing that the key difference among these calibration error metrics lies in how the data space is partitioned. We put forth an intuitive proposition that an accurate model should be calibrated across any partition, suggesting that the input space partitioning can extend beyond just the partitioning of prediction probabilities, and include partitions directly related to the input. Through semantic-related partitioning functions, we demonstrate that the relationship between model accuracy and calibration lies in the granularity of the partitioning function. This highlights the importance of partitioning criteria for training a calibrated and accurate model. To validate the aforementioned analysis, we propose a method that involves jointly learning a semantic aware grouping function based on deep model features and logits to partition the data space into subsets. Subsequently, a separate calibration function is learned for each subset. Experimental results demonstrate that our approach achieves significant performance improvements across multiple datasets and network architectures, thus highlighting the importance of the partitioning function for calibration.

Post-Training Quantization (PTQ) has received significant attention because it requires only a small set of calibration data to quantize a full-precision model, which is more practical in real-world applications in which full access to a large training set is not available. However, it often leads to overfitting on the small calibration dataset. Several methods have been proposed to address this issue, yet they still rely on only the calibration set for the quantization and they do not validate the quantized model due to the lack of a validation set. In this work, we propose a novel meta-learning based approach to enhance the performance of post-training quantization. Specifically, to mitigate the overfitting problem, instead of only training the quantized model using the original calibration set without any validation during the learning process as in previous PTQ works, in our approach, we both train and validate the quantized model using two different sets of images. In particular, we propose a meta-learning based approach to jointly optimize a transformation network and a quantized model through bi-level optimization. The transformation network modifies the original calibration data and the modified data will be used as the training set to learn the quantized model with the objective that the quantized model achieves a good performance on the original calibration data. Extensive experiments on the widely used ImageNet dataset with different neural network architectures demonstrate that our approach outperforms the state-of-the-art PTQ methods.

This paper presents MathBode, a dynamic diagnostic for mathematical reasoning in large language models (LLMs). Instead of one-shot accuracy, MathBode treats each parametric problem as a system: we drive a single parameter sinusoidally and fit first-harmonic responses of model outputs and exact solutions. This yields interpretable, frequency-resolved metrics -- gain (amplitude tracking) and phase (lag) -- that form Bode-style fingerprints. Across five closed-form families (linear solve, ratio/saturation, compound interest, 2x2 linear systems, similar triangles), the diagnostic surfaces systematic low-pass behavior and growing phase lag that accuracy alone obscures. We compare several models against a symbolic baseline that calibrates the instrument (G approx 1, phi approx 0). Results separate frontier from mid-tier models on dynamics, providing a compact, reproducible protocol that complements standard benchmarks with actionable measurements of reasoning fidelity and consistency. We open-source the dataset and code to enable further research and adoption.

In this paper, we present a self-calibrating framework that jointly optimizes camera parameters, lens distortion and 3D Gaussian representations, enabling accurate and efficient scene reconstruction. In particular, our technique enables high-quality scene reconstruction from Large field-of-view (FOV) imagery taken with wide-angle lenses, allowing the scene to be modeled from a smaller number of images. Our approach introduces a novel method for modeling complex lens distortions using a hybrid network that combines invertible residual networks with explicit grids. This design effectively regularizes the optimization process, achieving greater accuracy than conventional camera models. Additionally, we propose a cubemap-based resampling strategy to support large FOV images without sacrificing resolution or introducing distortion artifacts. Our method is compatible with the fast rasterization of Gaussian Splatting, adaptable to a wide variety of camera lens distortion, and demonstrates state-of-the-art performance on both synthetic and real-world datasets.

With the increasing adoption of vision-language models (VLMs) in critical decision-making systems such as healthcare or autonomous driving, the calibration of their uncertainty estimates becomes paramount. Yet, this dimension has been largely underexplored in the VLM test-time prompt-tuning (TPT) literature, which has predominantly focused on improving their discriminative performance. Recent state-of-the-art advocates for enforcing full orthogonality over pairs of text prompt embeddings to enhance separability, and therefore calibration. Nevertheless, as we theoretically show in this work, the inherent gradients from fully orthogonal constraints will strongly push semantically related classes away, ultimately making the model overconfident. Based on our findings, we propose Semantic Orthogonal Calibration (SoC), a Huber-based regularizer that enforces smooth prototype separation while preserving semantic proximity, thereby improving calibration compared to prior orthogonality-based approaches. Across a comprehensive empirical validation, we demonstrate that SoC consistently improves calibration performance, while also maintaining competitive discriminative capabilities.

Improving out-of-distribution (OOD) generalization during in-distribution (ID) adaptation is a primary goal of robust fine-tuning of zero-shot models beyond naive fine-tuning. However, despite decent OOD generalization performance from recent robust fine-tuning methods, confidence calibration for reliable model output has not been fully addressed. This work proposes a robust fine-tuning method that improves both OOD accuracy and confidence calibration simultaneously in vision language models. Firstly, we show that both OOD classification and OOD calibration errors have a shared upper bound consisting of two terms of ID data: 1) ID calibration error and 2) the smallest singular value of the ID input covariance matrix. Based on this insight, we design a novel framework that conducts fine-tuning with a constrained multimodal contrastive loss enforcing a larger smallest singular value, which is further guided by the self-distillation of a moving-averaged model to achieve calibrated prediction as well. Starting from empirical evidence supporting our theoretical statements, we provide extensive experimental results on ImageNet distribution shift benchmarks that demonstrate the effectiveness of our theorem and its practical implementation.

Model overconfidence and poor calibration are common in machine learning and difficult to account for when applying standard empirical risk minimization. In this work, we propose a novel method to alleviate these problems that we call odd-k-out learning (OKO), which minimizes the cross-entropy error for sets rather than for single examples. This naturally allows the model to capture correlations across data examples and achieves both better accuracy and calibration, especially in limited training data and class-imbalanced regimes. Perhaps surprisingly, OKO often yields better calibration even when training with hard labels and dropping any additional calibration parameter tuning, such as temperature scaling. We demonstrate this in extensive experimental analyses and provide a mathematical theory to interpret our findings. We emphasize that OKO is a general framework that can be easily adapted to many settings and a trained model can be applied to single examples at inference time, without significant run-time overhead or architecture changes.

Time series classification (TSC) performance depends not only on architectural design but also on the diversity of input representations. In this work, we propose a scalable multi-scale convolutional framework that systematically integrates structured multi-representation inputs for univariate time series. We introduce two architectures: MRMS-Net, a hierarchical multi-scale convolutional network optimized for robustness and calibration, and LMRMS-Net, a lightweight variant designed for efficiency-aware deployment. In addition, we adapt LiteMV -- originally developed for multivariate inputs -- to operate on multi-representation univariate signals, enabling cross-representation interaction. We evaluate all models across 142 benchmark datasets under a unified experimental protocol. Critical Difference (CD) analysis confirms statistically significant performance differences among the top models. Results show that LiteMV achieves the highest mean accuracy, MRMS-Net provides superior probabilistic calibration (lowest NLL), and LMRMS-Net offers the best efficiency-accuracy tradeoff. Pareto analysis further demonstrates that multi-representation multi-scale modeling yields a flexible design space that can be tuned for accuracy-oriented, calibration-oriented, or resource-constrained settings. These findings establish scalable multi-representation multi-scale learning as a principled and practical direction for modern TSC. Reference implementation of MRMS-Net and LMRMS-Net is available at: https://github.com/alagoz/mrmsnet-tsc