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Jan 21

EpiCaR: Knowing What You Don't Know Matters for Better Reasoning in LLMs

Improving the reasoning abilities of large language models (LLMs) has largely relied on iterative self-training with model-generated data. While effective at boosting accuracy, existing approaches primarily reinforce successful reasoning paths, incurring a substantial calibration cost: models become overconfident and lose the ability to represent uncertainty. This failure has been characterized as a form of model collapse in alignment, where predictive distributions degenerate toward low-variance point estimates. We address this issue by reframing reasoning training as an epistemic learning problem, in which models must learn not only how to reason, but also when their reasoning should be trusted. We propose epistemically-calibrated reasoning (EpiCaR) as a training objective that jointly optimizes reasoning performance and calibration, and instantiate it within an iterative supervised fine-tuning framework using explicit self-evaluation signals. Experiments on Llama-3 and Qwen-3 families demonstrate that our approach achieves Pareto-superiority over standard baselines in both accuracy and calibration, particularly in models with sufficient reasoning capacity (e.g., 3B+). This framework generalizes effectively to OOD mathematical reasoning (GSM8K) and code generation (MBPP). Ultimately, our approach enables a 3X reduction in inference compute, matching the K=30 performance of STaR with only K=10 samples in capable models.

Do Large Language Models Know What They Don't Know? Kalshibench: A New Benchmark for Evaluating Epistemic Calibration via Prediction Markets

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.

  • 1 authors
·
Dec 17, 2025

Experts Don't Cheat: Learning What You Don't Know By Predicting Pairs

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

  • 4 authors
·
Feb 13, 2024

Thinking Out Loud: Do Reasoning Models Know When They're Right?

Large reasoning models (LRMs) have recently demonstrated impressive capabilities in complex reasoning tasks by leveraging increased test-time computation and exhibiting behaviors reminiscent of human-like self-reflection. While LRMs show a clear capacity for valuable self-reflection, how this ability interacts with other model behaviors remains underexplored. We investigate this connection by analyzing verbalized confidence, how models articulate their certainty, as a lens into the nature of self-reflection in LRMs. We find that supervised fine-tuning on reasoning traces (i.e., distillation) and reinforcement learning can improve verbalized calibration in reasoning-intensive settings in a progressive, laddered fashion. However, our results also indicate that reasoning models may possess a diminished awareness of their own knowledge boundaries, as evidenced by significantly lower "I don't know" response rates on factuality benchmarks. Moreover, we examine the relationship between verbalized confidence and reasoning chains, finding that models tend to express higher confidence when providing shorter or less elaborate reasoning. Our findings highlight how reasoning-oriented training can enhance performance in reasoning-centric tasks while potentially incurring a "reasoning tax," a cost reflected in the model's reduced ability to accurately recognize the limits of its own knowledge in small-scale models. More broadly, our work showcases how this erosion of knowledge boundaries can compromise model faithfulness, as models grow more confident without a commensurate understanding of when they should abstain.

  • 4 authors
·
Apr 8, 2025

Beyond Binary Rewards: Training LMs to Reason About Their Uncertainty

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.

  • 7 authors
·
Jul 22, 2025 1

The Confidence Dichotomy: Analyzing and Mitigating Miscalibration in Tool-Use Agents

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.

  • 6 authors
·
Jan 12 2

Systematic Relational Reasoning With Epistemic Graph Neural Networks

Developing models that can learn to reason is a notoriously challenging problem. We focus on reasoning in relational domains, where the use of Graph Neural Networks (GNNs) seems like a natural choice. However, previous work has shown that regular GNNs lack the ability to systematically generalize from training examples on test graphs requiring longer inference chains, which fundamentally limits their reasoning abilities. A common solution relies on neuro-symbolic methods that systematically reason by learning rules, but their scalability is often limited and they tend to make unrealistically strong assumptions, e.g.\ that the answer can always be inferred from a single relational path. We propose the Epistemic GNN (EpiGNN), a novel parameter-efficient and scalable GNN architecture with an epistemic inductive bias for systematic reasoning. Node embeddings in EpiGNNs are treated as epistemic states, and message passing is implemented accordingly. We show that EpiGNNs achieve state-of-the-art results on link prediction tasks that require systematic reasoning. Furthermore, for inductive knowledge graph completion, EpiGNNs rival the performance of state-of-the-art specialized approaches. Finally, we introduce two new benchmarks that go beyond standard relational reasoning by requiring the aggregation of information from multiple paths. Here, existing neuro-symbolic approaches fail, yet EpiGNNs learn to reason accurately. Code and datasets are available at https://github.com/erg0dic/gnn-sg.

  • 2 authors
·
Jul 24, 2024

Thinking with Nothinking Calibration: A New In-Context Learning Paradigm in Reasoning Large Language Models

Reasoning large language models (RLLMs) have recently demonstrated remarkable capabilities through structured and multi-step reasoning. While prior research has primarily focused on improving their training and inference strategies, their potential for in-context learning (ICL) remains largely underexplored. To fill this gap, we propose Thinking with Nothinking Calibration (JointThinking), a new ICL paradigm that leverages the structured difference between two reasoning modes, i.e., Thinking and Nothinking, to improve reasoning accuracy. Specifically, our method prompts the model to generate two answers in parallel: one in Thinking mode and the other in Nothinking mode. A second round of Thinking is triggered only when the two initial responses are inconsistent, using a single prompt that incorporates the original question and both candidate answers. Since such disagreement occurs infrequently (e.g., only 6\% in GSM8K), our method performs just one round of reasoning in most cases, resulting in minimal latency overhead. Extensive experiments across multiple reasoning benchmarks demonstrate that JointThinking significantly outperforms few-shot chain-of-thought (CoT) and majority voting with improved answer robustness. Moreover, It achieves comparable in-distribution performance to training-based SOTA method, while substantially outperforming on out-of-distribution tasks. We further conduct a systematic analysis of the calibration mechanism, showing that leveraging different reasoning modes consistently lowers the error rate and highlights the value of structural thinking diversity. Additionally, we observe that the performance gap between actual and ideal reasoning narrows as model size increases in the second round of thinking, indicating the strong scalability of our approach. Finally, we discuss current limitations and outline promising directions for future ICL research in RLLMs.

  • 5 authors
·
Aug 5, 2025

Post-Hoc Split-Point Self-Consistency Verification for Efficient, Unified Quantification of Aleatoric and Epistemic Uncertainty in Deep Learning

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.

  • 2 authors
·
Sep 16, 2025

CritiCal: Can Critique Help LLM Uncertainty or Confidence Calibration?

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

  • 10 authors
·
Oct 28, 2025 2

SaySelf: Teaching LLMs to Express Confidence with Self-Reflective Rationales

Large language models (LLMs) often generate inaccurate or fabricated information and generally fail to indicate their confidence, which limits their broader applications. Previous work elicits confidence from LLMs by direct or self-consistency prompting, or constructing specific datasets for supervised finetuning. The prompting-based approaches have inferior performance, and the training-based approaches are limited to binary or inaccurate group-level confidence estimates. In this work, we present the advanced SaySelf, a training framework that teaches LLMs to express more accurate fine-grained confidence estimates. In addition, beyond the confidence scores, SaySelf initiates the process of directing LLMs to produce self-reflective rationales that clearly identify gaps in their parametric knowledge and explain their uncertainty. This is achieved by using an LLM to automatically summarize the uncertainties in specific knowledge via natural language. The summarization is based on the analysis of the inconsistency in multiple sampled reasoning chains, and the resulting data is utilized for supervised fine-tuning. Moreover, we utilize reinforcement learning with a meticulously crafted reward function to calibrate the confidence estimates, motivating LLMs to deliver accurate, high-confidence predictions and to penalize overconfidence in erroneous outputs. Experimental results in both in-distribution and out-of-distribution datasets demonstrate the effectiveness of SaySelf in reducing the confidence calibration error and maintaining the task performance. We show that the generated self-reflective rationales are reasonable and can further contribute to the calibration. The code is made public at https://github.com/xu1868/SaySelf.

  • 7 authors
·
May 31, 2024

Belief in the Machine: Investigating Epistemological Blind Spots of Language Models

As language models (LMs) become integral to fields like healthcare, law, and journalism, their ability to differentiate between fact, belief, and knowledge is essential for reliable decision-making. Failure to grasp these distinctions can lead to significant consequences in areas such as medical diagnosis, legal judgments, and dissemination of fake news. Despite this, current literature has largely focused on more complex issues such as theory of mind, overlooking more fundamental epistemic challenges. This study systematically evaluates the epistemic reasoning capabilities of modern LMs, including GPT-4, Claude-3, and Llama-3, using a new dataset, KaBLE, consisting of 13,000 questions across 13 tasks. Our results reveal key limitations. First, while LMs achieve 86% accuracy on factual scenarios, their performance drops significantly with false scenarios, particularly in belief-related tasks. Second, LMs struggle with recognizing and affirming personal beliefs, especially when those beliefs contradict factual data, which raises concerns for applications in healthcare and counseling, where engaging with a person's beliefs is critical. Third, we identify a salient bias in how LMs process first-person versus third-person beliefs, performing better on third-person tasks (80.7%) compared to first-person tasks (54.4%). Fourth, LMs lack a robust understanding of the factive nature of knowledge, namely, that knowledge inherently requires truth. Fifth, LMs rely on linguistic cues for fact-checking and sometimes bypass the deeper reasoning. These findings highlight significant concerns about current LMs' ability to reason about truth, belief, and knowledge while emphasizing the need for advancements in these areas before broad deployment in critical sectors.

  • 7 authors
·
Oct 28, 2024

LACIE: Listener-Aware Finetuning for Confidence Calibration in Large Language Models

When answering questions, LLMs can convey not only an answer, but a level of confidence about the answer being correct. This includes explicit confidence markers (e.g. giving a numeric score) as well as implicit markers, like an authoritative tone or elaborating with additional knowledge. For LLMs to be trustworthy knowledge sources, the confidence they convey should match their actual expertise; however, most current models tend towards overconfidence. To calibrate both implicit and explicit confidence markers, we introduce a pragmatic, listener-aware finetuning method (LACIE) that models the listener, considering not only whether an answer is right, but whether it will be accepted by a listener. We cast calibration as preference optimization, creating data via a two-agent game, where a speaker model's outputs are judged by a simulated listener. We then finetune three LLMs (Mistral-7B, Llama3-8B, Llama3-70B) with LACIE, and show that the resulting models are better calibrated w.r.t. a simulated listener. Crucially, these trends transfer to human listeners, helping them correctly predict model correctness: we conduct a human evaluation where annotators accept or reject an LLM's answers, finding that training with LACIE results in 47% fewer incorrect answers being accepted while maintaining the same level of acceptance for correct answers. Furthermore, LACIE generalizes to another dataset, resulting in a large increase in truthfulness on TruthfulQA when trained on TriviaQA. Our analysis indicates that LACIE leads to a better confidence separation between correct and incorrect examples. Qualitatively, we find that a LACIE-trained model hedges more and implicitly signals certainty when it is correct by using an authoritative tone or including details. Finally, LACIE finetuning leads to an emergent increase in model abstention (e.g. saying "I don't know") for answers that are likely wrong.

  • 3 authors
·
May 31, 2024

SEAL: Steerable Reasoning Calibration of Large Language Models for Free

Large Language Models (LLMs), such as OpenAI's o1-series have demonstrated compelling capabilities for complex reasoning tasks via the extended chain-of-thought (CoT) reasoning mechanism. However, recent studies reveal substantial redundancy in the CoT reasoning traces, which not only increases inference latency but also negatively impacts model performance by diverting attention to unnecessary reasoning paths. To address this issue, we investigate the internal reasoning structures of LLMs and categorize them into three primary thought types: execution, reflection, and transition thoughts. Moreover, our analysis reveals that excessive reflection and transition thoughts are strongly correlated with failure cases and these thought categories exhibit clear separation in the latent space. Based on these, we introduce SEAL (Steerable reasoning calibration), a training-free approach that seamlessly calibrates the CoT process, improving accuracy while demonstrating significant efficiency gains. SEAL consists of an offline stage for extracting the reasoning steering vector in the latent space, followed by an on-the-fly calibration of the reasoning trace through representation intervention using the steering vector. Notably, the steering vector exhibits strong transferability across various tasks. Extensive experiments across multiple models (DeepSeek-R1-Distill and QwQ-32B-Preview) and benchmarks (Math500, GSM8K, LiveCodeBench) validate the effectiveness of SEAL, up to a 11% improvement in accuracy while reducing reasoning tokens by 11.8% to 50.4%. Our code is publicly available at https://github.com/VITA-Group/SEAL.

  • 5 authors
·
Apr 6, 2025

DEUP: Direct Epistemic Uncertainty Prediction

Epistemic Uncertainty is a measure of the lack of knowledge of a learner which diminishes with more evidence. While existing work focuses on using the variance of the Bayesian posterior due to parameter uncertainty as a measure of epistemic uncertainty, we argue that this does not capture the part of lack of knowledge induced by model misspecification. We discuss how the excess risk, which is the gap between the generalization error of a predictor and the Bayes predictor, is a sound measure of epistemic uncertainty which captures the effect of model misspecification. We thus propose a principled framework for directly estimating the excess risk by learning a secondary predictor for the generalization error and subtracting an estimate of aleatoric uncertainty, i.e., intrinsic unpredictability. We discuss the merits of this novel measure of epistemic uncertainty, and highlight how it differs from variance-based measures of epistemic uncertainty and addresses its major pitfall. Our framework, Direct Epistemic Uncertainty Prediction (DEUP) is particularly interesting in interactive learning environments, where the learner is allowed to acquire novel examples in each round. Through a wide set of experiments, we illustrate how existing methods in sequential model optimization can be improved with epistemic uncertainty estimates from DEUP, and how DEUP can be used to drive exploration in reinforcement learning. We also evaluate the quality of uncertainty estimates from DEUP for probabilistic image classification and predicting synergies of drug combinations.

  • 8 authors
·
Feb 16, 2021

Improving Metacognition and Uncertainty Communication in Language Models

Large language models (LLMs) are increasingly used in decision-making contexts, but when they present answers without signaling low confidence, users may unknowingly act on erroneous outputs. Prior work shows that LLMs maintain internal uncertainty signals, yet their expressed confidence is often miscalibrated and poorly discriminates between correct and incorrect answers. We investigate whether supervised fine-tuning can improve models' ability to communicate uncertainty and whether such improvements generalize across tasks and domains. We fine-tune LLMs on datasets spanning general knowledge, mathematics, and open-ended trivia, and evaluate two metacognitive tasks: (1) single-question confidence estimation, where the model assigns a numeric certainty to its answer, and (2) pairwise confidence comparison, where the model selects which of two answers it is more likely to answer correctly. We assess generalization to unseen domains, including medical and legal reasoning. Results show that fine-tuning improves calibration (alignment between stated confidence and accuracy) and discrimination (higher confidence for correct vs. incorrect responses) within and across domains. However, gains are task-specific: training on single-question calibration does not transfer to pairwise comparison, and vice versa. Multitask fine-tuning yields broader gains, lowering calibration error and strengthening discrimination in out-of-domain evaluations. This suggests that uncertainty communication in LLMs is trainable but requires multitask training to generalize effectively.

  • 3 authors
·
Sep 30, 2025

Calibrating Reasoning in Language Models with Internal Consistency

Large language models (LLMs) have demonstrated impressive capabilities in various reasoning tasks, aided by techniques like chain-of-thought (CoT) prompting that elicits verbalized reasoning. However, LLMs often generate text with obvious mistakes and contradictions, raising doubts about their ability to robustly process and utilize generated rationales. In this work, we investigate CoT reasoning in LLMs through the lens of internal representations, focusing on how these representations are influenced by generated rationales. Our preliminary analysis reveals that while generated rationales improve answer accuracy, inconsistencies emerge between the model's internal representations in middle layers and those in final layers, potentially undermining the reliability of their reasoning processes. To address this, we propose internal consistency as a measure of the model's confidence by examining the agreement of latent predictions decoded from intermediate layers. Extensive empirical studies across different models and datasets demonstrate that internal consistency effectively distinguishes between correct and incorrect reasoning paths. Motivated by this, we propose a new approach to calibrate CoT reasoning by up-weighting reasoning paths with high internal consistency, resulting in a significant boost in reasoning performance. Further analysis uncovers distinct patterns in attention and feed-forward modules across layers, providing insights into the emergence of internal inconsistency. In summary, our results demonstrate the potential of using internal representations for self-evaluation of LLMs.

  • 4 authors
·
May 28, 2024

Language Models (Mostly) Know What They Know

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.

  • 36 authors
·
Jul 11, 2022

When Two LLMs Debate, Both Think They'll Win

Can LLMs accurately adjust their confidence when facing opposition? Building on previous studies measuring calibration on static fact-based question-answering tasks, we evaluate Large Language Models (LLMs) in a dynamic, adversarial debate setting, uniquely combining two realistic factors: (a) a multi-turn format requiring models to update beliefs as new information emerges, and (b) a zero-sum structure to control for task-related uncertainty, since mutual high-confidence claims imply systematic overconfidence. We organized 60 three-round policy debates among ten state-of-the-art LLMs, with models privately rating their confidence (0-100) in winning after each round. We observed five concerning patterns: (1) Systematic overconfidence: models began debates with average initial confidence of 72.9% vs. a rational 50% baseline. (2) Confidence escalation: rather than reducing confidence as debates progressed, debaters increased their win probabilities, averaging 83% by the final round. (3) Mutual overestimation: in 61.7% of debates, both sides simultaneously claimed >=75% probability of victory, a logical impossibility. (4) Persistent self-debate bias: models debating identical copies increased confidence from 64.1% to 75.2%; even when explicitly informed their chance of winning was exactly 50%, confidence still rose (from 50.0% to 57.1%). (5) Misaligned private reasoning: models' private scratchpad thoughts sometimes differed from their public confidence ratings, raising concerns about faithfulness of chain-of-thought reasoning. These results suggest LLMs lack the ability to accurately self-assess or update their beliefs in dynamic, multi-turn tasks; a major concern as LLMs are now increasingly deployed without careful review in assistant and agentic roles. Code for our experiments is available at https://github.com/pradyuprasad/llms_overconfidence

  • 2 authors
·
May 25, 2025

ReFIne: A Framework for Trustworthy Large Reasoning Models with Reliability, Faithfulness, and Interpretability

Recent advances in long chain-of-thought (CoT) reasoning have largely prioritized answer accuracy and token efficiency, while overlooking aspects critical to trustworthiness. We argue that usable reasoning systems must be trustworthy, characterized by three properties: interpretability, faithfulness, and reliability. To this end, we propose ReFIne, a new training framework that integrates supervised fine-tuning with GRPO to encourage models to: (i) improve interpretability by producing structured, tag-based traces with high-level planning that are easier for humans to follow; (ii) enhance faithfulness by explicitly disclosing the decisive information guiding each solution, with consistent cross-section references; and (iii) promote reliability by providing self-assessments of both the derivation's soundness and the confidence of the final answer. We apply ReFIne to the Qwen3 models at multiple scales (1.7B/4B/8B) and evaluate across mathematical benchmarks of varying difficulty. Our experimental results show that ReFIne models generate clearer and better-structured reasoning traces (interpretability +44.0%), more faithfully expose their underlying decision process (faithfulness +18.8%), and offer informative confidence estimates (reliability +42.4%). These findings highlight an overlooked but important direction: reasoning models should be optimized not only for accuracy, but also for broader dimensions of trustworthiness. Our code is available at: https://github.com/Trustworthy-ML-Lab/Training_Trustworthy_LRM_with_Refine

  • 4 authors
·
Oct 10, 2025 2

Generalized Correctness Models: Learning Calibrated and Model-Agnostic Correctness Predictors from Historical Patterns

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.

  • 5 authors
·
Sep 29, 2025 2

GPT-4 Doesn't Know It's Wrong: An Analysis of Iterative Prompting for Reasoning Problems

There has been considerable divergence of opinion on the reasoning abilities of Large Language Models (LLMs). While the initial optimism that reasoning might emerge automatically with scale has been tempered thanks to a slew of counterexamples, a wide spread belief in their iterative self-critique capabilities persists. In this paper, we set out to systematically investigate the effectiveness of iterative prompting of LLMs in the context of Graph Coloring, a canonical NP-complete reasoning problem that is related to propositional satisfiability as well as practical problems like scheduling and allocation. We present a principled empirical study of the performance of GPT4 in solving graph coloring instances or verifying the correctness of candidate colorings. In iterative modes, we experiment with the model critiquing its own answers and an external correct reasoner verifying proposed solutions. In both cases, we analyze whether the content of the criticisms actually affects bottom line performance. The study seems to indicate that (i) LLMs are bad at solving graph coloring instances (ii) they are no better at verifying a solution--and thus are not effective in iterative modes with LLMs critiquing LLM-generated solutions (iii) the correctness and content of the criticisms--whether by LLMs or external solvers--seems largely irrelevant to the performance of iterative prompting. We show that the observed increase in effectiveness is largely due to the correct solution being fortuitously present in the top-k completions of the prompt (and being recognized as such by an external verifier). Our results thus call into question claims about the self-critiquing capabilities of state of the art LLMs.

  • 3 authors
·
Oct 18, 2023

Similarity-Distance-Magnitude Universal Verification

We address the neural network robustness problem by adding Similarity (i.e., correctly predicted depth-matches into training)-awareness and Distance-to-training-distribution-awareness to the existing output Magnitude (i.e., decision-boundary)-awareness of the softmax function. The resulting SDM activation function provides strong signals of the relative epistemic (reducible) predictive uncertainty. We use this novel behavior to further address the complementary HCI problem of mapping the output to human-interpretable summary statistics over relevant partitions of a held-out calibration set. Estimates of prediction-conditional uncertainty are obtained via a parsimonious learned transform over the class-conditional empirical CDFs of the output of a final-layer SDM activation function. For decision-making and as an intrinsic model check, estimates of class-conditional accuracy are obtained by further partitioning the high-probability regions of this calibrated output into class-conditional, region-specific CDFs. The uncertainty estimates from SDM calibration are remarkably robust to test-time distribution shifts and out-of-distribution inputs; incorporate awareness of the effective sample size; provide estimates of uncertainty from the learning and data splitting processes; and are well-suited for selective classification and conditional branching for additional test-time compute based on the predictive uncertainty, as for selective LLM generation, routing, and composition over multiple models and retrieval. Finally, we construct SDM networks, LLMs with uncertainty-aware verification and interpretability-by-exemplar as intrinsic properties. We provide open-source software implementing these results.

  • 1 authors
·
Feb 27, 2025

h-calibration: Rethinking Classifier Recalibration with Probabilistic Error-Bounded Objective

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.

  • 6 authors
·
Jun 22, 2025

LYNX: Learning Dynamic Exits for Confidence-Controlled Reasoning

Large reasoning models achieve strong performance on complex tasks by generating extended chains of thought, but they often "overthink": continuing to reason long after they have enough information to answer correctly. This wastes inference-time compute and can hurt accuracy. Existing attempts to stop early either manipulate decoding with extra sampling and heuristics, rely on auxiliary verifier models, or operate only as post-hoc analysis pipelines without formal guarantees. We introduce LYNX, an online early-exit mechanism that turns a model's own hidden-state awareness into confidence-controlled stopping decisions. LYNX attaches exit decisions to naturally occurring reasoning cues (e.g., "hmm", "wait") during generation, trains a lightweight probe on hidden states at those cue tokens using supervision from forced exits, and wraps the resulting scores in split conformal prediction to obtain distribution-free control over premature exits. Crucially, we train and calibrate this probe once on a generic mathematical corpus and reuse it unchanged across benchmarks, decoding temperatures, and even non-mathematical tasks. Across three model families spanning 1.5B to 32B parameters, a single mathematically trained probe per base model yields strong accuracy--efficiency tradeoffs. On GSM8K, LYNX matches or improves baseline accuracy while reducing tokens by 40--65\%; on MATH-500 it improves accuracy by up to 12 points with roughly 35--60\% fewer tokens; on AIME 2024 it recovers baseline accuracy with more than 50\% token savings; and on CommonsenseQA, a non-math benchmark, it transfers zero-shot with modest accuracy gains and up to 70\% fewer tokens. Compared to state-of-the-art early-exit methods, LYNX offers competitive or superior Pareto frontiers while remaining fully online, requiring no proxy models at inference, and providing explicit, user-tunable confidence guarantees.

FormalMATH: Benchmarking Formal Mathematical Reasoning of Large Language Models

Formal mathematical reasoning remains a critical challenge for artificial intelligence, hindered by limitations of existing benchmarks in scope and scale. To address this, we present FormalMATH, a large-scale Lean4 benchmark comprising 5,560 formally verified problems spanning from high-school Olympiad challenges to undergraduate-level theorems across diverse domains (e.g., algebra, applied mathematics, calculus, number theory, and discrete mathematics). To mitigate the inefficiency of manual formalization, we introduce a novel human-in-the-loop autoformalization pipeline that integrates: (1) specialized large language models (LLMs) for statement autoformalization, (2) multi-LLM semantic verification, and (3) negation-based disproof filtering strategies using off-the-shelf LLM-based provers. This approach reduces expert annotation costs by retaining 72.09% of statements before manual verification while ensuring fidelity to the original natural-language problems. Our evaluation of state-of-the-art LLM-based theorem provers reveals significant limitations: even the strongest models achieve only 16.46% success rate under practical sampling budgets, exhibiting pronounced domain bias (e.g., excelling in algebra but failing in calculus) and over-reliance on simplified automation tactics. Notably, we identify a counterintuitive inverse relationship between natural-language solution guidance and proof success in chain-of-thought reasoning scenarios, suggesting that human-written informal reasoning introduces noise rather than clarity in the formal reasoning settings. We believe that FormalMATH provides a robust benchmark for benchmarking formal mathematical reasoning.

  • 13 authors
·
May 5, 2025 1

Mathematical Proof as a Litmus Test: Revealing Failure Modes of Advanced Large Reasoning Models

Large reasoning models (e.g., R1, o3) have demonstrated remarkable mathematical problem-solving abilities. However, the high reported accuracy of these advanced models on popular datasets, reliance on purely numerical evaluation and potential benchmark leakage, often masks their true reasoning shortcomings. To address this, we propose leveraging the inherent rigor and methodological complexity of mathematical proofs as a diagnostic tool to expose these hidden failures. Specifically, we introduce the RFMDataset (Reveal Failure Modes), a collection of 200 diverse mathematical proof problems, and thoroughly evaluate advanced models' performance on it. Our in-depth analysis of their failures uncovers 10 fine-grained error types, which shows fundamental limitations in current large reasoning models: 1) large reasoning models grapple profoundly with mathematical proofs, with some generating entirely correct proofs for less than 20% of problems and failing even on basic ones; 2) models exhibit a diverse spectrum of reasoning failures, prominently demonstrating the lack of guarantees for the correctness and rigor of single-step reasoning; and 3) models show hallucination and incompleteness during the reasoning process. Our findings reveal that models' self-reflection is insufficient to resolve the current logical dilemmas, necessitating formalized and fine-grained logical training.

  • 7 authors
·
Jun 20, 2025

ConfTuner: Training Large Language Models to Express Their Confidence Verbally

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

  • 4 authors
·
Aug 26, 2025

Reasoning with Confidence: Efficient Verification of LLM Reasoning Steps via Uncertainty Heads

Solving complex tasks usually requires LLMs to generate long multi-step reasoning chains. Previous work has shown that verifying the correctness of individual reasoning steps can further improve the performance and efficiency of LLMs on such tasks and enhance solution interpretability. However, existing verification approaches, such as Process Reward Models (PRMs), are either computationally expensive, limited to specific domains, or require large-scale human or model-generated annotations. Thus, we propose a lightweight alternative for step-level reasoning verification based on data-driven uncertainty scores. We train transformer-based uncertainty quantification heads (UHeads) that use the internal states of a frozen LLM to estimate the uncertainty of its reasoning steps during generation. The approach is fully automatic: target labels are generated either by another larger LLM (e.g., DeepSeek R1) or in a self-supervised manner by the original model itself. UHeads are both effective and lightweight, containing less than 10M parameters. Across multiple domains, including mathematics, planning, and general knowledge question answering, they match or even surpass the performance of PRMs that are up to 810x larger. Our findings suggest that the internal states of LLMs encode their uncertainty and can serve as reliable signals for reasoning verification, offering a promising direction toward scalable and generalizable introspective LLMs.

  • 11 authors
·
Nov 8, 2025 2

Efficient Tool Use with Chain-of-Abstraction Reasoning

To achieve faithful reasoning that aligns with human expectations, large language models (LLMs) need to ground their reasoning to real-world knowledge (e.g., web facts, math and physical rules). Tools help LLMs access this external knowledge, but there remains challenges for fine-tuning LLM agents (e.g., Toolformer) to invoke tools in multi-step reasoning problems, where inter-connected tool calls require holistic and efficient tool usage planning. In this work, we propose a new method for LLMs to better leverage tools in multi-step reasoning. Our method, Chain-of-Abstraction (CoA), trains LLMs to first decode reasoning chains with abstract placeholders, and then call domain tools to reify each reasoning chain by filling in specific knowledge. This planning with abstract chains enables LLMs to learn more general reasoning strategies, which are robust to shifts of domain knowledge (e.g., math results) relevant to different reasoning questions. It also allows LLMs to perform decoding and calling of external tools in parallel, which avoids the inference delay caused by waiting for tool responses. In mathematical reasoning and Wiki QA domains, we show that our method consistently outperforms previous chain-of-thought and tool-augmented baselines on both in-distribution and out-of-distribution test sets, with an average ~6% absolute QA accuracy improvement. LLM agents trained with our method also show more efficient tool use, with inference speed being on average ~1.4x faster than baseline tool-augmented LLMs.

  • 10 authors
·
Jan 30, 2024 1

Deliberation on Priors: Trustworthy Reasoning of Large Language Models on Knowledge Graphs

Knowledge graph-based retrieval-augmented generation seeks to mitigate hallucinations in Large Language Models (LLMs) caused by insufficient or outdated knowledge. However, existing methods often fail to fully exploit the prior knowledge embedded in knowledge graphs (KGs), particularly their structural information and explicit or implicit constraints. The former can enhance the faithfulness of LLMs' reasoning, while the latter can improve the reliability of response generation. Motivated by these, we propose a trustworthy reasoning framework, termed Deliberation over Priors (DP), which sufficiently utilizes the priors contained in KGs. Specifically, DP adopts a progressive knowledge distillation strategy that integrates structural priors into LLMs through a combination of supervised fine-tuning and Kahneman-Tversky optimization, thereby improving the faithfulness of relation path generation. Furthermore, our framework employs a reasoning-introspection strategy, which guides LLMs to perform refined reasoning verification based on extracted constraint priors, ensuring the reliability of response generation. Extensive experiments on three benchmark datasets demonstrate that DP achieves new state-of-the-art performance, especially a Hit@1 improvement of 13% on the ComplexWebQuestions dataset, and generates highly trustworthy responses. We also conduct various analyses to verify its flexibility and practicality. The code is available at https://github.com/reml-group/Deliberation-on-Priors.

  • 11 authors
·
May 21, 2025 2

Uncertainty as Feature Gaps: Epistemic Uncertainty Quantification of LLMs in Contextual Question-Answering

Uncertainty Quantification (UQ) research has primarily focused on closed-book factual question answering (QA), while contextual QA remains unexplored, despite its importance in real-world applications. In this work, we focus on UQ for the contextual QA task and propose a theoretically grounded approach to quantify epistemic uncertainty. We begin by introducing a task-agnostic, token-level uncertainty measure defined as the cross-entropy between the predictive distribution of the given model and the unknown true distribution. By decomposing this measure, we isolate the epistemic component and approximate the true distribution by a perfectly prompted, idealized model. We then derive an upper bound for epistemic uncertainty and show that it can be interpreted as semantic feature gaps in the given model's hidden representations relative to the ideal model. We further apply this generic framework to the contextual QA task and hypothesize that three features approximate this gap: context-reliance (using the provided context rather than parametric knowledge), context comprehension (extracting relevant information from context), and honesty (avoiding intentional lies). Using a top-down interpretability approach, we extract these features by using only a small number of labeled samples and ensemble them to form a robust uncertainty score. Experiments on multiple QA benchmarks in both in-distribution and out-of-distribution settings show that our method substantially outperforms state-of-the-art unsupervised (sampling-free and sampling-based) and supervised UQ methods, achieving up to a 13-point PRR improvement while incurring a negligible inference overhead.

  • 11 authors
·
Oct 2, 2025

Phi-4-reasoning Technical Report

We introduce Phi-4-reasoning, a 14-billion parameter reasoning model that achieves strong performance on complex reasoning tasks. Trained via supervised fine-tuning of Phi-4 on carefully curated set of "teachable" prompts-selected for the right level of complexity and diversity-and reasoning demonstrations generated using o3-mini, Phi-4-reasoning generates detailed reasoning chains that effectively leverage inference-time compute. We further develop Phi-4-reasoning-plus, a variant enhanced through a short phase of outcome-based reinforcement learning that offers higher performance by generating longer reasoning traces. Across a wide range of reasoning tasks, both models outperform significantly larger open-weight models such as DeepSeek-R1-Distill-Llama-70B model and approach the performance levels of full DeepSeek-R1 model. Our comprehensive evaluations span benchmarks in math and scientific reasoning, coding, algorithmic problem solving, planning, and spatial understanding. Interestingly, we observe a non-trivial transfer of improvements to general-purpose benchmarks as well. In this report, we provide insights into our training data, our training methodologies, and our evaluations. We show that the benefit of careful data curation for supervised fine-tuning (SFT) extends to reasoning language models, and can be further amplified by reinforcement learning (RL). Finally, our evaluation points to opportunities for improving how we assess the performance and robustness of reasoning models.

  • 23 authors
·
Apr 30, 2025 3

Scalable Best-of-N Selection for Large Language Models via Self-Certainty

Best-of-N selection is a key technique for improving the reasoning performance of Large Language Models (LLMs) through increased test-time computation. Current state-of-the-art methods often employ computationally intensive reward models for response evaluation and selection. Reward-free alternatives, like self-consistency and universal self-consistency, are limited in their ability to handle open-ended generation tasks or scale effectively. To address these limitations, we propose self-certainty, a novel and efficient metric that leverages the inherent probability distribution of LLM outputs to estimate response quality without requiring external reward models. We hypothesize that higher distributional self-certainty, aggregated across multiple samples, correlates with improved response accuracy, as it reflects greater confidence in the generated output. Through extensive experiments on various reasoning tasks, we demonstrate that self-certainty (1) scales effectively with increasing sample size N, akin to reward models but without the computational overhead; (2) complements chain-of-thought, improving reasoning performance beyond greedy decoding; and (3) generalizes to open-ended tasks where traditional self-consistency methods fall short. Our findings establish self-certainty as a practical and efficient way for improving LLM reasoning capabilities. The code is available at https://github.com/backprop07/Self-Certainty

  • 3 authors
·
Feb 25, 2025

Reasoning Model is Stubborn: Diagnosing Instruction Overriding in Reasoning Models

Large language models have demonstrated remarkable proficiency in long and complex reasoning tasks. However, they frequently exhibit a problematic reliance on familiar reasoning patterns, a phenomenon we term reasoning rigidity. Despite explicit instructions from users, these models often override clearly stated conditions and default to habitual reasoning trajectories, leading to incorrect conclusions. This behavior presents significant challenges, particularly in domains such as mathematics and logic puzzle, where precise adherence to specified constraints is critical. To systematically investigate reasoning rigidity, a behavior largely unexplored in prior work, we introduce a expert-curated diagnostic set, . Our dataset includes specially modified variants of existing mathematical benchmarks, namely AIME and MATH500, as well as well-known puzzles deliberately redesigned to require deviation from familiar reasoning strategies. Using this dataset, we identify recurring contamination patterns that occur when models default to ingrained reasoning. Specifically, we categorize this contamination into three distinctive modes: (i) Interpretation Overload, (ii) Input Distrust, and (iii) Partial Instruction Attention, each causing models to ignore or distort provided instructions. We publicly release our diagnostic set to facilitate future research on mitigating reasoning rigidity in language models.

  • 5 authors
·
May 22, 2025 2

Toward Honest Language Models for Deductive Reasoning

Deductive reasoning is the process of deriving conclusions strictly from the given premises, without relying on external knowledge. We define honesty in this setting as a model's ability to respond only when the conclusion is logically entailed by the premises, and to abstain otherwise. However, current language models often fail to reason honestly, producing unwarranted answers when the input is insufficient. To study this challenge, we formulate honest deductive reasoning as multi-step tasks where models must either derive the correct conclusion or abstain. We curate two datasets from graph structures, one for linear algebra and one for logical inference, and introduce unanswerable cases by randomly perturbing an edge in half of the instances. We find that prompting and existing training methods, including GRPO with or without supervised fine-tuning initialization, struggle on these tasks. In particular, GRPO optimize only for final task outcomes, leaving models vulnerable to collapse when negative rewards dominate early training. To address this, we propose ACNCHOR, a reinforcement learning method that injects ground truth trajectories into rollouts, preventing early training collapse. Our results demonstrate that this method stabilizes learning and significantly improves the overall reasoning performance, underscoring the importance of training dynamics for enabling honest deductive reasoning in language models.

  • 10 authors
·
Nov 12, 2025

Adaptive Guidance Accelerates Reinforcement Learning of Reasoning Models

We study the process through which reasoning models trained with reinforcement learning on verifiable rewards (RLVR) can learn to solve new problems. We find that RLVR drives performance in two main ways: (1) by compressing pass@k into pass@1 and (2) via "capability gain" in which models learn to solve new problems that they previously could not solve even at high k. We find that while capability gain exists across model scales, learning to solve new problems is primarily driven through self-distillation. We demonstrate these findings across model scales ranging from 0.5B to 72B parameters on >500,000 reasoning problems with prompts and verifiable final answers across math, science, and code domains. We further show that we can significantly improve pass@k rates by leveraging natural language guidance for the model to consider within context while still requiring the model to derive a solution chain from scratch. Based of these insights, we derive Guide -- a new class of online training algorithms. Guide adaptively incorporates hints into the model's context on problems for which all rollouts were initially incorrect and adjusts the importance sampling ratio for the "off-policy" trajectories in order to optimize the policy for contexts in which the hints are no longer present. We describe variants of Guide for GRPO and PPO and empirically show that Guide-GRPO on 7B and 32B parameter models improves generalization over its vanilla counterpart with up to 4% macro-average improvement across math benchmarks. We include careful ablations to analyze Guide's components and theoretically analyze Guide's learning efficiency.

  • 6 authors
·
Jun 16, 2025

Right Question is Already Half the Answer: Fully Unsupervised LLM Reasoning Incentivization

While large language models (LLMs) have demonstrated exceptional capabilities in challenging tasks such as mathematical reasoning, existing methods to enhance reasoning ability predominantly rely on supervised fine-tuning (SFT) followed by reinforcement learning (RL) on reasoning-specific data after pre-training. However, these approaches critically depend on external supervisions--such as human labelled reasoning traces, verified golden answers, or pre-trained reward models--which limits scalability and practical applicability. In this work, we propose Entropy Minimized Policy Optimization (EMPO), which makes an early attempt at fully unsupervised LLM reasoning incentivization. EMPO does not require any supervised information for incentivizing reasoning capabilities (i.e., neither verifiable reasoning traces, problems with golden answers, nor additional pre-trained reward models). By continuously minimizing the predictive entropy of LLMs on unlabeled user queries in a latent semantic space, EMPO enables purely self-supervised evolution of reasoning capabilities with strong flexibility and practicality. Our experiments demonstrate competitive performance of EMPO on both mathematical reasoning and free-form commonsense reasoning tasks. Specifically, without any supervised signals, EMPO boosts the accuracy of Qwen2.5-Math-7B Base from 30.7\% to 48.1\% on mathematical benchmarks and improves truthfulness accuracy of Qwen2.5-7B Instruct from 87.16\% to 97.25\% on TruthfulQA.

tencent Tencent
·
Apr 8, 2025

Shape of Thought: When Distribution Matters More than Correctness in Reasoning Tasks

We present the surprising finding that a language model's reasoning capabilities can be improved by training on synthetic datasets of chain-of-thought (CoT) traces from more capable models, even when all of those traces lead to an incorrect final answer. Our experiments show this approach can yield better performance on reasoning tasks than training on human-annotated datasets. We hypothesize that two key factors explain this phenomenon: first, the distribution of synthetic data is inherently closer to the language model's own distribution, making it more amenable to learning. Second, these `incorrect' traces are often only partially flawed and contain valid reasoning steps from which the model can learn. To further test the first hypothesis, we use a language model to paraphrase human-annotated traces -- shifting their distribution closer to the model's own distribution -- and show that this improves performance. For the second hypothesis, we introduce increasingly flawed CoT traces and study to what extent models are tolerant to these flaws. We demonstrate our findings across various reasoning domains like math, algorithmic reasoning and code generation using MATH, GSM8K, Countdown and MBPP datasets on various language models ranging from 1.5B to 9B across Qwen, Llama, and Gemma models. Our study shows that curating datasets that are closer to the model's distribution is a critical aspect to consider. We also show that a correct final answer is not always a reliable indicator of a faithful reasoning process.

Consistency-based Abductive Reasoning over Perceptual Errors of Multiple Pre-trained Models in Novel Environments

The deployment of pre-trained perception models in novel environments often leads to performance degradation due to distributional shifts. Although recent artificial intelligence approaches for metacognition use logical rules to characterize and filter model errors, improving precision often comes at the cost of reduced recall. This paper addresses the hypothesis that leveraging multiple pre-trained models can mitigate this recall reduction. We formulate the challenge of identifying and managing conflicting predictions from various models as a consistency-based abduction problem. The input predictions and the learned error detection rules derived from each model are encoded in a logic program. We then seek an abductive explanation--a subset of model predictions--that maximizes prediction coverage while ensuring the rate of logical inconsistencies (derived from domain constraints) remains below a specified threshold. We propose two algorithms for this knowledge representation task: an exact method based on Integer Programming (IP) and an efficient Heuristic Search (HS). Through extensive experiments on a simulated aerial imagery dataset featuring controlled, complex distributional shifts, we demonstrate that our abduction-based framework outperforms individual models and standard ensemble baselines, achieving, for instance, average relative improvements of approximately 13.6% in F1-score and 16.6% in accuracy across 15 diverse test datasets when compared to the best individual model. Our results validate the use of consistency-based abduction as an effective mechanism to robustly integrate knowledge from multiple imperfect reasoners in challenging, novel scenarios.

leibnitz-lab Leibnitz Lab
·
May 25, 2025

Beyond Hallucinations: The Illusion of Understanding in Large Language Models

Large language models (LLMs) are becoming deeply embedded in human communication and decision-making, yet they inherit the ambiguity, bias, and lack of direct access to truth inherent in language itself. While their outputs are fluent, emotionally resonant, and coherent, they are generated through statistical prediction rather than grounded reasoning. This creates the risk of hallucination, responses that sound convincing but lack factual validity. Building on Geoffrey Hinton's observation that AI mirrors human intuition rather than reasoning, this paper argues that LLMs operationalize System 1 cognition at scale: fast, associative, and persuasive, but without reflection or falsification. To address this, we introduce the Rose-Frame, a three-dimensional framework for diagnosing cognitive and epistemic drift in human-AI interaction. The three axes are: (i) Map vs. Territory, which distinguishes representations of reality (epistemology) from reality itself (ontology); (ii) Intuition vs. Reason, drawing on dual-process theory to separate fast, emotional judgments from slow, reflective thinking; and (iii) Conflict vs. Confirmation, which examines whether ideas are critically tested through disagreement or simply reinforced through mutual validation. Each dimension captures a distinct failure mode, and their combination amplifies misalignment. Rose-Frame does not attempt to fix LLMs with more data or rules. Instead, it offers a reflective tool that makes both the model's limitations and the user's assumptions visible, enabling more transparent and critically aware AI deployment. It reframes alignment as cognitive governance: intuition, whether human or artificial, must remain governed by human reason. Only by embedding reflective, falsifiable oversight can we align machine fluency with human understanding.

  • 4 authors
·
Oct 16, 2025

Deductive Verification of Chain-of-Thought Reasoning

Large Language Models (LLMs) significantly benefit from Chain-of-Thought (CoT) prompting in performing various reasoning tasks. While CoT allows models to produce more comprehensive reasoning processes, its emphasis on intermediate reasoning steps can inadvertently introduce hallucinations and accumulated errors, thereby limiting models' ability to solve complex reasoning tasks. Inspired by how humans engage in careful and meticulous deductive logical reasoning processes to solve tasks, we seek to enable language models to perform explicit and rigorous deductive reasoning, and also ensure the trustworthiness of their reasoning process through self-verification. However, directly verifying the validity of an entire deductive reasoning process is challenging, even with advanced models like ChatGPT. In light of this, we propose to decompose a reasoning verification process into a series of step-by-step subprocesses, each only receiving their necessary context and premises. To facilitate this procedure, we propose Natural Program, a natural language-based deductive reasoning format. Our approach enables models to generate precise reasoning steps where subsequent steps are more rigorously grounded on prior steps. It also empowers language models to carry out reasoning self-verification in a step-by-step manner. By integrating this verification process into each deductive reasoning stage, we significantly enhance the rigor and trustfulness of generated reasoning steps. Along this process, we also improve the answer correctness on complex reasoning tasks. Code will be released at https://github.com/lz1oceani/verify_cot.

  • 7 authors
·
Jun 6, 2023

Solve-Detect-Verify: Inference-Time Scaling with Flexible Generative Verifier

Large Language Model (LLM) reasoning for complex tasks inherently involves a trade-off between solution accuracy and computational efficiency. The subsequent step of verification, while intended to improve performance, further complicates this landscape by introducing its own challenging trade-off: sophisticated Generative Reward Models (GenRMs) can be computationally prohibitive if naively integrated with LLMs at test-time, while simpler, faster methods may lack reliability. To overcome these challenges, we introduce FlexiVe, a novel generative verifier that flexibly balances computational resources between rapid, reliable fast thinking and meticulous slow thinking using a Flexible Allocation of Verification Budget strategy. We further propose the Solve-Detect-Verify pipeline, an efficient inference-time scaling framework that intelligently integrates FlexiVe, proactively identifying solution completion points to trigger targeted verification and provide focused solver feedback. Experiments show FlexiVe achieves superior accuracy in pinpointing errors within reasoning traces on ProcessBench. Furthermore, on challenging mathematical reasoning benchmarks (AIME 2024, AIME 2025, and CNMO), our full approach outperforms baselines like self-consistency in reasoning accuracy and inference efficiency. Our system offers a scalable and effective solution to enhance LLM reasoning at test time.

  • 6 authors
·
May 17, 2025 2

Advancing Process Verification for Large Language Models via Tree-Based Preference Learning

Large Language Models (LLMs) have demonstrated remarkable potential in handling complex reasoning tasks by generating step-by-step rationales.Some methods have proven effective in boosting accuracy by introducing extra verifiers to assess these paths. However, existing verifiers, typically trained on binary-labeled reasoning paths, fail to fully utilize the relative merits of intermediate steps, thereby limiting the effectiveness of the feedback provided. To overcome this limitation, we propose Tree-based Preference Learning Verifier (Tree-PLV), a novel approach that constructs reasoning trees via a best-first search algorithm and collects step-level paired data for preference training. Compared to traditional binary classification, step-level preferences more finely capture the nuances between reasoning steps, allowing for a more precise evaluation of the complete reasoning path. We empirically evaluate Tree-PLV across a range of arithmetic and commonsense reasoning tasks, where it significantly outperforms existing benchmarks. For instance, Tree-PLV achieved substantial performance gains over the Mistral-7B self-consistency baseline on GSM8K (67.55% to 82.79%), MATH (17.00% to 26.80%), CSQA (68.14% to 72.97%), and StrategyQA (82.86% to 83.25%).Additionally, our study explores the appropriate granularity for applying preference learning, revealing that step-level guidance provides feedback that better aligns with the evaluation of the reasoning process.

  • 5 authors
·
Jun 29, 2024

AdaThink-Med: Medical Adaptive Thinking with Uncertainty-Guided Length Calibration

Recent advances in inference time scaling with extended long chain-of thought have significantly improved the reasoning capabilities of both general and medical large language models (LLMs). However, these models tend to engage in lengthy reasoning processes regardless of the difficulty of the input question, leading to increased inference costs in real-world applications. Therefore, enabling adaptive thinking where models think less for simpler questions and think more for complex ones is critical for the effective use of medical LLMs in practice. Despite its importance, there is a lack of end-to-end approaches designed to enhance the adaptive thinking capabilities of medical LLMs while providing a comprehensive examination of the trade-off between performance and computational cost. To bridge this gap, we propose AdaThink-Med, the first end-to-end framework designed to enhance adaptive thinking ability in medical reasoning models with uncertainty-guided length calibration. AdaThink-Med first generates multiple candidate outputs for each question, evaluates the correctness and uncertainty of each candidate, and then estimates problem difficulty via an uncertainty-guided length calibration module. For outputs with low difficulty and correct answers, the framework penalizes longer reasoning paths; whereas for those with high difficulty and incorrect answers, it encourages extending the chain of thought to explore alternative solutions. On six public medical QA benchmarks, AdaThink-Med achieves up to 6.4x length reduction on average while retaining performance with only minimal degradation. Intriguingly, we observe that AdaThink-Med spontaneously develops two distinct reasoning modes, which we characterize as "non-thinking" and "thinking", demonstrating the model's ability to suppress redundant reasoning processes dynamically.

  • 4 authors
·
Sep 29, 2025

Fact-Checking with Large Language Models via Probabilistic Certainty and Consistency

Large language models (LLMs) are increasingly used in applications requiring factual accuracy, yet their outputs often contain hallucinated responses. While fact-checking can mitigate these errors, existing methods typically retrieve external evidence indiscriminately, overlooking the model's internal knowledge and potentially introducing irrelevant noise. Moreover, current systems lack targeted mechanisms to resolve specific uncertainties in the model's reasoning. Inspired by how humans fact-check, we argue that LLMs should adaptively decide whether to rely on internal knowledge or initiate retrieval based on their confidence in a given claim. We introduce Probabilistic Certainty and Consistency (PCC), a framework that estimates factual confidence by jointly modeling an LLM's probabilistic certainty and reasoning consistency. These confidence signals enable an adaptive verification strategy: the model answers directly when confident, triggers targeted retrieval when uncertain or inconsistent, and escalates to deep search when ambiguity is high. Our confidence-guided routing mechanism ensures that retrieval is invoked only when necessary, improving both efficiency and reliability. Extensive experiments across three challenging benchmarks show that PCC achieves better uncertainty quantification than verbalized confidence and consistently outperforms strong LLM-based fact-checking baselines. Furthermore, we demonstrate that PCC generalizes well across various LLMs.

  • 5 authors
·
Jan 5

CounterBench: A Benchmark for Counterfactuals Reasoning in Large Language Models

Counterfactual reasoning is widely recognized as one of the most challenging and intricate aspects of causality in artificial intelligence. In this paper, we evaluate the performance of large language models (LLMs) in counterfactual reasoning. In contrast to previous studies that primarily focus on commonsense causal reasoning, where LLMs often rely on prior knowledge for inference, we specifically assess their ability to perform counterfactual inference using a set of formal rules. To support this evaluation, we introduce a new benchmark dataset, CounterBench, comprising 1K counterfactual reasoning questions. The dataset is designed with varying levels of difficulty, diverse causal graph structures, distinct types of counterfactual questions, and multiple nonsensical name variants. Our experiments demonstrate that counterfactual reasoning poses a significant challenge for LLMs, with most models performing at levels comparable to random guessing. To enhance LLM's counterfactual reasoning ability, we propose a novel reasoning paradigm, CoIn, which guides LLMs through iterative reasoning and backtracking to systematically explore counterfactual solutions. Experimental results show that our method significantly improves LLM performance on counterfactual reasoning tasks and consistently enhances performance across different LLMs.Our dataset is available at https://huggingface.co/datasets/CounterBench/CounterBench.

  • 4 authors
·
Feb 16, 2025

ReVISE: Learning to Refine at Test-Time via Intrinsic Self-Verification

Self-awareness, i.e., the ability to assess and correct one's own generation, is a fundamental aspect of human intelligence, making its replication in large language models (LLMs) an important yet challenging task. Previous works tackle this by employing extensive reinforcement learning or rather relying on large external verifiers. In this work, we propose Refine via Intrinsic Self-Verification (ReVISE), an efficient and effective framework that enables LLMs to self-correct their outputs through self-verification. The core idea of ReVISE is to enable LLMs to verify their reasoning processes and continually rethink reasoning trajectories based on its verification. We introduce a structured curriculum based upon online preference learning to implement this efficiently. Specifically, as ReVISE involves two challenging tasks (i.e., self-verification and reasoning correction), we tackle each task sequentially using curriculum learning, collecting both failed and successful reasoning paths to construct preference pairs for efficient training. During inference, our approach enjoys natural test-time scaling by integrating self-verification and correction capabilities, further enhanced by our proposed confidence-aware decoding mechanism. Our experiments on various reasoning tasks demonstrate that ReVISE achieves efficient self-correction and significantly improves reasoning performance.

  • 5 authors
·
Feb 20, 2025 1

Heimdall: test-time scaling on the generative verification

An AI system can create and maintain knowledge only to the extent that it can verify that knowledge itself. Recent work on long Chain-of-Thought reasoning has demonstrated great potential of LLMs on solving competitive problems, but their verification ability remains to be weak and not sufficiently investigated. In this paper, we propose Heimdall, the long CoT verification LLM that can accurately judge the correctness of solutions. With pure reinforcement learning, we boost the verification accuracy from 62.5% to 94.5% on competitive math problems. By scaling with repeated sampling, the accuracy further increases to 97.5%. Through human evaluation, Heimdall demonstrates impressive generalization capabilities, successfully detecting most issues in challenging math proofs, the type of which is not included during training. Furthermore, we propose Pessimistic Verification to extend the functionality of Heimdall to scaling up the problem solving. It calls Heimdall to judge the solutions from a solver model and based on the pessimistic principle, selects the most likely correct solution with the least uncertainty. Taking DeepSeek-R1-Distill-Qwen-32B as the solver model, Pessimistic Verification improves the solution accuracy on AIME2025 from 54.2% to 70.0% with 16x compute budget and to 83.3% with more compute budget. With the stronger solver Gemini 2.5 Pro, the score reaches 93.0%. Finally, we prototype an automatic knowledge discovery system, a ternary system where one poses questions, another provides solutions, and the third verifies the solutions. Using the data synthesis work NuminaMath for the first two components, Heimdall effectively identifies problematic records within the dataset and reveals that nearly half of the data is flawed, which interestingly aligns with the recent ablation studies from NuminaMath.

  • 2 authors
·
Apr 14, 2025 2

Judging LLMs on a Simplex

Automated evaluation of free-form outputs from large language models (LLMs) is challenging because many distinct answers can be equally valid. A common practice is to use LLMs themselves as judges, but the theoretical properties of this approach are not yet well understood. We show that a geometric framework that represents both judges and candidates as points on a probability simplex can provide helpful insight on what is or is not identifiable using LLM judges. Our theoretical analysis uncovers a "phase transition" in ranking identifiability: for binary scoring systems, true rankings are identifiable even with weak judges under mild assumptions, while rankings become non-identifiable for three or more scoring levels even with infinite data, absent additional prior knowledge. This non-identifiability highlights how uncertainty in rankings stems from not only aleatoric uncertainty (i.e., inherent stochasticity in the data) but also epistemic uncertainty regarding which assumptions hold, an aspect that has received limited attention until now. To integrate both types of uncertainty, we use Bayesian inference to encode assumptions as priors and conduct sensitivity analysis of ranking estimates and credible intervals. Empirical evaluations across multiple benchmarks demonstrate that Bayesian inference yields more accurate rankings and substantially improves coverage rates. These results underscore the importance of taking a more holistic approach to uncertainty quantification when using LLMs as judges.

  • 4 authors
·
May 28, 2025

Speculative Thinking: Enhancing Small-Model Reasoning with Large Model Guidance at Inference Time

Recent advances leverage post-training to enhance model reasoning performance, which typically requires costly training pipelines and still suffers from inefficient, overly lengthy outputs. We introduce Speculative Thinking, a training-free framework that enables large reasoning models to guide smaller ones during inference at the reasoning level, distinct from speculative decoding, which operates at the token level. Our approach is based on two observations: (1) reasoning-supportive tokens such as "wait" frequently appear after structural delimiters like "\n\n", serving as signals for reflection or continuation; and (2) larger models exhibit stronger control over reflective behavior, reducing unnecessary backtracking while improving reasoning quality. By strategically delegating reflective steps to a more capable model, our method significantly boosts the reasoning accuracy of reasoning models while shortening their output. With the assistance of the 32B reasoning model, the 1.5B model's accuracy on MATH500 increases from 83.2% to 89.4%, marking a substantial improvement of 6.2%. Simultaneously, the average output length is reduced from 5439 tokens to 4583 tokens, representing a 15.7% decrease. Moreover, when applied to a non-reasoning model (Qwen-2.5-7B-Instruct), our framework boosts its accuracy from 74.0% to 81.8% on the same benchmark, achieving a relative improvement of 7.8%.

  • 4 authors
·
Apr 12, 2025

Project Ariadne: A Structural Causal Framework for Auditing Faithfulness in LLM Agents

As Large Language Model (LLM) agents are increasingly tasked with high-stakes autonomous decision-making, the transparency of their reasoning processes has become a critical safety concern. While Chain-of-Thought (CoT) prompting allows agents to generate human-readable reasoning traces, it remains unclear whether these traces are faithful generative drivers of the model's output or merely post-hoc rationalizations. We introduce Project Ariadne, a novel XAI framework that utilizes Structural Causal Models (SCMs) and counterfactual logic to audit the causal integrity of agentic reasoning. Unlike existing interpretability methods that rely on surface-level textual similarity, Project Ariadne performs hard interventions (do-calculus) on intermediate reasoning nodes -- systematically inverting logic, negating premises, and reversing factual claims -- to measure the Causal Sensitivity (φ) of the terminal answer. Our empirical evaluation of state-of-the-art models reveals a persistent Faithfulness Gap. We define and detect a widespread failure mode termed Causal Decoupling, where agents exhibit a violation density (ρ) of up to 0.77 in factual and scientific domains. In these instances, agents arrive at identical conclusions despite contradictory internal logic, proving that their reasoning traces function as "Reasoning Theater" while decision-making is governed by latent parametric priors. Our findings suggest that current agentic architectures are inherently prone to unfaithful explanation, and we propose the Ariadne Score as a new benchmark for aligning stated logic with model action.

Scaling Code-Assisted Chain-of-Thoughts and Instructions for Model Reasoning

Reasoning capability is pivotal for Large Language Models (LLMs) to solve complex tasks, yet achieving reliable and scalable reasoning remains challenging. While Chain-of-Thought (CoT) prompting has become a mainstream approach, existing methods often suffer from uncontrolled generation, insufficient quality, and limited diversity in reasoning paths. Recent efforts leverage code to enhance CoT by grounding reasoning in executable steps, but such methods are typically constrained to predefined mathematical problems, hindering scalability and generalizability. In this work, we propose Caco (Code-Assisted Chain-of-ThOught), a novel framework that automates the synthesis of high-quality, verifiable, and diverse instruction-CoT reasoning data through code-driven augmentation. Unlike prior work, Caco first fine-tunes a code-based CoT generator on existing math and programming solutions in a unified code format, then scales the data generation to a large amount of diverse reasoning traces. Crucially, we introduce automated validation via code execution and rule-based filtering to ensure logical correctness and structural diversity, followed by reverse-engineering filtered outputs into natural language instructions and language CoTs to enrich task adaptability. This closed-loop process enables fully automated, scalable synthesis of reasoning data with guaranteed executability. Experiments on our created Caco-1.3M dataset demonstrate that Caco-trained models achieve strong competitive performance on mathematical reasoning benchmarks, outperforming existing strong baselines. Further analysis reveals that Caco's code-anchored verification and instruction diversity contribute to superior generalization across unseen tasks. Our work establishes a paradigm for building self-sustaining, trustworthy reasoning systems without human intervention.

  • 8 authors
·
Oct 5, 2025 2