Conformal Prediction for Language Models

Reinforcement learning improves the reasoning capability of large language models through verifiable rewards for mathematical and coding tasks. In token-level methods such as GRPO, clipping acts on individual token ratios while the reward and advantage apply to a complete response. Recent sequence-level methods align these units but still use fixed clipping bands, whose tail probabilities change as the score distribution evolves. We propose Conformal Prediction-Enabled Sequence-level Policy Optimization (CSPO), which adaptively calibrates sequence-level clipping bounds using recent training statistics. The resulting band targets a specified marginal tail budget and adapts to policy drift; calibration conditional on response length requires additional assumptions. We bound the probability that a fresh score falls outside the band by the target miscoverage level plus explicit CDF discrepancy and drift terms. Under additional moment conditions, this bound also controls the objective and gradient error relative to the unclipped GSPO power surrogate. Experiments with the Qwen3-1.7B series show improvements over GSPO on difficult mathematical reasoning benchmarks and ALFWorld, with clipping endpoints that adapt during training.

Many NLP tasks, such as summarization and extractive question answering, reduce to retrieving relevant content from documents under two constraints: coverage, retaining enough pertinent information to achieve some goal, and conciseness, removing as much irrelevant information as possible. Conformal prediction methods have been used to guarantee coverage, and must be optimized for conciseness through design of a score function. State-of-the-art scoring functions use hand-engineered LLM prompts asking the model to rate the importance of content, but manual prompt engineering is labor-intensive and task-specific. We introduce the Conformal Relevance framework which uses in-context learning example curation and ensembling to create a score function which maintains coverage while improving conciseness with minimal manual input. We demonstrate this framework's application on seven NLP tasks, and also theoretically study the impact of diversity for ensembled conformal scores, giving a complementarity condition that characterizes when ensembling improves worst-case sentence scores, and a saturation bound on ensemble improvement.

Conformal prediction (CP) is a distribution-free framework for uncertainty quantification that has recently been adapted to large language models (LLMs), providing prediction sets with finite-sample coverage guarantees under exchangeability. Yet for LLMs, nonconformity scores are often induced by an inference pipeline, not just a fixed model, making them depend not only on the data distribution but also on configurable factors such as the prompt template, decoding parameters, and deployment setting. Since such configurations are routinely modified in practice but rarely treated as a source of shift, their impact on CP validity remains poorly understood. We call this configuration shift and study it systematically along three axes: prompt template, decoding temperature, and weight quantization. In a broad empirical study spanning $9$ LLMs, $4$ datasets, and $4$ nonconformity scores, we find that configuration shift consistently erodes CP validity, often driving empirical coverage below the target. By contrast, efficiency is largely preserved: valid prediction sets remain close in size to the i.i.d. baseline. We derive coverage lower bounds that attribute this loss to a discrepancy between calibration and test score distributions, and use their finite-sample plug-in versions as empirical diagnostics of shift severity. We further show that these findings lead to practical mitigations: bound-inspired recalibration is effective with limited test examples, while fragility-aware calibration ensembling recovers much of the lost coverage without test data.

Large language models frequently violate fundamental scientific principles when generating technical content, undermining their reliability in scientific applications. We introduce Scientific Feasibility Control SFC, a graph-structured conformal prediction framework that provides statistical guarantees for scientific reasoning validity through progressive absolute-coherent-factuality validation. Our approach decomposes scientific reasoning into atomic absolute-coherent-factuality units requiring both individual correctness against physical laws and logical substantiation from preceding context, addressing the cascade effect where early scientific errors contaminate subsequent reasoning steps. Unlike independence-based methods that treat claims in isolation, SFC models logical dependencies as approximate deducibility graphs and operates through real-time validation with dynamic branching when scientific violations are detected, the system branches to alternative generation paths using verified context as foundation. We demonstrate SFC across established scientific reasoning benchmarks including PhyX multimodal physics, MATH, ScienceQA, and ARC Challenge, achieving 50.1 percent accuracy on PhyX physics reasoning, substantially outperforming recent reasoning models including DeepSeek-R1 49.8 percent and GPT-4 45.8 percent while providing 91.7 percent scientific validity with formal conformal coverage guarantees at alpha equals 0.10 confidence level and reducing scientific law violations by 73 percent across multiple model architectures.

Large language models (LLMs) increasingly perform multi-step reasoning, where intermediate claims form implicit directed acyclic graphs whose node correctness is structurally conditioned on their ancestors. This makes factuality uncertainty structural, rather than a trivial accumulation of node-wise errors, and necessitates inference-time uncertainty quantification over the reasoning structure. While conformal prediction (CP) offers flexible user-specified factuality control, existing work remains post-hoc and cannot intervene during generation. To fill the gap between CP's flexibility and its post-hoc limitation, we propose an Inference-Time Conformal Reasoning (ITCR) framework that integrates CP directly into reasoning graph generation. ITCR learns a structure-level factuality uncertainty function that aggregates claim-level factuality signals over reasoning graphs without complex modeling assumptions. We then design the non-conformity score based on graph-level factuality uncertainty and calibrate the conformal threshold to decide when to stop generation. We theoretically show such generation is nested, yielding valid coverage guarantees for factuality control. Experiments over multiple datasets and coverage objectives demonstrate empirically valid coverage. In downstream reasoning tasks, inference-time calibrated graphs yield more accurate generation than post-hoc pruned graphs.

Large Language Models remain plagued by hallucinations. Recent work has sought to tame their prevalence using statistical techniques based on conformal prediction, with both theoretical and empirical success. However, these methods operate in a post-hoc fashion, treating the sampling procedure itself as atomic and then surgically altering samples to remove hallucinated claims. This disconnect between filtering and generation can result in samples that are incoherent, inconsistent, or simply unlikely under the model itself. Moreover, post-hoc surgery is unable to shift probability mass towards more useful and helpful responses. To address these issues, we propose to instead sample from approximations to an LLM posterior, where the conditioning event corresponds to a calibrated, high-scoring region. We develop a calibration procedure tailored to the setting of conditional sequential generation that effectively identifies this region and achieves target risk control. Empirically, we apply our method to case studies focused on open-ended biography generation and mathematical problem solving; compared to prior work, we obtain the same statistical guarantees, with higher downstream utility.

Large language models (LLMs) can reveal and amplify societal biases during chain-of-thought (CoT) generation. We present COFT (Chain of Fair Thought), a training-free decoding method that applies token-level fairness control at decode time, with distribution-free marginal validity guarantees (under exchangeability) for any frozen causal language model. COFT operates in three stages. First, it creates a masked counterfactual prompt by replacing sensitive spans with neutral tokens. Second, it compares the factual and masked logit distributions through lightweight logit fusion to attenuate attribute-driven biases. Third, it uses dual-branch split-conformal calibration to certify per-step candidate token sets at a user-chosen risk level. We evaluate COFT across six models and multiple bias benchmarks. Our method reduces standard bias metrics by 30-55% (median 38%) while preserving task utility and language quality. Reasoning accuracies remain unchanged within run-to-run noise margins. The computational overhead is modest, equivalent to one additional cached forward pass (<=11%). COFT offers a clear, auditable path to safer CoT generation with significant bias reduction, negligible utility loss, and no requirement for retraining, auxiliary classifiers, or weight access.

Conformal prediction (CP) and its extension, conformal risk control (CRC), are established frameworks for quantifying uncertainty in supervised machine learning through formal guarantees. However, recent breakthroughs in artificial intelligence (AI) have been driven by unsupervised generative models, such as large language models (LLMs) and image generators, which are not directly compatible with CP or CRC. In this work we introduce conformal generation (Conf-Gen), a general framework adapting CRC to generative tasks while relaxing its theoretical assumptions. Conf-Gen unifies and generalizes previous attempts to apply CP to LLMs, and extends conformal methodology to entirely new domains. We demonstrate the flexibility of Conf-Gen through some novel applications, including obtaining conformal guarantees on: image generators producing non-memorized images, conversational AI systems having asked enough clarifying questions, and the output of AI agents being correct.

When language models lack relevant knowledge for a given query, they frequently generate plausible responses that can be hallucinations, rather than admitting being agnostic about the answer. Retraining models to reward admitting ignorance can lead to overly conservative behaviors and poor generalization due to scarce evaluation benchmarks. We propose a post hoc framework, Conformal Abstention (CA), adapted from conformal prediction (CP) to determine whether to abstain from answering a query. CA provides finite-sample guarantees on both the probability of participation (i.e., not abstaining) and the probability that the generated response is correct. Importantly, the abstention decision relies on prediction confidence rather than the non-conformity scores used in CP, which are intractable for open-ended generation. To better align prediction confidence with the model's ignorance, we introduce a calibration strategy using representation geometry within the model to measure knowledge involvement in shaping the response. Experiments demonstrate that we improve selective answering significantly with 75 percent conditional correctness.

Large Language Models (LLMs) frequently hallucinate, limiting their reliability in critical applications. Conformal Prediction (CP) addresses this by calibrating error rates on held-out data to provide statistically valid confidence guarantees. Recent work extends CP to LLM factuality to filter out risky claims, ensuring that hallucination rates remain below a user-specified level (e.g., 10%). While prior methods treat claims independently, Coherent Factuality extends to multi-step reasoning by representing outputs as dependency graphs and jointly validating claims with their logical ancestors. A key limitation is that Coherent Factuality is not differentiable, requiring hand-crafted scorers that at high reliability levels remove nearly 60% of true claims. We introduce Differentiable Coherent Factuality (DCF), a fully differentiable relaxation that enables learning improved scorers while provably recovering the original algorithm's guarantees. Experiments on two benchmark reasoning datasets demonstrate DCF achieves up to 141% improvement in claim retention while maintaining reliability guarantees, representing a significant step towards reliable conformal LLM systems.

Large language models are increasingly deployed in settings where reliability matters, yet output-level uncertainty signals such as token probabilities, entropy, and self-consistency can become brittle under calibration--deployment mismatch. Conformal prediction provides finite-sample validity under exchangeability, but its practical usefulness depends on the quality of the nonconformity score. We propose a conformal framework for LLM question answering that uses internal representations rather than output-facing statistics: specifically, we introduce Layer-Wise Information (LI) scores, which measure how conditioning on the input reshapes predictive entropy across model depth, and use them as nonconformity scores within a standard split conformal pipeline. Across closed-ended and open-domain QA benchmarks, with the clearest gains under cross-domain shift, our method achieves a better validity--efficiency trade-off than strong text-level baselines while maintaining competitive in-domain reliability at the same nominal risk level. These results suggest that internal representations can provide more informative conformal scores when surface-level uncertainty is unstable under distribution shift.

Large language models (LLMs) are prone to generating factually incorrect outputs. Recent work has applied conformal prediction to provide uncertainty estimates and statistical guarantees for the factuality of LLM generations. However, existing approaches are typically not prompt-adaptive, limiting their ability to capture input-dependent variability. As a result, they may filter out too few items (leading to over-coverage) or too many (under-coverage) for a given task or prompt. We propose an adaptive conformal prediction approach that extends conformal score transformation methods to LLMs, with applications to long-form generation and multiple-choice question answering. This enables prompt-dependent calibration, retaining marginal coverage guarantees while improving conditional coverage. In addition, the approach naturally supports selective prediction, allowing unreliable claims or answer choices to be filtered out in downstream applications. We evaluate our approach on multiple white-box models across diverse domains and show that it significantly outperforms existing baselines in terms of conditional coverage.

Transformers have had a profound impact on the field of artificial intelligence, especially on large language models and their variants. However, as was the case with neural networks, their black-box nature limits trust and deployment in high-stakes settings. For models to be genuinely useful and trustworthy in critical applications, they must provide more than just predictions: they must supply users with a clear understanding of the reasoning that underpins their decisions. This article presents an uncertainty quantification framework for transformer-based language models. This framework, called CONFIDE (CONformal prediction for FIne-tuned DEep language models), applies conformal prediction to the internal embeddings of encoder-only architectures, like BERT and RoBERTa, while enabling hyperparameter tuning. CONFIDE uses either [CLS] token embeddings or flattened hidden states to construct class-conditional nonconformity scores, enabling statistically valid prediction sets with instance-level explanations. Empirically, CONFIDE improves test accuracy by up to 4.09% on BERT-tiny and achieves greater correct efficiency (i.e., the expected size of the prediction set conditioned on it containing the true label) compared to prior methods, including NM2 and VanillaNN. We show that early and intermediate transformer layers often yield better-calibrated and more semantically meaningful representations for conformal prediction. In resource-constrained models and high-stakes tasks with ambiguous labels, CONFIDE offers robustness and interpretability where softmax-based uncertainty fails. We position CONFIDE as a framework for practical diagnostic and efficiency/robustness improvement over prior conformal baselines.

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.