Daily Papers

Language models exhibit remarkable natural language generation capabilities but remain prone to hallucinations, generating factually incorrect information despite producing syntactically coherent responses. This study introduces the Licensing Oracle, an architectural solution designed to stem hallucinations in LMs by enforcing truth constraints through formal validation against structured knowledge graphs. Unlike statistical approaches that rely on data scaling or fine-tuning, the Licensing Oracle embeds a deterministic validation step into the model's generative process, ensuring that only factually accurate claims are made. We evaluated the effectiveness of the Licensing Oracle through experiments comparing it with several state-of-the-art methods, including baseline language model generation, fine-tuning for factual recall, fine-tuning for abstention behavior, and retrieval-augmented generation (RAG). Our results demonstrate that although RAG and fine-tuning improve performance, they fail to eliminate hallucinations. In contrast, the Licensing Oracle achieved perfect abstention precision (AP = 1.0) and zero false answers (FAR-NE = 0.0), ensuring that only valid claims were generated with 89.1% accuracy in factual responses. This work shows that architectural innovations, such as the Licensing Oracle, offer a necessary and sufficient solution for hallucinations in domains with structured knowledge representations, offering guarantees that statistical methods cannot match. Although the Licensing Oracle is specifically designed to address hallucinations in fact-based domains, its framework lays the groundwork for truth-constrained generation in future AI systems, providing a new path toward reliable, epistemically grounded models.

As AI agents increasingly operate in open, real-world environments, they require a deep synergy of multimodal perception, tool invocation with multi-hop reasoning, and dynamic interaction with users. However, existing benchmarks fail to jointly evaluate these capabilities due to challenges in designing strictly coupled multi-capability tasks, simulating natural and task-constrained user feedback, and ensuring objective evaluation of dynamic interaction. To bridge this gap, we introduce EgoBench, the first interactive multimodal benchmark for tool-using agents. EgoBench comprises 1,045 egocentric-video-grounded tasks covering four daily scenarios, along with a user-agent-tool interactive environment for evaluation. We implement a three-stage synergistic pipeline through which each task is designed to enforce the joint application of visual perception and tool-augmented multi-hop reasoning. We additionally develop a multi-agent simulated user within EgoBench to evaluate agents' interaction capabilities, which generates high-fidelity, task-aligned responses to agents. Furthermore, we establish a deterministic joint validation framework that guarantees objective assessment through process-based and result-based equivalence. Benchmarking eight SOTA video-MLLM agents on EgoBench reveals a severe performance ceiling: the best model achieves only 30.62% accuracy in the best-performing scenario, averaging 19.43% across all four scenarios. Finally, we conduct a multi-dimensional error analysis to disentangle failure modes, exposing capability bottlenecks for advancing future AI agents.

Handwritten STEM exams capture open-ended reasoning and diagrams, but manual grading is slow and difficult to scale. We present an end-to-end workflow for grading scanned handwritten engineering quizzes with multimodal large language models (LLMs) that preserves the standard exam process (A4 paper, unconstrained student handwriting). The lecturer provides only a handwritten reference solution (100%) and a short set of grading rules; the reference is converted into a text-only summary that conditions grading without exposing the reference scan. Reliability is achieved through a multi-stage design with a format/presence check to prevent grading blank answers, an ensemble of independent graders, supervisor aggregation, and rigid templates with deterministic validation to produce auditable, machine-parseable reports. We evaluate the frozen pipeline in a clean-room protocol on a held-out real course quiz in Slovenian, including hand-drawn circuit schematics. With state-of-the-art backends (GPT-5.2 and Gemini-3 Pro), the full pipeline achieves approx8-point mean absolute difference to lecturer grades with low bias and an estimated manual-review trigger rate of approx17% at D_{max}=40. Ablations show that trivial prompting and removing the reference solution substantially degrade accuracy and introduce systematic over-grading, confirming that structured prompting and reference grounding are essential.

Large language models are increasingly used as planners for robotic systems, yet how safely they plan remains an open question. To evaluate safe planning systematically, we introduce DESPITE, a benchmark of 12,279 tasks spanning physical and normative dangers with fully deterministic validation. Across 23 models, even near-perfect planning ability does not ensure safety: the best-planning model fails to produce a valid plan on only 0.4% of tasks but produces dangerous plans on 28.3%. Among 18 open-source models from 3B to 671B parameters, planning ability improves substantially with scale (0.4-99.3%) while safety awareness remains relatively flat (38-57%). We identify a multiplicative relationship between these two capacities, showing that larger models complete more tasks safely primarily through improved planning, not through better danger avoidance. Three proprietary reasoning models reach notably higher safety awareness (71-81%), while non-reasoning proprietary models and open-source reasoning models remain below 57%. As planning ability approaches saturation for frontier models, improving safety awareness becomes a central challenge for deploying language-model planners in robotic systems.

Financial institutions deploy Large Language Models (LLMs) for reconciliations, regulatory reporting, and client communications, but nondeterministic outputs (output drift) undermine auditability and trust. We quantify drift across five model architectures (7B-120B parameters) on regulated financial tasks, revealing a stark inverse relationship: smaller models (Granite-3-8B, Qwen2.5-7B) achieve 100% output consistency at T=0.0, while GPT-OSS-120B exhibits only 12.5% consistency (95% CI: 3.5-36.0%) regardless of configuration (p<0.0001, Fisher's exact test). This finding challenges conventional assumptions that larger models are universally superior for production deployment. Our contributions include: (i) a finance-calibrated deterministic test harness combining greedy decoding (T=0.0), fixed seeds, and SEC 10-K structure-aware retrieval ordering; (ii) task-specific invariant checking for RAG, JSON, and SQL outputs using finance-calibrated materiality thresholds (plus or minus 5%) and SEC citation validation; (iii) a three-tier model classification system enabling risk-appropriate deployment decisions; and (iv) an audit-ready attestation system with dual-provider validation. We evaluated five models (Qwen2.5-7B via Ollama, Granite-3-8B via IBM watsonx.ai, Llama-3.3-70B, Mistral-Medium-2505, and GPT-OSS-120B) across three regulated financial tasks. Across 480 runs (n=16 per condition), structured tasks (SQL) remain stable even at T=0.2, while RAG tasks show drift (25-75%), revealing task-dependent sensitivity. Cross-provider validation confirms deterministic behavior transfers between local and cloud deployments. We map our framework to Financial Stability Board (FSB), Bank for International Settlements (BIS), and Commodity Futures Trading Commission (CFTC) requirements, demonstrating practical pathways for compliance-ready AI deployments.

In this work, we investigate the data-driven safe control synthesis problem for unknown dynamic systems. We first formulate the safety synthesis problem as a robust convex program (RCP) based on notion of control barrier function. To resolve the issue of unknown system dynamic, we follow the existing approach by converting the RCP to a scenario convex program (SCP) by randomly collecting finite samples of system trajectory. However, to improve the sample efficiency to achieve a desired confidence bound, we provide a new posteriori method with validation tests. Specifically, after collecting a set of data for the SCP, we further collect another set of independent validate data as posterior information to test the obtained solution. We derive a new overall confidence bound for the safety of the controller that connects the original sample data, the support constraints, and the validation data. The efficiency of the proposed approach is illustrated by a case study of room temperature control. We show that, compared with existing methods, the proposed approach can significantly reduce the required number of sample data to achieve a desired confidence bound.

Modernizing legacy COBOL systems remains difficult due to scarce expertise, large and long-lived codebases, and strict correctness requirements. Recent large language model (LLM)-based modernization systems increasingly rely on agentic workflows in which the model controls multi-step tool execution. However, it remains unclear whether delegating execution control to the LLM improves correctness, robustness, or efficiency in structured software engineering workflows. We present a controlled empirical study of deterministic and LLM-controlled orchestration for COBOL-to-Python modernization. Using a unified experimental framework, we hold the language models, prompts, tools, configurations, and source programs constant while varying only the execution control strategy. This isolates orchestration as the sole experimental variable. We evaluate both approaches using functional correctness, robustness across repeated stochastic runs, and computational efficiency. Across multiple models, deterministic orchestration achieves comparable computational accuracy to LLM-controlled orchestration while improving worst-case robustness and reducing performance variability across runs. Deterministic execution also reduces token consumption by up to 3.5x, leading to substantially lower operational cost. These results suggest that, in structured modernization workflows with explicit validation stages, fixed execution policies provide more stable and cost-efficient behavior than fully agentic orchestration without reducing translation quality.

Spatial reasoning over three-dimensional scenes is a core capability for embodied intelligence, yet continuous model improvement remains bottlenecked by the cost of geometric annotation. The self-evolving paradigm offers a promising path, but its reliance on model consensus to construct pseudo-labels causes training to reinforce rather than correct the model's own geometric errors. We identify a property unique to 3D spatial reasoning that circumvents this limitation: ground truth is a deterministic consequence of the underlying geometry, computable exactly from point clouds and camera poses without any model involvement. Building on this insight, we present SpatialEvo, a self-evolving framework for 3D spatial reasoning, centered on the Deterministic Geometric Environment (DGE). The DGE formalizes 16 spatial reasoning task categories under explicit geometric validation rules and converts unannotated 3D scenes into zero-noise interactive oracles, replacing model consensus with objective physical feedback. A single shared-parameter policy co-evolves across questioner and solver roles under DGE constraints: the questioner generates physically valid spatial questions grounded in scene observations, while the solver derives precise answers against DGE-verified ground truth. A task-adaptive scheduler endogenously concentrates training on the model's weakest categories, producing a dynamic curriculum without manual design. Experiments across nine benchmarks demonstrate that SpatialEvo achieves the highest average score at both 3B and 7B scales, with consistent gains on spatial reasoning benchmarks and no degradation on general visual understanding.

Automated Verilog code synthesis poses significant challenges and typically demands expert oversight. Traditional high-level synthesis (HLS) methods often fail to scale for real-world designs. While large language models (LLMs) have enhanced scalability, they often introduce syntactical and logical errors requiring extensive post-generation verification. Here, we introduce a novel conjunctive normal form (CNF)-guided synthesis methodology. The idea is to have an LLM generate CNF clauses, a format widely used for formal verification and synthesis validation in hardware design, but here it is used to formally describe the desired circuit functionality. These CNF specifications are then deterministically converted into Verilog, ensuring correctness by construction. Our approach fine-tunes an open-source and lightweight LLM, namely the CPU-deployable LLama-3.2-3B-Instruct model (parameters < 4B), on a dataset of standard RTL components. Experimental results demonstrate that our approach reliably produces functionally correct Verilog code on the first attempt, compared to other lightweight open-source SoTA works such as Verigen (2B parameters) and RTLCoder (4-bit quantized with around 7B parameters). We will release our method and data in full post peer-review.

On-policy distillation (OPD) is widely used for LLM post-training. When pushed with a reward-extrapolation coefficient lambda > 1, the student can lift past the teacher in domain, but past a threshold lambda* the same step violates the output contract on structured-output tasks. In a single-position Bernoulli reduction, we derive a closed-form base-relative clip-safety threshold lambda*(p,b,c) determined by three measurable quantities: the teacher modal probability, the warm-start mass, and the importance-sampling clip strength. Above lambda*, the extrapolated fixed point exits the clip-safe region, changing training from format-preserving to format-collapsing. We extend the rule to calibrated K-ary listwise JSON tasks where a single binding equivalence class dominates the output contract and SFT retains parse headroom. On Amazon Fashion, three pre-registered tests--a fine-grid cliff interval, a budget-extension test, and a small-clip cross-prediction--fall within their locked prediction windows, with the small-clip value matching the closed-form prediction below grid resolution. Operating just below lambda*, ListOPD brings a 1.7B Qwen3 student to in-domain parity with an 8B-SFT baseline at one-fifth the parameters. The gain is driven primarily by format adherence: NDCG@1 on parsed outputs remains flat across lambda, while parse validity sharply changes at the predicted boundary. The cliff diagnostic is rubric-independent, whereas the parity claim uses a Gemini-graded rubric and inherits that evaluator's exposure.

Foundation models have transformed automated code generation, yet autonomous software-engineering agents remain unreliable in realistic development settings. The dominant explanation locates this gap in model capability. We propose a different locus: software-engineering capability emerges from a model-harness-environment system, in which a runtime substrate -- the harness -- mediates how a foundation-model agent observes a project, acts on it, receives feedback, and establishes that a change is complete. We formalize this substrate as an AI Harness Engineering and identify eleven component responsibilities: task specification, context selection, tool access, project memory, task state, observability, failure attribution, verification, permissions, entropy auditing, and intervention recording. We operationalize the harness through a four-level ladder (H0-H3) that progressively exposes runtime support to the agent, and we propose a trace-based evaluation protocol that converts each agent run into an auditable episode package. Applied to a controlled validation task, the framework yields episode packages whose evidence structure varies systematically with harness level: lower levels produce only a final patch, higher levels produce reproduction logs, failure attributions, deterministic requirement checks, and structured verification reports. The framework reframes the central question of autonomous software engineering from whether a foundation model can produce a patch to whether the model-harness-environment system can produce a verifiably correct, attributed, and maintainable change. We outline a research program for the runtime systems that foundation-model software agents will require.

This paper presents SiliconHealth, a comprehensive blockchain-based healthcare infrastructure designed for resource-constrained regions, particularly sub-Saharan Africa. We demonstrate that obsolete Bitcoin mining Application-Specific Integrated Circuits (ASICs) can be repurposed to create a secure, low-cost, and energy-efficient medical records system. The proposed architecture employs a four-tier hierarchical network: regional hospitals using Antminer S19 Pro (90+ TH/s), urban health centers with Antminer S9 (14 TH/s), rural clinics equipped with Lucky Miner LV06 (500 GH/s, 13W), and mobile health points with portable ASIC devices. We introduce the Deterministic Hardware Fingerprinting (DHF) paradigm, which repurposes SHA-256 mining ASICs as cryptographic proof generators, achieving 100% verification rate across 23 test proofs during 300-second validation sessions. The system incorporates Reed-Solomon LSB watermarking for medical image authentication with 30-40% damage tolerance, semantic Retrieval-Augmented Generation (RAG) for intelligent medical record queries, and offline synchronization protocols for intermittent connectivity. Economic analysis demonstrates 96% cost reduction compared to GPU-based alternatives, with total deployment cost of $847 per rural clinic including 5-year solar power infrastructure. Validation experiments on Lucky Miner LV06 (BM1366 chip, 5nm) achieve 2.93 MH/W efficiency and confirm hardware universality. This work establishes a practical framework for deploying verifiable, tamper-proof electronic health records in regions where traditional healthcare IT infrastructure is economically unfeasible, potentially benefiting over 600 million people lacking access to basic health information systems.

Precise recognition, editing, and generation of molecules are essential prerequisites for both chemists and AI systems tackling various chemical tasks. We present MolLangBench, a comprehensive benchmark designed to evaluate fundamental molecule-language interface tasks: language-prompted molecular structure recognition, editing, and generation. To ensure high-quality, unambiguous, and deterministic outputs, we construct the recognition tasks using automated cheminformatics tools, and curate editing and generation tasks through rigorous expert annotation and validation. MolLangBench supports the evaluation of models that interface language with different molecular representations, including linear strings, molecular images, and molecular graphs. Evaluations of state-of-the-art models reveal significant limitations: the strongest model (o3) achieves 79.2% and 78.5% accuracy on recognition and editing tasks, which are intuitively simple for humans, and performs even worse on the generation task, reaching only 29.0% accuracy. These results highlight the shortcomings of current AI systems in handling even preliminary molecular recognition and manipulation tasks. We hope MolLangBench will catalyze further research toward more effective and reliable AI systems for chemical applications.

Large language models (LLMs) can answer religious knowledge queries fluently, yet they often hallucinate and misattribute sources, which is especially consequential in Islamic settings where users expect grounding in canonical texts (Qur'an and Hadith) and jurisprudential (fiqh) nuance. Retrieval-augmented generation (RAG) reduces some of these limitations by grounding generation in external evidence. However, a single ``retrieve-then-generate'' pipeline is limited to deal with the diversity of Islamic queries. Users may request verbatim scripture, fatwa-style guidance with citations or rule-constrained computations such as zakat and inheritance that require strict arithmetic and legal invariants. In this work, we present a bilingual (Arabic/English) multi-agent Islamic assistant, called Fanar-Sadiq, which is a core component of the Fanar AI platform. Fanar-Sadiq routes Islamic-related queries to specialized modules within an agentic, tool-using architecture. The system supports intent-aware routing, retrieval-grounded fiqh answers with deterministic citation normalization and verification traces, exact verse lookup with quotation validation, and deterministic calculators for Sunni zakat and inheritance with madhhab-sensitive branching. We evaluate the complete end-to-end system on public Islamic QA benchmarks and demonstrate effectiveness and efficiency. Our system is currently publicly and freely accessible through API and a Web application, and has been accessed approx1.9M times in less than a year.

Enterprise property graphs vary widely in schema structure, internal terminology, domain assumptions, governance constraints, and user interaction patterns. A deployment-relevant Text2Cypher benchmark therefore reflects the questions users and agents actually ask of that graph. Creating such a benchmark is difficult because schemas and values are unique, and graph structure changes over time. Each NL-query pair must also be executable, use real graph entities, preserve diversity, and remain balanced across query types and difficulty levels. We present PIPE-Cypher, a local benchmark-generation pipeline that turns a live property graph and optional seed queries from customer questions, analyst logs, or agent tool calls into balanced NL-to-Cypher benchmarks. PIPE-Cypher combines schema profiling, reverse-query grounding, constrained generation, deterministic Cypher governance, execution validation, redaction, diversity controls, and a calibrated local LLM judge. Using local Qwen3.5-9B generation and judging, PIPE-Cypher exports 3,000 accepted FinBench/SNB examples, completes three audited ablation suites, calibrates judge behavior with human labels, and evaluates 11 local downstream models. The resulting benchmark is deliberately discriminative: zero-shot transfer is weak, while a few-shot control shows that schema-specific example banks can help compatible model families. Together, PIPE-Cypher makes Text2Cypher benchmarking a repeatable process that evolves with the graph, its users, and its target workloads.

Katharevousa Greek remains poorly served by contemporary NLP pipelines despite its importance for legal, administrative, and parliamentary archives. We present a reproducible workflow for building and evaluating a Universal Dependencies-style parsing resource for Katharevousa parliamentary questions from Greece's early post-junta period. The pipeline links OCR-aware reconstruction, schema-constrained LLM-assisted annotation, automatic validation, deterministic CoNLL-U snapshotting, fixed-split evaluation, and model-family comparison. The frozen automatically validated reference set contains 1{,}697 sentences, split into 1{,}357 training sentences and 340 held-out test sentences. We compare off-the-shelf Greek and Ancient Greek parsers, a feature-based parser, mBERT, XLM-R, and custom Stanza training under the same scoring protocol. Off-the-shelf systems show substantial register mismatch: the strongest external baseline, spaCy Greek, reaches 0.4183 LAS. The best structural parser, an XLM-R model, reaches 0.8893 UPOS accuracy, 0.7250 dependency-relation F1, 0.6098 UAS, and 0.5162 LAS, an absolute LAS gain of 0.0980 over the best external baseline. The feature-based model remains competitive for UPOS and relation labeling, indicating that transparent lexical-context features still matter at this data scale. Beyond scores, the paper contributes an auditable methodology for turning difficult historical parliamentary OCR into reusable syntactic NLP infrastructure. The entire pipeline -- code, schema, frozen reference annotations, fixed train/test split, and per-model benchmark reports -- is released as an open-access companion to this paper.

Deterministic inference is a comforting ideal in classical software: the same program on the same input should always produce the same output. As large language models move into real-world deployment, this ideal has been imported wholesale into inference stacks. Recent work from the Thinking Machines Lab has presented a detailed analysis of nondeterminism in LLM inference, showing how batch-invariant kernels and deterministic attention can enforce bitwise-identical outputs, positioning deterministic inference as a prerequisite for reproducibility and enterprise reliability. In this paper, we take the opposite stance. We argue that, for LLMs, deterministic inference kills. It kills the ability to model uncertainty, suppresses emergent abilities, collapses reasoning into a single brittle path, and weakens safety alignment by hiding tail risks. LLMs implement conditional distributions over outputs, not fixed functions. Collapsing these distributions to a single canonical completion may appear reassuring, but it systematically conceals properties central to artificial cognition. We instead advocate Stochastic CHAOS, treating distributional variability as a signal to be measured and controlled. Empirically, we show that deterministic inference is systematically misleading. Single-sample deterministic evaluation underestimates both capability and fragility, masking failure probability under paraphrases and noise. Phase-like transitions associated with emergent abilities disappear under greedy decoding. Multi-path reasoning degrades when forced onto deterministic backbones, reducing accuracy and diagnostic insight. Finally, deterministic evaluation underestimates safety risk by hiding rare but dangerous behaviors that appear only under multi-sample evaluation.

LLM agents struggle with regulatory audit replay: when asked to reproduce a flagged transaction decision with identical inputs, many deployments fail to return consistent results. We introduce the Determinism-Faithfulness Assurance Harness (DFAH), a framework for measuring trajectory determinism, decision determinism, and evidence-conditioned faithfulness in tool-using agents deployed in financial services. Across 4,700+ agentic runs (7 models, 4 providers, 3 financial benchmarks with 50 cases each at T=0.0), we find that decision determinism and task accuracy are not detectably correlated (r = -0.11, 95% CI [-0.49, 0.31], p = 0.63, n = 21 configurations): models can be deterministic without being accurate, and accurate without being deterministic. Because neither metric predicts the other in our sample, both must be measured independently, which is precisely what DFAH provides. Small models (7-20B) achieve near-perfect determinism through rigid pattern matching at the cost of accuracy (20-42%), while frontier models show moderate determinism (50-96%) with variable accuracy. No model achieves both perfect determinism and high accuracy, supporting DFAH's multi-dimensional measurement approach. We provide three financial benchmarks (compliance triage, portfolio constraints, and DataOps exceptions; 50 cases each) together with an open-source stress-test harness. Across these benchmarks and DFAH evaluation settings, Tier 1 models with schema-first architectures achieved determinism levels consistent with audit replay requirements.

In LLM inference, the same prompt may yield different outputs across different runs. At the system level, this non-determinism arises from floating-point non-associativity combined with dynamic batching and GPU kernels whose reduction orders vary with batch size. A straightforward way to eliminate non-determinism is to disable dynamic batching during inference, but doing so severely degrades throughput. Another approach is to make kernels batch-invariant; however, this tightly couples determinism to kernel design, requiring new implementations. This coupling also imposes fixed runtime overheads, regardless of how much of the workload actually requires determinism. Inspired by ideas from speculative decoding, we present LLM-42, a scheduling-based approach to enable determinism in LLM inference. Our key observation is that if a sequence is in a consistent state, the next emitted token is likely to be consistent even with dynamic batching. Moreover, most GPU kernels use shape-consistent reductions. Leveraging these insights, LLM-42 decodes tokens using a non-deterministic fast path and enforces determinism via a lightweight verify-rollback loop. The verifier replays candidate tokens under a fixed-shape reduction schedule, commits those that are guaranteed to be consistent across runs, and rolls back those violating determinism. LLM-42 mostly re-uses existing kernels unchanged and incurs overhead only in proportion to the traffic that requires determinism.

Modern AI systems rely on vector embeddings stored and searched using floating-point arithmetic. While effective for approximate similarity search, this design introduces fundamental non-determinism: identical models, inputs, and code can produce different memory states and retrieval results across hardware architectures (e.g., x86 vs. ARM). This prevents replayability and safe deployment, leading to silent data divergence that prevents post-hoc verification and compromises audit trails in regulated sectors. We present Valori, a deterministic AI memory substrate that replaces floating-point memory operations with fixed-point arithmetic (Q16.16) and models memory as a replayable state machine. Valori guarantees bit-identical memory states, snapshots, and search results across platforms. We demonstrate that non-determinism arises before indexing or retrieval and show how Valori enforces determinism at the memory boundary. Our results suggest that deterministic memory is a necessary primitive for trustworthy AI systems. The reference implementation is open-source and available at https://github.com/varshith-Git/Valori-Kernel (archived at https://zenodo.org/records/18022660).

Large language models (LLMs) show remarkable promise for democratizing automated reasoning by generating formal specifications. However, a fundamental tension exists: LLMs are probabilistic, while formal verification demands deterministic guarantees. This paper addresses this epistemological gap by comprehensively investigating failure modes and uncertainty quantification (UQ) in LLM-generated formal artifacts. Our systematic evaluation of five frontier LLMs reveals Satisfiability Modulo Theories (SMT) based autoformalization's domain-specific impact on accuracy (from +34.8% on logical tasks to -44.5% on factual ones), with known UQ techniques like the entropy of token probabilities failing to identify these errors. We introduce a probabilistic context-free grammar (PCFG) framework to model LLM outputs, yielding a refined uncertainty taxonomy. We find uncertainty signals are task-dependent (e.g., grammar entropy for logic, AUROC>0.93). Finally, a lightweight fusion of these signals enables selective verification, drastically reducing errors (14-100%) with minimal abstention, transforming LLM-driven formalization into a reliable engineering discipline.

Comprehensive evaluation of Large Language Models (LLMs) is an open research problem. Existing evaluations rely on deterministic point estimates generated via greedy decoding. However, we find that deterministic evaluations fail to capture the whole output distribution of a model, yielding inaccurate estimations of model capabilities. This is particularly problematic in critical contexts such as unlearning and alignment, where precise model evaluations are crucial. To remedy this, we introduce the first formal probabilistic evaluation framework for LLMs. Namely, we propose novel metrics with high probability guarantees concerning the output distribution of a model. Our metrics are application-independent and allow practitioners to make more reliable estimates about model capabilities before deployment. Our experimental analysis reveals that deterministic evaluations falsely indicate successful unlearning and alignment, whereas our probabilistic evaluations better capture model capabilities. We show how to overcome challenges associated with probabilistic outputs in a case study on unlearning by introducing (1) a novel loss based on entropy optimization, and (2) adaptive temperature scaling. We demonstrate that our approach significantly enhances unlearning in probabilistic settings on recent benchmarks. Overall, our proposed shift from point estimates to probabilistic evaluations of output distributions represents an important step toward comprehensive evaluations of LLMs. Code available at https://www.cs.cit.tum.de/daml/probabilistic-unlearning/.

In order to properly train a machine learning model, data must be properly collected. To guarantee a proper data collection, verifying that the collected data set holds certain properties is a possible solution. For example, guaranteeing that the data set contains samples across the whole input space, or that the data set is balanced w.r.t. different classes. We present a formal approach for verifying a set of arbitrarily stated properties over a data set. The proposed approach relies on the transformation of the data set into a first order logic formula, which can be later verified w.r.t. the different properties also stated in the same logic. A prototype tool, which uses the z3 solver, has been developed; the prototype can take as an input a set of properties stated in a formal language and formally verify a given data set w.r.t. to the given set of properties. Preliminary experimental results show the feasibility and performance of the proposed approach, and furthermore the flexibility for expressing properties of interest.

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.

Writing competitive programming problems is exacting. Authors must: set constraints, input distributions, and edge cases that rule out shortcuts; target specific algorithms (e.g., max-flow, dynamic programming, data structures); and calibrate complexity beyond the reach of most competitors. We argue that this makes for an ideal test of general large language model capabilities and study whether they can do this reliably. We introduce AutoCode, which uses multiple rounds of validation to yield competition-grade problem statements and test cases. On held-out problems, AutoCode test suites approach 99% consistency with official judgments, a significant improvement over current state-of-the-art methods like HardTests, which achieve less than 81%. Furthermore, starting with a random seed problem, AutoCode can create novel variants with reference and brute-force solutions. By cross-verifying these generated solutions against test cases, we can further filter out malformed problems. Our system ensures high correctness, as verified by human experts. AutoCode successfully produces novel problems judged by Grandmaster-level (top 0.3%) competitive programmers to be of contest quality.

Natural-language software requirements are often ambiguous, inconsistent, and underspecified; in safety-critical domains, these defects propagate into formal models that verify the wrong specification and into implementations that ship unsafe behavior. We show that large language models, equipped with an SMT solver, can audit such requirements: translating them into formal logic, detecting ambiguity through stochastic variation in the generated formalization, and exposing inconsistency, vacuousness, and safety violations through solver queries on the resulting specification. We present VERIMED, a neurosymbolic pipeline that operationalizes this idea for medical-device software requirements, and report two findings. First, stochastic variation across independent formalizations is a signal of ambiguity: requirements that admit multiple plausible interpretations produce SMT-inequivalent formalizations, and bidirectional SMT equivalence checking turns this disagreement into a solver-checkable test. Second, the usefulness of symbolic feedback depends on its granularity: in counterexample-guided repair on a hemodialysis question-answering benchmark, concrete SMT counterexamples raise verified accuracy from 55.4% to 98.5%. Over an extensive experimental evaluation on open-source hemodialysis safety requirements, we show that the LLM-based approach in VERIMED successfully reduces ambiguity-sensitive requirements and enables rigorous auditing of software requirements through SMT-based queries.

Can we learn more from data than existed in the generating process itself? Can new and useful information be constructed from merely applying deterministic transformations to existing data? Can the learnable content in data be evaluated without considering a downstream task? On these questions, Shannon information and Kolmogorov complexity come up nearly empty-handed, in part because they assume observers with unlimited computational capacity and fail to target the useful information content. In this work, we identify and exemplify three seeming paradoxes in information theory: (1) information cannot be increased by deterministic transformations; (2) information is independent of the order of data; (3) likelihood modeling is merely distribution matching. To shed light on the tension between these results and modern practice, and to quantify the value of data, we introduce epiplexity, a formalization of information capturing what computationally bounded observers can learn from data. Epiplexity captures the structural content in data while excluding time-bounded entropy, the random unpredictable content exemplified by pseudorandom number generators and chaotic dynamical systems. With these concepts, we demonstrate how information can be created with computation, how it depends on the ordering of the data, and how likelihood modeling can produce more complex programs than present in the data generating process itself. We also present practical procedures to estimate epiplexity which we show capture differences across data sources, track with downstream performance, and highlight dataset interventions that improve out-of-distribution generalization. In contrast to principles of model selection, epiplexity provides a theoretical foundation for data selection, guiding how to select, generate, or transform data for learning systems.

Using large language models (LLMs) to generate source code from natural language prompts is a popular and promising idea with a wide range of applications. One of its limitations is that the generated code can be faulty at times, often in a subtle way, despite being presented to the user as correct. In this paper, we explore ways in which formal methods can assist with increasing the quality of code generated by an LLM. Instead of emitting code in a target language directly, we propose that the user guides the LLM to first generate an opaque intermediate representation, in the verification-aware language Dafny, that can be automatically validated for correctness against agreed on specifications. The correct Dafny program is then compiled to the target language and returned to the user. All user-system interactions throughout the procedure occur via natural language; Dafny code is never exposed. We describe our current prototype and report on its performance on the HumanEval Python code generation benchmarks.

Structured financial audit verification is difficult for language-model agents because correctness depends on structured evidence rather than text alone. A model must link reported facts to taxonomy concepts, traverse calculation or dimensional relations, and recompute expected values before applying an audit rule. We propose AuditFlow, a graph-grounded multi-agent framework that separates adaptive search from deterministic verification. AuditFlow builds a symbolic environment from a static US-GAAP taxonomy graph and a dynamic XBRL filing graph, and exposes it through typed tools for fact retrieval, taxonomy traversal, numerical checking, and rule evaluation. Two junior auditors inspect each case from regulatory and evidentiary views, while a senior auditor resolves disagreements and can request further investigation. The final reports are fused through evidential aggregation to produce an audit verdict, expected value, evidence trail, and trustworthiness score. On a FinAuditing-derived FinMR sample, AuditFlow reaches 82.09% joint audit accuracy under GPT-5.5, outperforming the strongest baseline by 14.93 points. Removing deterministic checks drops accuracy to 17.91%, showing that the symbolic environment performs the verification step that the model cannot reliably replace.

The advent of large language models (LLMs) has greatly facilitated code generation, but ensuring the functional correctness of generated code remains a challenge. Traditional validation methods are often time-consuming, error-prone, and impractical for large volumes of code. We introduce CodeSift, a novel framework that leverages LLMs as the first-line filter of code validation without the need for execution, reference code, or human feedback, thereby reducing the validation effort. We assess the effectiveness of our method across three diverse datasets encompassing two programming languages. Our results indicate that CodeSift outperforms state-of-the-art code evaluation methods. Internal testing conducted with subject matter experts reveals that the output generated by CodeSift is in line with human preference, reinforcing its effectiveness as a dependable automated code validation tool.

Chain-of-Thought (CoT) prompting has become the de facto method to elicit reasoning capabilities from large language models (LLMs). However, to mitigate hallucinations in CoT that are notoriously difficult to detect, current methods such as process reward models (PRMs) or self-consistency operate as opaque boxes and do not provide checkable evidence for their judgments, possibly limiting their effectiveness. To address this issue, we draw inspiration from the idea that "the gold standard for supporting a mathematical claim is to provide a proof". We propose a retrospective, step-aware formal verification framework Safe. Rather than assigning arbitrary scores, we strive to articulate mathematical claims in formal mathematical language Lean 4 at each reasoning step and provide formal proofs to identify hallucinations. We evaluate our framework Safe across multiple language models and various mathematical datasets, demonstrating a significant performance improvement while offering interpretable and verifiable evidence. We also propose FormalStep as a benchmark for step correctness theorem proving with 30,809 formal statements. To the best of our knowledge, our work represents the first endeavor to utilize formal mathematical language Lean 4 for verifying natural language content generated by LLMs, aligning with the reason why formal mathematical languages were created in the first place: to provide a robust foundation for hallucination-prone human-written proofs.

We propose a general two-stage algorithm that enjoys a provable scaling law for the test-time compute of large language models (LLMs). Given an input problem, the proposed algorithm first generates N candidate solutions, and then chooses the best one via a multiple-round knockout tournament where each pair of candidates are compared for K times and only the winners move on to the next round. In a minimalistic implementation, both stages can be executed with a black-box LLM alone and nothing else (e.g., no external verifier or reward model), and a total of N times (K + 1) highly parallelizable LLM calls are needed for solving an input problem. Assuming that a generated candidate solution is correct with probability p_{gen} > 0 and a comparison between a pair of correct and incorrect solutions identifies the right winner with probability p_{comp} > 0.5 (i.e., better than a random guess), we prove theoretically that the failure probability of the proposed algorithm decays to zero exponentially with respect to N and K: $P(final output is incorrect) le (1 - p_{gen})^N + lceil log_2 N rceil e^{-2 K (p_{comp} - 0.5)^2}.$ Our empirical results with the challenging MMLU-Pro benchmark validate the technical assumptions, as well as the efficacy of the proposed algorithm and the gains from scaling up its test-time compute.

This paper presents a quantitative program verification infrastructure for discrete probabilistic programs. Our infrastructure can be viewed as the probabilistic analogue of Boogie: its central components are an intermediate verification language (IVL) together with a real-valued logic. Our IVL provides a programming-language-style for expressing verification conditions whose validity implies the correctness of a program under investigation. As our focus is on verifying quantitative properties such as bounds on expected outcomes, expected run-times, or termination probabilities, off-the-shelf IVLs based on Boolean first-order logic do not suffice. Instead, a paradigm shift from the standard Boolean to a real-valued domain is required. Our IVL features quantitative generalizations of standard verification constructs such as assume- and assert-statements. Verification conditions are generated by a weakest-precondition-style semantics, based on our real-valued logic. We show that our verification infrastructure supports natural encodings of numerous verification techniques from the literature. With our SMT-based implementation, we automatically verify a variety of benchmarks. To the best of our knowledge, this establishes the first deductive verification infrastructure for expectation-based reasoning about probabilistic programs.

In this work, we explore uncertainty estimation as a proxy for correctness in LLM-generated code. To this end, we adapt two state-of-the-art techniques from natural language generation -- one based on entropy and another on mutual information -- to the domain of code generation. Given the distinct semantic properties of code, we introduce modifications, including a semantic equivalence check based on symbolic execution. Our findings indicate a strong correlation between the uncertainty computed through these techniques and correctness, highlighting the potential of uncertainty estimation for quality assessment. Additionally, we propose a simplified version of the entropy-based method that assumes a uniform distribution over the LLM's responses, demonstrating comparable effectiveness. Using these techniques, we develop an abstention policy that prevents the model from making predictions when uncertainty is high, reducing incorrect outputs to near zero. Our evaluation on the LiveCodeBench shows that our approach significantly outperforms a baseline relying solely on LLM-reported log-probabilities.

LLMs are widely used for code generation and mathematical reasoning tasks where they are required to generate structured output. They either need to reason about code, generate code for a given specification, or reason using programs of thought. The typical approach to code generation is to prompt the model and generate samples until an appropriate program is obtained. Within this process, sampling n programs from the language model requires n GPU compute-intensive generations which becomes prohibitively expensive for larger values of n. In this work, we address this limitation by exposing the LLM's distribution within the generated programs themselves. We propose a novel test-time framework we dub probabilistic programs of thought to obtain more samples from the model with fewer LLM generations. Given a program generated by a model and the associated next-token probabilities, we build a probabilistic program that compactly represents exponentially many deterministic programs. Since performing probabilistic reasoning in this probabilistic program is much cheaper, our approach allows sampling new programs without any additional GPU compute and little CPU overhead. We instantiate our approach on benchmarks for code generation, code understanding and mathematical reasoning and report improvements in performance with fewer generations from the LLM.

LLMs are highly sensitive to prompt phrasing, yet standard benchmarks typically report performance using a single prompt, raising concerns about the reliability of such evaluations. In this work, we argue for a stochastic method of moments evaluation over the space of meaning-preserving prompt perturbations. We introduce a formal definition of reliable evaluation that accounts for prompt sensitivity, and suggest ReliableEval - a method for estimating the number of prompt resamplings needed to obtain meaningful results. Using our framework, we stochastically evaluate five frontier LLMs and find that even top-performing models like GPT-4o and Claude-3.7-Sonnet exhibit substantial prompt sensitivity. Our approach is model-, task-, and metric-agnostic, offering a recipe for meaningful and robust LLM evaluation.

Rigorous statistical evaluations of large language models (LLMs), including valid error bars and significance testing, are essential for meaningful and reliable performance assessment. Currently, when such statistical measures are reported, they typically rely on the Central Limit Theorem (CLT). In this position paper, we argue that while CLT-based methods for uncertainty quantification are appropriate when benchmarks consist of thousands of examples, they fail to provide adequate uncertainty estimates for LLM evaluations that rely on smaller, highly specialized benchmarks. In these small-data settings, we demonstrate that CLT-based methods perform very poorly, usually dramatically underestimating uncertainty (i.e. producing error bars that are too small). We give recommendations for alternative frequentist and Bayesian methods that are both easy to implement and more appropriate in these increasingly common scenarios. We provide a simple Python library for these Bayesian methods at https://github.com/sambowyer/bayes_evals .

In the past couple of years, various approaches to representing and quantifying different types of predictive uncertainty in machine learning, notably in the setting of classification, have been proposed on the basis of second-order probability distributions, i.e., predictions in the form of distributions on probability distributions. A completely conclusive solution has not yet been found, however, as shown by recent criticisms of commonly used uncertainty measures associated with second-order distributions, identifying undesirable theoretical properties of these measures. In light of these criticisms, we propose a set of formal criteria that meaningful uncertainty measures for predictive uncertainty based on second-order distributions should obey. Moreover, we provide a general framework for developing uncertainty measures to account for these criteria, and offer an instantiation based on the Wasserstein distance, for which we prove that all criteria are satisfied.

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

Counterfactual explanations are attracting significant attention due to the flourishing applications of machine learning models in consequential domains. A counterfactual plan consists of multiple possibilities to modify a given instance so that the model's prediction will be altered. As the predictive model can be updated subject to the future arrival of new data, a counterfactual plan may become ineffective or infeasible with respect to the future values of the model parameters. In this work, we study the counterfactual plans under model uncertainty, in which the distribution of the model parameters is partially prescribed using only the first- and second-moment information. First, we propose an uncertainty quantification tool to compute the lower and upper bounds of the probability of validity for any given counterfactual plan. We then provide corrective methods to adjust the counterfactual plan to improve the validity measure. The numerical experiments validate our bounds and demonstrate that our correction increases the robustness of the counterfactual plans in different real-world datasets.

We explore uncertainty quantification in large language models (LLMs), with the goal to identify when uncertainty in responses given a query is large. We simultaneously consider both epistemic and aleatoric uncertainties, where the former comes from the lack of knowledge about the ground truth (such as about facts or the language), and the latter comes from irreducible randomness (such as multiple possible answers). In particular, we derive an information-theoretic metric that allows to reliably detect when only epistemic uncertainty is large, in which case the output of the model is unreliable. This condition can be computed based solely on the output of the model obtained simply by some special iterative prompting based on the previous responses. Such quantification, for instance, allows to detect hallucinations (cases when epistemic uncertainty is high) in both single- and multi-answer responses. This is in contrast to many standard uncertainty quantification strategies (such as thresholding the log-likelihood of a response) where hallucinations in the multi-answer case cannot be detected. We conduct a series of experiments which demonstrate the advantage of our formulation. Further, our investigations shed some light on how the probabilities assigned to a given output by an LLM can be amplified by iterative prompting, which might be of independent interest.

Loop invariants are fundamental to reasoning about programs with loops. They establish properties about a given loop's behavior. When they additionally are inductive, they become useful for the task of formal verification that seeks to establish strong mathematical guarantees about program's runtime behavior. The inductiveness ensures that the invariants can be checked locally without consulting the entire program, thus are indispensable artifacts in a formal proof of correctness. Finding inductive loop invariants is an undecidable problem, and despite a long history of research towards practical solutions, it remains far from a solved problem. This paper investigates the capabilities of the Large Language Models (LLMs) in offering a new solution towards this old, yet important problem. To that end, we first curate a dataset of verification problems on programs with loops. Next, we design a prompt for exploiting LLMs, obtaining inductive loop invariants, that are checked for correctness using sound symbolic tools. Finally, we explore the effectiveness of using an efficient combination of a symbolic tool and an LLM on our dataset and compare it against a purely symbolic baseline. Our results demonstrate that LLMs can help improve the state-of-the-art in automated program verification.

Although large language models (LLMs) are capable of performing various tasks, they still suffer from producing plausible but incorrect responses. To improve the reliability of LLMs, recent research has focused on uncertainty quantification to predict whether a response is correct or not. However, most uncertainty quantification methods have been evaluated on questions requiring a single clear answer, ignoring the existence of data uncertainty that arises from irreducible randomness. Instead, these methods only consider model uncertainty, which arises from a lack of knowledge. In this paper, we investigate previous uncertainty quantification methods under the presence of data uncertainty. Our contributions are two-fold: 1) proposing a new Multi-Answer Question Answering dataset, MAQA, consisting of world knowledge, mathematical reasoning, and commonsense reasoning tasks to evaluate uncertainty quantification regarding data uncertainty, and 2) assessing 5 uncertainty quantification methods of diverse white- and black-box LLMs. Our findings show that entropy and consistency-based methods estimate the model uncertainty well even under data uncertainty, while other methods for white- and black-box LLMs struggle depending on the tasks. Additionally, methods designed for white-box LLMs suffer from overconfidence in reasoning tasks compared to simple knowledge queries. We believe our observations will pave the way for future work on uncertainty quantification in realistic setting.

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.

The correctness of computations remains a significant challenge in computer science, with traditional approaches relying on automated testing or formal verification. Self-testing/correcting programs introduce an alternative paradigm, allowing a program to verify and correct its own outputs via randomized reductions, a concept that previously required manual derivation. In this paper, we present Bitween, a method and tool for automated learning of randomized (self)-reductions and program properties in numerical programs. Bitween combines symbolic analysis and machine learning, with a surprising finding: polynomial-time linear regression, a basic optimization method, is not only sufficient but also highly effective for deriving complex randomized self-reductions and program invariants, often outperforming sophisticated mixed-integer linear programming solvers. We establish a theoretical framework for learning these reductions and introduce RSR-Bench, a benchmark suite for evaluating Bitween's capabilities on scientific and machine learning functions. Our empirical results show that Bitween surpasses state-of-the-art tools in scalability, stability, and sample efficiency when evaluated on nonlinear invariant benchmarks like NLA-DigBench. Bitween is open-source as a Python package and accessible via a web interface that supports C language programs.

Modern language models define distributions over strings, but downstream tasks often require different output formats. For instance, a model that generates byte-pair strings does not directly produce word-level predictions, and a DNA model does not directly produce amino-acid sequences. In such cases, a deterministic string-to-string transformation can convert the model's output to the desired form. This is a familiar pattern in probability theory: applying a function f to a random variable Xsim p yields a transformed random variable f(X) with an induced distribution. While such transformations are occasionally used in language modeling, prior work does not treat them as yielding new, fully functional language models. We formalize this perspective and introduce a general framework for language models derived from deterministic string-to-string transformations. We focus on transformations representable as finite-state transducers -- a commonly used state-machine abstraction for efficient string-to-string mappings. We develop algorithms that compose a language model with an FST to *marginalize* over source strings mapping to a given target, propagating probabilities through the transducer without altering model parameters and enabling *conditioning* on transformed outputs. We present an exact algorithm, an efficient approximation, and a theoretical analysis. We conduct experiments in three domains: converting language models from tokens to bytes, from tokens to words, and from DNA to amino acids. These experiments demonstrate inference-time adaptation of pretrained language models to match application-specific output requirements.

As large language models (LLMs) transition from research prototypes to production systems, practitioners often need reliable methods to verify that model outputs satisfy required constraints. While sampling-based estimates provide an intuition of model behavior, they offer no sound guarantees. We present BEAVER, the first practical framework for computing deterministic, sound probability bounds on LLM constraint satisfaction. Given any prefix-closed semantic constraint, BEAVER systematically explores the generation space using novel token trie and frontier data structures, maintaining provably sound bounds at every iteration. We formalize the verification problem, prove soundness of our approach, and evaluate BEAVER on correctness verification, privacy verification and secure code generation tasks across multiple state of the art LLMs. BEAVER achieves 6 to 8 times tighter probability bounds and identifies 3 to 4 times more high risk instances compared to baseline methods under identical computational budgets, enabling precise characterization and risk assessment that loose bounds or empirical evaluation cannot provide.

As LLM-based agents increasingly operate in high-stakes domains with real-world consequences, ensuring their behavioral safety becomes paramount. The dominant oversight paradigm, LLM-as-a-Judge, faces a fundamental dilemma: how can probabilistic systems reliably supervise other probabilistic systems without inheriting their failure modes? We argue that formal verification offers a principled escape from this dilemma, yet its adoption has been hindered by a critical bottleneck: the translation from natural language requirements to formal specifications. This paper bridges this gap by proposing , a neuro-symbolic framework that employs a bidirectional Formal-of-Thought architecture: LLMs serve as specification compilers that top-down decompose high-level human intent into atomic, verifiable constraints, then bottom-up prove compliance using Dafny specifications and Z3 Satisfiability modulo theories solving, which produces mathematical guarantees rather than probabilistic scores. We validate across three benchmarks spanning behavioral safety, multi-domain constraint adherence, and agentic upward deception detection. Experiments on 7 agent models demonstrate that achieves an average improvement of 16.6% over LLM-as-a-Judge baselines, enables weak-to-strong generalization where a 7B judge achieves over 90% accuracy detecting deception from 72B agents, and provides near-linear safety improvement through iterative refinement.

Large language models (LLMs) have demonstrated remarkable code generation capabilities, but the correctness of the generated code cannot be inherently trusted. This paper explores the feasibility of using formal software verification, specifically the SPARK framework for Ada, to ensure the reliability of LLM-generated code. We present Marmaragan, a tool that leverages an LLM in order to generate SPARK annotations for existing programs, enabling formal verification of the code. The tool is benchmarked on a curated set of SPARK programs, with annotations selectively removed to test specific capabilities. The performance of Marmaragan with GPT-4o on the benchmark is promising, with correct annotations having been generated for 50.7% of the benchmark cases. The results establish a foundation for future work on combining the power of LLMs with the reliability of formal software verification.

Large language models (LLMs) show strong capabilities in general reasoning but typically lack reliability in scientific domains like quantum mechanics, which demand strict adherence to physical constraints. This limitation arises from the scarcity of verifiable training resources and the inadequacy of coarse feedback signals in standard alignment paradigms. To address the data challenge, we introduce QuantumQA, a large-scale dataset constructed via a task-adaptive strategy and a hybrid verification protocol that combines deterministic solvers with semantic auditing to guarantee scientific rigor. Building on this foundation, we propose the verification-aware reward model (VRM) tailored for Reinforcement Learning with Verifiable Rewards (RLVR), which employs an adaptive reward fusion (ARF) mechanism to dynamically integrate deterministic signals from a scientific execution suite (SES) with multidimensional semantic evaluations for precise supervision. Experimental results demonstrate that our method consistently outperforms baselines and general-purpose preference models. Notably, our optimized 8B model achieves performance competitive with proprietary models, validating that incorporating verifiable, rule-based feedback into the reinforcement learning loop offers a parameter-efficient alternative to pure scaling.

Large Language Models (LLMs) are being increasingly used in software engineering tasks, with an increased focus on bug report resolution over the past year. However, most proposed systems fail to properly handle uncertain or incorrect inputs and outputs. Existing LLM-based tools and coding agents respond to every issue and generate a patch for every case, even when the input is vague or their own output is incorrect. There are no mechanisms in place to abstain when confidence is low. This leads to unreliable behaviour, such as hallucinated code changes or responses based on vague issue reports. We introduce BouncerBench, a benchmark that evaluates whether LLM-based software agents can refuse to act when inputs are ill-defined or refuse to respond when their own outputs are likely to be incorrect. Unlike prior benchmarks that implicitly incentivize models to generate responses even when uncertain, BouncerBench aims to improve precision by targeting two overlooked failure points: (1) vague or underspecified issue descriptions in tickets and (2) logically or functionally incorrect code patches created by the system. It measures whether proposed systems can distinguish actionable issues from vague tickets and valid patches from untrustworthy ones. We also implement a basic input and output bouncer, evaluating how well current LLMs can abstain when needed. Our results show that most models fail to abstain from underspecified inputs or incorrect outputs. Hence, we conclude that there is significant room for improvement before LLMs can be trusted to make correct decisions and recommendations in real-world software engineering workflows. BouncerBench provides a first step toward evaluating and building more cautious, trustworthy code agents. The replication package, dataset, and leaderboard can be found at bouncerbench.com

Code production is now a commodity; the bottleneck is knowing what to build and proving it works. We present the Kitchen Loop, a framework for autonomous, self-evolving software built on a unified trust model: (1) a specification surface enumerating what the product claims to support; (2) 'As a User x 1000', where an LLM agent exercises that surface as a synthetic power user at 1,000x human cadence; (3) Unbeatable Tests, ground-truth verification the code author cannot fake; and (4) Drift Control, continuous quality measurement with automated pause gates. We validate across two production systems over 285+ iterations, producing 1,094+ merged pull requests with zero regressions detected by the regression oracle (methodology in Section 6.1). We observe emergent properties at scale: multi-iteration self-correction chains, autonomous infrastructure healing, and monotonically improving quality gates. The primitives are not new; our contribution is their composition into a production-tested system with the operational discipline that makes long-running autonomous evolution safe.

While LLMs have seen substantial improvement in reasoning capabilities, they also sometimes overthink, generating unnecessary reasoning steps, particularly under uncertainty, given ill-posed or ambiguous queries. We introduce statistically principled early stopping methods that monitor uncertainty signals during generation to mitigate this issue. Our first approach is parametric: it models inter-arrival times of uncertainty keywords as a renewal process and applies sequential testing for stopping. Our second approach is nonparametric and provides finite-sample guarantees on the probability of halting too early on well-posed queries. We conduct empirical evaluations on reasoning tasks across several domains and models. Our results indicate that uncertainty-aware early stopping can improve both efficiency and reliability in LLM reasoning, and we observe especially significant gains for math reasoning.

Safe deployment of large language models (LLMs) may benefit from a reliable method for assessing their generated content to determine when to abstain or to selectively generate. While likelihood-based metrics such as perplexity are widely employed, recent research has demonstrated the limitations of using sequence-level probability estimates given by LLMs as reliable indicators of generation quality. Conversely, LLMs have demonstrated strong calibration at the token level, particularly when it comes to choosing correct answers in multiple-choice questions or evaluating true/false statements. In this work, we reformulate open-ended generation tasks into token-level prediction tasks, and leverage LLMs' superior calibration at the token level. We instruct an LLM to self-evaluate its answers, employing either a multi-way comparison or a point-wise evaluation approach, with the option to include a ``None of the above'' option to express the model's uncertainty explicitly. We benchmark a range of scoring methods based on self-evaluation and evaluate their performance in selective generation using TruthfulQA and TL;DR. Through experiments with PaLM-2 and GPT-3, we demonstrate that self-evaluation based scores not only improve accuracy, but also correlate better with the overall quality of generated content.

Current evaluations of large language models (LLMs) often overlook non-determinism, typically focusing on a single output per example. This limits our understanding of LLM performance variability in real-world applications. Our study addresses this issue by exploring key questions about the performance differences between greedy decoding and sampling, identifying benchmarks' consistency regarding non-determinism, and examining unique model behaviors. Through extensive experiments, we observe that greedy decoding generally outperforms sampling methods for most evaluated tasks. We also observe consistent performance across different LLM sizes and alignment methods, noting that alignment can reduce sampling variance. Moreover, our best-of-N sampling approach demonstrates that smaller LLMs can match or surpass larger models such as GPT-4-Turbo, highlighting the untapped potential of smaller LLMs. This research shows the importance of considering non-determinism in LLM evaluations and provides insights for future LLM development and evaluation.

Evaluating test cases automatically generated by Large Language Models (LLMs) is a critical yet challenging task. Existing benchmarks often evaluate the exclusion ratio on large, unstructured collections of wrong codes, suffering from high computational costs and score inflation. Furthermore, they inadvertently reward generators that detect common, trivial bugs, while failing to penalize their inability to identify rare yet critical faults. In this work, we connect two fundamental questions: (1) What is the minimal set of wrong codes sufficient to represent the entire error space? and (2) What is the minimal set of test cases needed to distinguish them? We introduce a novel framework that formalizes benchmark construction as finding an optimal diagnostic basis in a binary code-test matrix, where rows represent wrong codes and columns represent test case results. The rank of this matrix specifies the minimal number of independent error patterns (wrong codes) and provides a tight upper bound on the number of test cases required for complete fault coverage. Our objective is to identify a basis of size equal to the matrix rank that maximizes internal diversity. To tackle this NP-hard problem, we propose WrongSelect, an efficient approximation algorithm to select maximally diverse wrong codes. Applying this framework to millions of competitive programming submissions, we construct TC-Bench, a compact, diverse, and inflation-resistant benchmark. Extensive experiments show that even the most advanced test case generation methods achieve only ~60% exclusion rates on TC-Bench, exposing a significant gap in their diagnostic power and highlighting substantial room for future improvement. Our dataset is available at: https://huggingface.co/datasets/Luoberta/TC-Bench and our code is at: https://github.com/Luowaterbi/TC-Bench.

As large language models (LLMs) continue to advance, reliable evaluation methods are essential particularly for open-ended, instruction-following tasks. LLM-as-a-Judge enables automatic evaluation using LLMs as evaluators, but its reliability remains uncertain. In this work, we analyze key factors affecting its trustworthiness, focusing on alignment with human judgments and evaluation consistency. Using BIGGENBench and EvalBiasBench, we study the effects of evaluation design, decoding strategies, and Chain-of-Tought (CoT) reasoning in evaluation. Our results show that evaluation criteria are critical for reliability, non-deterministic sampling improves alignment with human preferences over deterministic evaluation, and CoT reasoning offers minimal gains when clear evaluation criteria are present.

We consider the task of mapping pseudocode to long programs that are functionally correct. Given test cases as a mechanism to validate programs, we search over the space of possible translations of the pseudocode to find a program that passes the validation. However, without proper credit assignment to localize the sources of program failures, it is difficult to guide search toward more promising programs. We propose to perform credit assignment based on signals from compilation errors, which constitute 88.7% of program failures. Concretely, we treat the translation of each pseudocode line as a discrete portion of the program, and whenever a synthesized program fails to compile, an error localization method tries to identify the portion of the program responsible for the failure. We then focus search over alternative translations of the pseudocode for those portions. For evaluation, we collected the SPoC dataset (Search-based Pseudocode to Code) containing 18,356 programs with human-authored pseudocode and test cases. Under a budget of 100 program compilations, performing search improves the synthesis success rate over using the top-one translation of the pseudocode from 25.6% to 44.7%.

A probabilistic classifier with reliable predictive uncertainties i) fits successfully to the target domain data, ii) provides calibrated class probabilities in difficult regions of the target domain (e.g.\ class overlap), and iii) accurately identifies queries coming out of the target domain and rejects them. We introduce an original combination of Evidential Deep Learning, Neural Processes, and Neural Turing Machines capable of providing all three essential properties mentioned above for total uncertainty quantification. We observe our method on five classification tasks to be the only one that can excel all three aspects of total calibration with a single standalone predictor. Our unified solution delivers an implementation-friendly and compute efficient recipe for safety clearance and provides intellectual economy to an investigation of algorithmic roots of epistemic awareness in deep neural nets.

We introduce BSDetector, a method for detecting bad and speculative answers from a pretrained Large Language Model by estimating a numeric confidence score for any output it generated. Our uncertainty quantification technique works for any LLM accessible only via a black-box API, whose training data remains unknown. By expending a bit of extra computation, users of any LLM API can now get the same response as they would ordinarily, as well as a confidence estimate that cautions when not to trust this response. Experiments on both closed and open-form Question-Answer benchmarks reveal that BSDetector more accurately identifies incorrect LLM responses than alternative uncertainty estimation procedures (for both GPT-3 and ChatGPT). By sampling multiple responses from the LLM and considering the one with the highest confidence score, we can additionally obtain more accurate responses from the same LLM, without any extra training steps. In applications involving automated evaluation with LLMs, accounting for our confidence scores leads to more reliable evaluation in both human-in-the-loop and fully-automated settings (across both GPT 3.5 and 4).

Large language models (LLMs) have transformed natural language processing, but their reliable deployment requires effective uncertainty quantification (UQ). Existing UQ methods are often heuristic and lack a probabilistic foundation. This paper begins by providing a theoretical justification for the role of perturbations in UQ for LLMs. We then introduce a dual random walk perspective, modeling input-output pairs as two Markov chains with transition probabilities defined by semantic similarity. Building on this, we propose a fully probabilistic framework based on an inverse model, which quantifies uncertainty by evaluating the diversity of the input space conditioned on a given output through systematic perturbations. Within this framework, we define a new uncertainty measure, Inv-Entropy. A key strength of our framework is its flexibility: it supports various definitions of uncertainty measures, embeddings, perturbation strategies, and similarity metrics. We also propose GAAP, a perturbation algorithm based on genetic algorithms, which enhances the diversity of sampled inputs. In addition, we introduce a new evaluation metric, Temperature Sensitivity of Uncertainty (TSU), which directly assesses uncertainty without relying on correctness as a proxy. Extensive experiments demonstrate that Inv-Entropy outperforms existing semantic UQ methods. The code to reproduce the results can be found at https://github.com/UMDataScienceLab/Uncertainty-Quantification-for-LLMs.

Large language models (LLMs) can translate natural language into optimization code, but silent failures pose a critical risk: code that executes and returns solver-feasible solutions may encode semantically incorrect formulations, creating a feasibility-correctness gap of up to 90 percentage points on compositional problems. We introduce ReLoop, addressing silent failures from two complementary directions. Structured generation decomposes code production into a four-stage reasoning chain (understand, formalize, synthesize, verify) that mirrors expert modeling practice, with explicit variable-type reasoning and self-verification to prevent formulation errors at their source. Behavioral verification detects errors that survive generation by testing whether the formulation responds correctly to solver-based parameter perturbation, without requiring ground truth -- an external semantic signal that bypasses the self-consistency problem inherent in LLM-based code review. The two mechanisms are complementary: structured generation dominates on complex compositional problems, while behavioral verification becomes the largest single contributor on problems with localized formulation defects. Together with execution recovery via IIS-enhanced diagnostics, ReLoop raises correctness from 22.6% to 31.1% and execution from 72.1% to 100.0% on the strongest model, with consistent gains across five models spanning three paradigms (foundation, SFT, RL) and three benchmarks. We additionally release RetailOpt-190, 190 compositional retail optimization scenarios targeting the multi-constraint interactions where LLMs most frequently fail.

Verification is crucial for effective mathematical reasoning. We present a new temporal consistency method where verifiers iteratively refine their judgments based on the previous assessment. Unlike one-round verification or multi-model debate approaches, our method leverages consistency in a sequence of self-reflection actions to improve verification accuracy. Empirical evaluations across diverse mathematical process error identification benchmarks (Mathcheck, ProcessBench, and PRM800K) show consistent performance improvements over baseline methods. When applied to the recent DeepSeek R1 distilled models, our method demonstrates strong performance, enabling 7B/8B distilled models to outperform all 70B/72B models and GPT-4o on ProcessBench. Notably, the distilled 14B model with our method achieves performance comparable to Deepseek-R1. Our codes are available at https://github.com/jcguo123/Temporal-Consistency

In recent years, the non-deterministic properties of language models have garnered considerable attention and have shown a significant influence on real-world applications. However, such properties remain under-explored in machine translation (MT), a complex, non-deterministic NLP task. In this study, we systematically evaluate modern MT systems and identify temperature-constrained Non-Deterministic MT (ND-MT) as a distinct phenomenon. Additionally, we demonstrate that ND-MT exhibits significant potential in addressing the multi-modality issue that has long challenged MT research and provides higher-quality candidates than Deterministic MT (D-MT) under temperature constraints. However, ND-MT introduces new challenges in evaluating system performance. Specifically, the evaluation framework designed for D-MT fails to yield consistent evaluation results when applied to ND-MT. We further investigate this emerging challenge by evaluating five state-of-the-art ND-MT systems across three open datasets using both lexical-based and semantic-based metrics at varying sampling sizes. The results reveal a Buckets effect across these systems: the lowest-quality candidate generated by ND-MT consistently determines the overall system ranking across different sampling sizes for all reasonable metrics. Furthermore, we propose the ExpectoSample strategy to automatically assess the reliability of evaluation metrics for selecting robust ND-MT.

The widespread adoption of large language models (LLMs) makes it important to recognize their strengths and limitations. We argue that in order to develop a holistic understanding of these systems we need to consider the problem that they were trained to solve: next-word prediction over Internet text. By recognizing the pressures that this task exerts we can make predictions about the strategies that LLMs will adopt, allowing us to reason about when they will succeed or fail. This approach - which we call the teleological approach - leads us to identify three factors that we hypothesize will influence LLM accuracy: the probability of the task to be performed, the probability of the target output, and the probability of the provided input. We predict that LLMs will achieve higher accuracy when these probabilities are high than when they are low - even in deterministic settings where probability should not matter. To test our predictions, we evaluate two LLMs (GPT-3.5 and GPT-4) on eleven tasks, and we find robust evidence that LLMs are influenced by probability in the ways that we have hypothesized. In many cases, the experiments reveal surprising failure modes. For instance, GPT-4's accuracy at decoding a simple cipher is 51% when the output is a high-probability word sequence but only 13% when it is low-probability. These results show that AI practitioners should be careful about using LLMs in low-probability situations. More broadly, we conclude that we should not evaluate LLMs as if they are humans but should instead treat them as a distinct type of system - one that has been shaped by its own particular set of pressures.

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

Existing informal language-based (e.g., human language) Large Language Models (LLMs) trained with Reinforcement Learning (RL) face a significant challenge: their verification processes, which provide crucial training signals, are neither reliable nor scalable. In fact, the prevalent large proprietary models could hardly generate verifiable programs. A promising yet largely uncharted alternative is formal language-based reasoning. Grounding LLMs in rigorous formal systems where generative models operate in formal language spaces (e.g., Dafny) enables the automatic and mathematically provable verification of their reasoning processes and outcomes. This capability is pivotal for achieving large-scale, reliable formal software verification. It is a common practice to employ human-annotated chain-of-thought and other human priors to induce the reasoning and coding capabilities of LLMs. Unfortunately, it becomes unacceptably all-consuming to provide such priors for supervising complex programming tasks. In this work, we systematically explore ways to reduce human priors with the formal language, Dafny, as the main environment for our pilot study. Our pipeline mainly relies on introducing an automatic and scalable data curation pipeline, and careful RL designs integrated with feedback from the formal language verifier. We introduce DafnyComp, a benchmark of compositional formal programs with auto-formalized specifications for specification reasoning. Our supervised fine-tuning (SFT) stage enables even small models (e.g., 0.5B) to generate syntactically valid and verifiable Dafny code, surpassing proprietary models. RL with regularization further improves performance, achieving stronger generalization to out-of-domain tasks and outperforming all strong baselines on the challenging DafnyComp benchmark.

Step-by-step verifiers -- also known as process reward models (PRMs) -- are a key ingredient for test-time scaling. PRMs require step-level supervision, making them expensive to train. This work aims to build data-efficient PRMs as verbalized step-wise reward models that verify every step in the solution by generating a verification chain-of-thought (CoT). We propose ThinkPRM, a long CoT verifier fine-tuned on orders of magnitude fewer process labels than those required by discriminative PRMs. Our approach capitalizes on the inherent reasoning abilities of long CoT models, and outperforms LLM-as-a-Judge and discriminative verifiers -- using only 1% of the process labels in PRM800K -- across several challenging benchmarks. Specifically, ThinkPRM beats the baselines on ProcessBench, MATH-500, and AIME '24 under best-of-N selection and reward-guided search. In an out-of-domain evaluation on a subset of GPQA-Diamond and LiveCodeBench, our PRM surpasses discriminative verifiers trained on the full PRM800K by 8% and 4.5%, respectively. Lastly, under the same token budget, ThinkPRM scales up verification compute more effectively compared to LLM-as-a-Judge, outperforming it by 7.2% on a subset of ProcessBench. Our work highlights the value of generative, long CoT PRMs that can scale test-time compute for verification while requiring minimal supervision for training. Our code, data, and models will be released at https://github.com/mukhal/thinkprm.

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

Code verification has recently found great success as a critical component in training large scale reasoning models for coding. Synthetic techniques such as self-generated test cases and reward models provide a way to enhance code capabilities beyond predefined tests. Building on these advancements, we propose new benchmarks designed to systematically evaluate the impact of synthetic verification methods on assessing solution correctness. We introduce HE-R, HE-R+, MBPP-R, and MBPP-R+, which transform existing coding benchmarks into scoring and ranking datasets to evaluate the effectiveness of synthetic verifiers. Using these benchmarks, we analyze synthetic verification methods in standard, reasoning-based, and reward-based LLMs. Our results show that recent reasoning models significantly improve test case generation and that scaling test cases enhances verification accuracy.

Selecting the best code solution from multiple generated ones is an essential task in code generation, which can be achieved by using some reliable validators (e.g., developer-written test cases) for assistance. Since reliable test cases are not always available and can be expensive to build in practice, researchers propose to automatically generate test cases to assess code solutions. However, when both code solutions and test cases are plausible and not reliable, selecting the best solution becomes challenging. Although some heuristic strategies have been proposed to tackle this problem, they lack a strong theoretical guarantee and it is still an open question whether an optimal selection strategy exists. Our work contributes in two ways. First, we show that within a Bayesian framework, the optimal selection strategy can be defined based on the posterior probability of the observed passing states between solutions and tests. The problem of identifying the best solution is then framed as an integer programming problem. Second, we propose an efficient approach for approximating this optimal (yet uncomputable) strategy, where the approximation error is bounded by the correctness of prior knowledge. We then incorporate effective prior knowledge to tailor code generation tasks. Both theoretical and empirical studies confirm that existing heuristics are limited in selecting the best solutions with plausible test cases. Our proposed approximated optimal strategy B4 significantly surpasses existing heuristics in selecting code solutions generated by large language models (LLMs) with LLM-generated tests, achieving a relative performance improvement by up to 50% over the strongest heuristic and 246% over the random selection in the most challenging scenarios. Our code is publicly available at https://github.com/ZJU-CTAG/B4.

A great deal of effort has been devoted to reducing the risk of spurious scientific discoveries, from the use of sophisticated validation techniques, to deep statistical methods for controlling the false discovery rate in multiple hypothesis testing. However, there is a fundamental disconnect between the theoretical results and the practice of data analysis: the theory of statistical inference assumes a fixed collection of hypotheses to be tested, or learning algorithms to be applied, selected non-adaptively before the data are gathered, whereas in practice data is shared and reused with hypotheses and new analyses being generated on the basis of data exploration and the outcomes of previous analyses. In this work we initiate a principled study of how to guarantee the validity of statistical inference in adaptive data analysis. As an instance of this problem, we propose and investigate the question of estimating the expectations of m adaptively chosen functions on an unknown distribution given n random samples. We show that, surprisingly, there is a way to estimate an exponential in n number of expectations accurately even if the functions are chosen adaptively. This gives an exponential improvement over standard empirical estimators that are limited to a linear number of estimates. Our result follows from a general technique that counter-intuitively involves actively perturbing and coordinating the estimates, using techniques developed for privacy preservation. We give additional applications of this technique to our question.

Process reward models (PRMs) that provide dense, step-level feedback have shown promise for reinforcement learning, yet their adoption remains limited by the need for expensive step-level annotations or ground truth references. We propose SPARK: a three-stage framework where in the first stage a generator model produces diverse solutions and a verifier model evaluates them using parallel scaling (self-consistency) and sequential scaling (meta-critique). In the second stage, we use these verification outputs as synthetic training data to fine-tune generative process reward models, which subsequently serve as reward signals during training. We show that aggregating multiple independent verifications at the step level produces training data for process reward models that surpass ground-truth outcome supervision, achieving 67.5 F1 on ProcessBench (a benchmark for identifying erroneous steps in mathematical reasoning) compared to 66.4 for reference-guided training and 61.9 for GPT-4o. In the final stage, we apply our generative PRM with chain-of-thought verification (PRM-CoT) as the reward model in RL experiments on mathematical reasoning, and introduce format constraints to prevent reward hacking. Using Qwen2.5-Math-7B, we achieve 47.4% average accuracy across six mathematical reasoning benchmarks, outperforming ground-truth-based RLVR (43.9%). Our work enables reference-free RL training that exceeds ground-truth methods, opening new possibilities for domains lacking verifiable answers or accessible ground truth.

Large Language Models (LLMs) have catalyzed vibe coding, where users leverage LLMs to generate and iteratively refine code through natural language interactions until it passes their vibe check. Vibe check is tied to real-world human preference and goes beyond functionality: the solution should feel right, read cleanly, preserve intent, and remain correct. However, current code evaluation remains anchored to pass@k and captures only functional correctness, overlooking the non-functional instructions that users routinely apply. In this paper, we hypothesize that instruction following is the missing piece underlying vibe check that represents human preference in coding besides functional correctness. To quantify models' code instruction following capabilities with measurable signals, we present VeriCode, a taxonomy of 30 verifiable code instructions together with corresponding deterministic verifiers. We use the taxonomy to augment established evaluation suites, resulting in Vibe Checker, a testbed to assess both code instruction following and functional correctness. Upon evaluating 31 leading LLMs, we show that even the strongest models struggle to comply with multiple instructions and exhibit clear functional regression. Most importantly, a composite score of functional correctness and instruction following correlates the best with human preference, with the latter emerging as the primary differentiator on real-world programming tasks. Our work identifies core factors of the vibe check, providing a concrete path for benchmarking and developing models that better align with user preferences in coding.

There is growing excitement about the potential of Language Models (LMs) to accelerate scientific discovery. Falsifying hypotheses is key to scientific progress, as it allows claims to be iteratively refined over time. This process requires significant researcher effort, reasoning, and ingenuity. Yet current benchmarks for LMs predominantly assess their ability to generate solutions rather than challenge them. We advocate for developing benchmarks that evaluate this inverse capability - creating counterexamples for subtly incorrect solutions. To demonstrate this approach, we start with the domain of algorithmic problem solving, where counterexamples can be evaluated automatically using code execution. Specifically, we introduce REFUTE, a dynamically updating benchmark that includes recent problems and incorrect submissions from programming competitions, where human experts successfully identified counterexamples. Our analysis finds that the best reasoning agents, even OpenAI o3-mini (high) with code execution feedback, can create counterexamples for only <9% of incorrect solutions in REFUTE, even though ratings indicate its ability to solve up to 48% of these problems from scratch. We hope our work spurs progress in evaluating and enhancing LMs' ability to falsify incorrect solutions - a capability that is crucial for both accelerating research and making models self-improve through reliable reflective reasoning.

Software testing and verification are critical for ensuring the reliability and security of modern software systems. Traditionally, formal verification techniques, such as model checking and theorem proving, have provided rigorous frameworks for detecting bugs and vulnerabilities. However, these methods often face scalability challenges when applied to complex, real-world programs. Recently, the advent of Large Language Models (LLMs) has introduced a new paradigm for software analysis, leveraging their ability to understand insecure coding practices. Although LLMs demonstrate promising capabilities in tasks such as bug prediction and invariant generation, they lack the formal guarantees of classical methods. This paper presents a comprehensive study of state-of-the-art software testing and verification, focusing on three key approaches: classical formal methods, LLM-based analysis, and emerging hybrid techniques, which combine their strengths. We explore each approach's strengths, limitations, and practical applications, highlighting the potential of hybrid systems to address the weaknesses of standalone methods. We analyze whether integrating formal rigor with LLM-driven insights can enhance the effectiveness and scalability of software verification, exploring their viability as a pathway toward more robust and adaptive testing frameworks.

Quantifying uncertainty in large language models (LLMs) is important for safety-critical applications because it helps spot incorrect answers, known as hallucinations. One major trend of uncertainty quantification methods is based on estimating the entropy of the distribution of the LLM's potential output sequences. This estimation is based on a set of output sequences and associated probabilities obtained by querying the LLM several times. In this paper, we advocate and experimentally show that the probability of unobserved sequences plays a crucial role, and we recommend future research to integrate it to enhance such LLM uncertainty quantification methods.

Large Reasoning Models (LRMs) achieve strong performance by generating long reasoning traces with reflection. Through a large-scale empirical analysis, we find that a substantial fraction of reflective steps consist of self-verification (recheck) that repeatedly confirm intermediate results. These rechecks occur frequently across models and benchmarks, yet the vast majority are confirmatory rather than corrective, rarely identifying errors and altering reasoning outcomes. This reveals a mismatch between how often self-verification is activated and how often it is actually useful. Motivated by this, we propose a novel, experience-driven test-time framework that reduces the overused verification. Our method detects the activation of recheck behavior, consults an offline experience pool of past verification outcomes, and estimates whether a recheck is likely unnecessary via efficient retrieval. When historical experience suggests unnecessary, a suppression signal redirects the model to proceed. Across multiple model and benchmarks, our approach reduces token usage up to 20.3% while maintaining the accuracy, and in some datasets even yields accuracy improvements.

Probabilistic model checking is a technique for formal automated reasoning about software or hardware systems that operate in the context of uncertainty or stochasticity. It builds upon ideas and techniques from a diverse range of fields, from logic, automata and graph theory, to optimisation, numerical methods and control. In recent years, probabilistic model checking has also been extended to integrate ideas from game theory, notably using models such as stochastic games and solution concepts such as equilibria, to formally verify the interaction of multiple rational agents with distinct objectives. This provides a means to reason flexibly about agents acting in either an adversarial or a collaborative fashion, and opens up opportunities to tackle new problems within, for example, artificial intelligence, robotics and autonomous systems. In this paper, we summarise some of the advances in this area, and highlight applications for which they have already been used. We discuss how the strengths of probabilistic model checking apply, or have the potential to apply, to the multi-agent setting and outline some of the key challenges required to make further progress in this field.

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

The rapid proliferation of Large Language Models (LLMs) and diverse specialized benchmarks necessitates a shift from fragmented, task-specific metrics to a holistic, competitive ranking system that effectively aggregates performance across multiple ability dimensions. Primarily using static scoring, current evaluation methods are fundamentally limited. They struggle to determine the proper mix ratio across diverse benchmarks, and critically, they fail to capture a model's dynamic competitive fitness or its vulnerability when confronted with sequential, high-stakes tasks. To address this, we introduce the novel Competitive Swiss-System Dynamics (CSD) framework. CSD simulates a multi-round, sequential contest where models are dynamically paired across a curated sequence of benchmarks based on their accumulated win-loss record. And Monte Carlo Simulation (N=100,000 iterations) is used to approximate the statistically robust Expected Win Score (E[S_m]), which eliminates the noise of random pairing and early-round luck. Furthermore, we implement a Failure Sensitivity Analysis by parameterizing the per-round elimination quantity (T_k), which allows us to profile models based on their risk appetite--distinguishing between robust generalists and aggressive specialists. We demonstrate that CSD provides a more nuanced and context-aware ranking than traditional aggregate scoring and static pairwise models, representing a vital step towards risk-informed, next-generation LLM evaluation.

The recent performance leap of Large Language Models (LLMs) opens up new opportunities across numerous industrial applications and domains. However, erroneous generations, such as false predictions, misinformation, and hallucination made by LLMs, have also raised severe concerns for the trustworthiness of LLMs', especially in safety-, security- and reliability-sensitive scenarios, potentially hindering real-world adoptions. While uncertainty estimation has shown its potential for interpreting the prediction risks made by general machine learning (ML) models, little is known about whether and to what extent it can help explore an LLM's capabilities and counteract its undesired behavior. To bridge the gap, in this paper, we initiate an exploratory study on the risk assessment of LLMs from the lens of uncertainty. In particular, we experiment with twelve uncertainty estimation methods and four LLMs on four prominent natural language processing (NLP) tasks to investigate to what extent uncertainty estimation techniques could help characterize the prediction risks of LLMs. Our findings validate the effectiveness of uncertainty estimation for revealing LLMs' uncertain/non-factual predictions. In addition to general NLP tasks, we extensively conduct experiments with four LLMs for code generation on two datasets. We find that uncertainty estimation can potentially uncover buggy programs generated by LLMs. Insights from our study shed light on future design and development for reliable LLMs, facilitating further research toward enhancing the trustworthiness of LLMs.

Large Language Models (LLMs) show remarkable capabilities, yet their stochastic next-token prediction creates logical inconsistencies and reward hacking that formal symbolic systems avoid. To bridge this gap, we introduce a formal logic verification-guided framework that dynamically interleaves formal symbolic verification with the natural language generation process, providing real-time feedback to detect and rectify errors as they occur. Distinguished from previous neuro-symbolic methods limited by passive post-hoc validation, our approach actively penalizes intermediate fallacies during the reasoning chain. We operationalize this framework via a novel two-stage training pipeline that synergizes formal logic verification-guided supervised fine-tuning and policy optimization. Extensive evaluation on six benchmarks spanning mathematical, logical, and general reasoning demonstrates that our 7B and 14B models outperform state-of-the-art baselines by average margins of 10.4% and 14.2%, respectively. These results validate that formal verification can serve as a scalable mechanism to significantly push the performance boundaries of advanced LLM reasoning.

Large language models (LLMs) increasingly rely on reinforcement learning (RL) to enhance their reasoning capabilities through feedback. A critical challenge is verifying the consistency of model-generated responses and reference answers, since these responses are often lengthy, diverse, and nuanced. Rule-based verifiers struggle with complexity, prompting the use of model-based verifiers. However, specialized verifiers lack flexibility, while general LLM judges can be inconsistent. Existing research primarily focuses on building better verifiers, yet a systematic evaluation of different types of verifiers' performance across domains remains lacking, severely constraining the reliable development of Reinforcement Learning with Verifiable Reward (RLVR). To address this, we propose VerifyBench--a cross-domain comprehensive benchmark for systematically evaluating verifiers. We construct 4,000 expert-level questions covering mathematics, physics, chemistry, and biology. Each question is equipped with reference answers and diverse responses. The reliability of the evaluation is ensured through a rigorous annotation process conducted by a multidisciplinary expert team. We design a four-dimensional experimental framework to comprehensively compare the performance boundaries of specialized verifiers and general LLMs under combined conditions of extracted answers vs. complete responses, and short vs. long outputs. Our evaluation uncovers fundamental trade-offs in verifiers: while specialized verifiers achieve leading accuracy, they exhibit deficiencies in recall; general models show stronger inclusivity but unstable precision. More importantly, we discover verifiers' high sensitivity to input structure and inherent limitations in cross-domain generalization, providing critical insights into the bottlenecks of current verifier technology.

The key limitation of the verification performance lies in the ability of error detection. With this intuition we designed several variants of pessimistic verification, which are simple workflows that could significantly improve the verification of open-ended math questions. In pessimistic verification we construct multiple parallel verifications for the same proof, and the proof is deemed incorrect if any one of them reports an error. This simple technique significantly improves the performance across many math verification benchmarks without incurring substantial computational resources. Its token efficiency even surpassed extended long-CoT in test-time scaling. Our case studies further indicate that the majority of false negatives in stronger models are actually caused by annotation errors in the original dataset, so our method's performance is in fact underestimated. Self-verification for mathematical problems can effectively improve the reliability and performance of language model outputs, and it also plays a critical role in enabling long-horizon mathematical tasks. We believe that research on pessimistic verification will help enhance the mathematical capabilities of language models across a wide range of tasks.

Large language models (LLMs) are often augmented with tools to solve complex tasks. By generating code snippets and executing them through task-specific Application Programming Interfaces (APIs), they can offload certain functions to dedicated external modules, such as image encoding and performing calculations. However, most existing approaches to augment LLMs with tools are constrained by general-purpose APIs and lack the flexibility for tailoring them to specific tasks. In this work, we present CRAFT, a general tool creation and retrieval framework for LLMs. It creates toolsets specifically curated for the tasks and equips LLMs with a component that retrieves tools from these sets to enhance their capability to solve complex tasks. For each task, we collect specific code solutions by prompting GPT-4 to solve the training examples. Following a validation step ensuring the correctness, these solutions are abstracted into code snippets to enhance reusability, and deduplicated for higher quality. At inference time, the language model retrieves snippets from the toolsets and then executes them or generates the output conditioning on the retrieved snippets. Our method is designed to be flexible and offers a plug-and-play approach to adapt off-the-shelf LLMs to unseen domains and modalities, without any finetuning. Experiments on vision-language, tabular processing, and mathematical reasoning tasks show that our approach achieves substantial improvements compared to strong baselines. In addition, our in-depth analysis reveals that: (1) consistent performance improvement can be achieved by scaling up the number of tools and the capability of the backbone models; (2) each component of our approach contributes to the performance gains; (3) the created tools are well-structured and reliable with low complexity and atomicity. The code is available at https://github.com/lifan-yuan/CRAFT.

Formal verification is the next frontier for ensuring the correctness of code generated by Large Language Models (LLMs). While methods that co-generate code and formal specifications in formal languages, like Dafny, can, in principle, prove alignment with user intent, progress is bottlenecked by specification quality evaluation. Current benchmarks rely on matching against ground-truth specifications, a manual and expertise-intensive process that has limited existing datasets to a few hundred simple problems and also suffers from a reliability issue. To address this, we introduce VeriEquivBench, a new benchmark with 2,389 complex algorithmic problems that probe the limitations of current models in both code generation and formal reasoning. Our evaluation framework replaces ground-truth matching with a formally grounded metric, the equivalence score, and rigorously verifies the quality of generated specifications and code. Our results show that generating formally verifiable code remains a profound challenge for state-of-the-art LLMs. This underscores both the difficulty of the task and the need for benchmarks like VeriEquivBench to drive progress toward scalable and reliable coding agents.

Large language models for code generation increasingly rely on synthetic data, where both problem solutions and verification tests are generated by models. While this enables scalable data creation, it introduces a previously unexplored bottleneck: the verification ceiling, in which the quality and diversity of training data are fundamentally constrained by the capabilities of synthetic verifiers. In this work, we systematically study how verification design and strategies influence model performance. We investigate (i) what we verify by analyzing the impact of test complexity and quantity: richer test suites improve code generation capabilities (on average +3 pass@1), while quantity alone yields diminishing returns, (ii) how we verify by exploring relaxed pass thresholds: rigid 100% pass criteria can be overly restrictive. By allowing for relaxed thresholds or incorporating LLM-based soft verification, we can recover valuable training data, leading to a 2-4 point improvement in pass@1 performance. However, this benefit is contingent upon the strength and diversity of the test cases used, and (iii) why verification remains necessary through controlled comparisons of formally correct versus incorrect solutions and human evaluation: retaining diverse correct solutions per problem yields consistent generalization gains. Our results show that Verification as currently practiced is too rigid, filtering out valuable diversity. But it cannot be discarded, only recalibrated. By combining calibrated verification with diverse, challenging problem-solution pairs, we outline a path to break the verification ceiling and unlock stronger code generation models.

While the evaluation of explanations is an important step towards trustworthy models, it needs to be done carefully, and the employed metrics need to be well-understood. Specifically model randomization testing is often overestimated and regarded as a sole criterion for selecting or discarding certain explanation methods. To address shortcomings of this test, we start by observing an experimental gap in the ranking of explanation methods between randomization-based sanity checks [1] and model output faithfulness measures (e.g. [25]). We identify limitations of model-randomization-based sanity checks for the purpose of evaluating explanations. Firstly, we show that uninformative attribution maps created with zero pixel-wise covariance easily achieve high scores in this type of checks. Secondly, we show that top-down model randomization preserves scales of forward pass activations with high probability. That is, channels with large activations have a high probility to contribute strongly to the output, even after randomization of the network on top of them. Hence, explanations after randomization can only be expected to differ to a certain extent. This explains the observed experimental gap. In summary, these results demonstrate the inadequacy of model-randomization-based sanity checks as a criterion to rank attribution methods.

Same-model self-verification, prompting a model to audit its own predicted answer, is a plausible confidence signal for selective prediction, but its practical value remains unclear once strong likelihood-based baselines are taken seriously. We evaluate self-verification against two such baselines, LL-AVG and LL-SUM, on ARC-Challenge and TruthfulQA-MC across multiple model families, scales, and prompt variants. We measure not only correctness ranking, but also abstention quality through AURC and operating-point analyses. The results are sharply task- and model-dependent. On ARC-Challenge, self-verification substantially improves over LL-AVG for Phi-2 and the Qwen models, with the largest gains appearing in Qwen-7B. On TruthfulQA-MC, however, the signal is less reliable: smaller models can become prompt-sensitive, DeepSeek-R1-Distill-8B degrades relative to LL-AVG, and LL-SUM often remains the stronger practical baseline. We therefore do not treat self-verification as a general-purpose uncertainty estimator. In this setting, it is better understood as a conditional confidence signal whose value depends on task type, model family, prompt formulation, and, crucially, the baseline it must beat.

Answer verification is crucial not only for evaluating large language models (LLMs) by matching their unstructured outputs against standard answers, but also serves as the reward model to guide LLM optimization. Most evaluation frameworks rely on regularized matching or employ general LLMs for answer verification, which demands extensive, repetitive customization for regex rules or evaluation prompts. Two fundamental limitations persist in current methodologies: 1) the absence of comprehensive benchmarks that systematically evaluate verification capabilities across different LLMs; and 2) the nascent stage of verifier development, where existing approaches lack both the robustness to handle complex edge cases and the generalizability across different domains. In this work, we develop CompassVerifier, an accurate and robust lightweight verifier model for evaluation and outcome reward. It demonstrates multi-domain competency spanning math, knowledge, and diverse reasoning tasks, with the capability to process various answer types, including multi-subproblems, formulas, and sequence answers, while effectively identifying abnormal/invalid responses. We introduce VerifierBench benchmark comprising model outputs collected from multiple data sources, augmented through manual analysis of metaerror patterns to enhance CompassVerifier. We anticipate that CompassVerifier and VerifierBench will facilitate answer verification, evaluation protocols, and reinforcement learning research. Code and dataset are available at https://github.com/open-compass/CompassVerifier.

The reliability of large language models (LLMs) during test-time scaling is often assessed with external verifiers or reward models that distinguish correct reasoning from flawed logic. Prior work generally assumes that process reward models (PRMs), which score every intermediate reasoning step, outperform outcome reward models (ORMs) that assess only the final answer. This view is based mainly on evidence from narrow, math-adjacent domains. We present the first unified evaluation of four reward model variants, discriminative ORM and PRM (\DisORM, \DisPRM) and generative ORM and PRM (\GenORM, \GenPRM), across 14 diverse domains. Contrary to conventional wisdom, we find that (i) \DisORM performs on par with \DisPRM, (ii) \GenPRM is not competitive, and (iii) overall, \GenORM is the most robust, yielding significant and consistent gains across every tested domain. We attribute this to PRM-style stepwise scoring, which inherits label noise from LLM auto-labeling and has difficulty evaluating long reasoning trajectories, including those involving self-correcting reasoning. Our theoretical analysis shows that step-wise aggregation compounds errors as reasoning length grows, and our empirical observations confirm this effect. These findings challenge the prevailing assumption that fine-grained supervision is always better and support generative outcome verification for multi-domain deployment. We publicly release our code, datasets, and checkpoints at https://github.com/db-Lee/Multi-RM{\small\texttt{https://github.com/db-Lee/Multi-RM}} to facilitate future research in multi-domain settings.

In recent years, significant progress has been made in solving challenging problems across various domains using deep reinforcement learning (RL). Reproducing existing work and accurately judging the improvements offered by novel methods is vital to sustaining this progress. Unfortunately, reproducing results for state-of-the-art deep RL methods is seldom straightforward. In particular, non-determinism in standard benchmark environments, combined with variance intrinsic to the methods, can make reported results tough to interpret. Without significance metrics and tighter standardization of experimental reporting, it is difficult to determine whether improvements over the prior state-of-the-art are meaningful. In this paper, we investigate challenges posed by reproducibility, proper experimental techniques, and reporting procedures. We illustrate the variability in reported metrics and results when comparing against common baselines and suggest guidelines to make future results in deep RL more reproducible. We aim to spur discussion about how to ensure continued progress in the field by minimizing wasted effort stemming from results that are non-reproducible and easily misinterpreted.

A promising research direction in enabling LLMs to generate consistently correct code involves addressing their inability to properly estimate program execution, particularly for code they generate. In this work, we demonstrate that Code LLMs can be trained to simulate program execution in a step-by-step manner and that this capability can be leveraged to improve competitive programming performance. Our approach combines supervised fine-tuning on natural language execution traces, textual explanations grounded in true execution, with reinforcement learning using verifiable rewards. We introduce two complementary objectives: output prediction given code and inputs, and solving competitive programming tasks with either ground-truth or self-predicted execution feedback. These objectives enable models to perform self-verification over multiple candidate solutions, and iterative self-fixing by simulating test execution. Across multiple competitive programming benchmarks, our method yields consistent improvements over standard reasoning approaches. We further present ablations and analysis to elucidate the role of execution simulation and its limitations.

Reliable probability estimation is of crucial importance in many real-world applications where there is inherent (aleatoric) uncertainty. Probability-estimation models are trained on observed outcomes (e.g. whether it has rained or not, or whether a patient has died or not), because the ground-truth probabilities of the events of interest are typically unknown. The problem is therefore analogous to binary classification, with the difference that the objective is to estimate probabilities rather than predicting the specific outcome. This work investigates probability estimation from high-dimensional data using deep neural networks. There exist several methods to improve the probabilities generated by these models but they mostly focus on model (epistemic) uncertainty. For problems with inherent uncertainty, it is challenging to evaluate performance without access to ground-truth probabilities. To address this, we build a synthetic dataset to study and compare different computable metrics. We evaluate existing methods on the synthetic data as well as on three real-world probability estimation tasks, all of which involve inherent uncertainty: precipitation forecasting from radar images, predicting cancer patient survival from histopathology images, and predicting car crashes from dashcam videos. We also give a theoretical analysis of a model for high-dimensional probability estimation which reproduces several of the phenomena evinced in our experiments. Finally, we propose a new method for probability estimation using neural networks, which modifies the training process to promote output probabilities that are consistent with empirical probabilities computed from the data. The method outperforms existing approaches on most metrics on the simulated as well as real-world data.

The standard paradigm for solving coding tasks via large language models (LLMs) is to generate-then-rank programs, where the latter step uses a verifier in the ranking process. The growing consensus is that a comprehensive verifier (e.g., a full test suite) should be prioritized over an outcome reward model (ORM) whenever possible, with little consideration given to the trade-offs involved. We aim to challenge this assumption by systematically exploring the tradeoff between speed and accuracy. We find that ORMs play a crucial role in scaling verification through trading accuracy for speed, even when a comprehensive verifier is available. Their value becomes especially apparent when used in a generate-prune-then-rank approach, where a faster but less accurate verifier removes incorrect solutions prior to ranking -- leading to a system that is 11.65x faster while only being 8.33% less accurate than the full test suite. We analyze the generate-prune-then-rank approach and show that it works by filtering out incorrect but highly ranked solutions. These findings enable the design of scalable and accurate program ranking systems.

As a vital stage of automated rule checking (ARC), rule interpretation of regulatory texts requires considerable effort. However, interpreting regulatory clauses with implicit properties or complex computational logic is still challenging due to the lack of domain knowledge and limited expressibility of conventional logic representations. Thus, LLM-FuncMapper, an approach to identifying predefined functions needed to interpret various regulatory clauses based on the large language model (LLM), is proposed. First, by systematically analysis of building codes, a series of atomic functions are defined to capture shared computational logics of implicit properties and complex constraints, creating a database of common blocks for interpreting regulatory clauses. Then, a prompt template with the chain of thought is developed and further enhanced with a classification-based tuning strategy, to enable common LLMs for effective function identification. Finally, the proposed approach is validated with statistical analysis, experiments, and proof of concept. Statistical analysis reveals a long-tail distribution and high expressibility of the developed function database, with which almost 100% of computer-processible clauses can be interpreted and represented as computer-executable codes. Experiments show that LLM-FuncMapper achieve promising results in identifying relevant predefined functions for rule interpretation. Further proof of concept in automated rule interpretation also demonstrates the possibility of LLM-FuncMapper in interpreting complex regulatory clauses. To the best of our knowledge, this study is the first attempt to introduce LLM for understanding and interpreting complex regulatory clauses, which may shed light on further adoption of LLM in the construction domain.

Having reliable specifications is an unavoidable challenge in achieving verifiable correctness, robustness, and interpretability of AI systems. Existing specifications for neural networks are in the paradigm of data as specification. That is, the local neighborhood centering around a reference input is considered to be correct (or robust). While existing specifications contribute to verifying adversarial robustness, a significant problem in many research domains, our empirical study shows that those verified regions are somewhat tight, and thus fail to allow verification of test set inputs, making them impractical for some real-world applications. To this end, we propose a new family of specifications called neural representation as specification, which uses the intrinsic information of neural networks - neural activation patterns (NAPs), rather than input data to specify the correctness and/or robustness of neural network predictions. We present a simple statistical approach to mining neural activation patterns. To show the effectiveness of discovered NAPs, we formally verify several important properties, such as various types of misclassifications will never happen for a given NAP, and there is no ambiguity between different NAPs. We show that by using NAP, we can verify a significant region of the input space, while still recalling 84% of the data on MNIST. Moreover, we can push the verifiable bound to 10 times larger on the CIFAR10 benchmark. Thus, we argue that NAPs can potentially be used as a more reliable and extensible specification for neural network verification.

As large language models (LLMs) are increasingly applied to scientific reasoning, the complexity of answer formats and the diversity of equivalent expressions make answer verification a critical yet challenging task. Existing verification studies in scientific domains suffer from two major limitations: (a) the absence of systematic evaluation standards and insufficient disciplinary coverage, which hinders their comprehensive assessment; and (b) heavy reliance on cumbersome rule design or prompt engineering, which reduces their effectiveness in complex reasoning scenarios or limits their cross-disciplinary generalization. To address these challenges, we propose solutions at both the data and model levels. On the data side, we construct SCI-VerifyBench, a cross-disciplinary benchmark covering mathematics, physics, biology, chemistry, and general scientific QA. The benchmark is built from real LLM responses and enhanced with domain-specific equivalence transformations that generate challenging and realistic data. Model-based and expert annotations ensure both quality and diversity, enabling rigorous evaluation of verification ability. On the model side, we emphasize the importance of reasoning for verification and introduce SCI-Verifier, a unified reasoning-augmented verifier for scientific domains. Through post-training, SCI-Verifier demonstrates strong logical reasoning and equivalence judgment capabilities while maintaining concise and stable outputs. Together, SCI-VerifyBench and SCI-Verifier provide a principled framework for scientific verification, offering both systematic evaluation and practical pathways to enhance the reliability and applicability of LLMs in scientific domains.

In this work, we propose a novel method named Automated Process-Supervised Verifier (\textsc{AutoPSV}) to enhance the reasoning capabilities of large language models (LLMs) by automatically annotating the reasoning steps. AutoPSV begins by training a verification model on the correctness of final answers, enabling it to generate automatic process annotations. This verification model assigns a confidence score to each reasoning step, indicating the probability of arriving at the correct final answer from that point onward. We detect relative changes in the verification's confidence scores across reasoning steps to automatically annotate the reasoning process, enabling error detection even in scenarios where ground truth answers are unavailable. This alleviates the need for numerous manual annotations or the high computational costs associated with model-induced annotation approaches. We experimentally validate that the step-level confidence changes learned by the verification model trained on the final answer correctness can effectively identify errors in the reasoning steps. We demonstrate that the verification model, when trained on process annotations generated by AutoPSV, exhibits improved performance in selecting correct answers from multiple LLM-generated outputs. Notably, we achieve substantial improvements across five datasets in mathematics and commonsense reasoning. The source code of AutoPSV is available at https://github.com/rookie-joe/AutoPSV.

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

In question-answering tasks, determining when to trust the outputs is crucial to the alignment of large language models (LLMs). Kuhn et al. (2023) introduces semantic entropy as a measure of uncertainty, by incorporating linguistic invariances from the same meaning. It primarily relies on setting threshold to measure the level of semantic equivalence relation. We propose a more nuanced framework that extends beyond such thresholding by developing a Shapley-based uncertainty metric that captures the continuous nature of semantic relationships. We establish three fundamental properties that characterize valid uncertainty metrics and prove that our Shapley uncertainty satisfies these criteria. Through extensive experiments, we demonstrate that our Shapley uncertainty more accurately predicts LLM performance in question-answering and other datasets, compared to similar baseline measures.

Answer verification methods are widely employed in language model training pipelines spanning data curation, evaluation, and reinforcement learning with verifiable rewards (RLVR). While prior work focus on developing unified verifiers applicable across multiple reasoning scenarios, significant challenges remain in computation-oriented scientific domains, such as algebraic equivalence checking and physical constant substitution. In this paper, we introduce \model, a tool-augmented verifier that leverages external executors to perform precise computations and symbolic simplifications. \model enables robust verification that goes beyond simple semantic matching. We propose a novel two-stage pipeline, which begin with cold-start fine-tuning and followed by multi-turn reinforcement learning with tool integration. Extensive experiments conducted on STEM subjects, general QA, and long-form reasoning tasks demonstrates strong generalization of \model. The results shows that the \model achieves state-of-the-art performance on VerifyBench-Hard and SCI-Bench. And we also employ our \model in RLVR as a reward model, the results show that it consistently outperforms both rubric-based and model-based verifiers on AIME'24 and AIME'25, demonstrating strong potential to enhance reasoning capabilities of LLM. Our model is released at https://huggingface.co/Nanbeige/CoSineVerifier-Tool-4B{https://huggingface.co/Nanbeige/CoSineVerifier-Tool-4B}.

We introduce UnpredictaBench, an evaluation that tests the ability of large language models (LLMs) to capture true underlying distributions. As LLMs are increasingly used as substitutes for other entities (e.g., for humans in economic simulations), the tendency of many models to collapse towards a single plausible answer means a failure to capture the unpredictability of real systems. Recent work on improving output diversity is insufficient for this setting: simulation requires samples that are calibrated to a target distribution, not merely varied outputs. UnpredictaBench isolates a simplified but fundamental version of this problem: sampling outcomes from individual target distributions, including canonical statistical distributions, distributions induced by stochastic programs, and natural-language scenarios that describe random processes. We introduce 448 such problems together with KS@N, a general-purpose evaluation metric that quantifies how well a model outputs approximate black-box target distributions via the Kolmogorov-Smirnov statistical test. This is the rate at which we fail to reject model samples of size N against ground-truth samples, with larger N indicating greater difficulty. Tested across open and proprietary models, we find a large spread in distributional capabilities. For instance, when models generate samples of size 100 (KS@100, our standard metric), scores range from near 0 to over 20%. No model is able to achieve over 40% at KS@100, showing significant headroom in distributional sampling as a capability. Although adding reasoning can somewhat increase scores, we find no immediate solution for this issue. UnpredictaBench shows that even simple distributional simulation remains challenging, making it a necessary first step toward using LLMs as stand-ins for complex systems.

Large language model (LLM)-based reasoning systems have recently achieved gold medal-level performance in the IMO 2025 competition, writing mathematical proofs where, to receive full credit, each step must be not only correct but also sufficiently supported. To train LLM-based reasoners in such challenging, open-ended settings, strong verifiers capable of catching step-level mistakes are necessary prerequisites. We introduce Hard2Verify, a human-annotated, step-level verification benchmark produced with over 500 hours of human labor. Hard2Verify is designed to rigorously assess step-level verifiers at the frontier: Verifiers must provide step-level annotations or identify the first error in responses generated by frontier LLMs for very recent, challenging, and open-ended math questions. We evaluate 29 generative critics and process reward models, demonstrating that, beyond a few standouts, open-source verifiers lag closed source models. We subsequently analyze what drives poor performance in step-level verification, the impacts of scaling verifier compute, as well as fundamental questions such as self-verification and verification-generation dynamics.

Solving problems through tool use under explicit constraints constitutes a highly challenging yet unavoidable scenario for large language models (LLMs), requiring capabilities such as function calling, instruction following, and self-refinement. However, progress has been hindered by the absence of dedicated evaluations. To address this, we introduce CCTU, a benchmark for evaluating LLM tool use under complex constraints. CCTU is grounded in a taxonomy of 12 constraint categories spanning four dimensions (i.e., resource, behavior, toolset, and response). The benchmark comprises 200 carefully curated and challenging test cases across diverse tool-use scenarios, each involving an average of seven constraint types and an average prompt length exceeding 4,700 tokens. To enable reliable evaluation, we develop an executable constraint validation module that performs step-level validation and enforces compliance during multi-turn interactions between models and their environments. We evaluate nine state-of-the-art LLMs in both thinking and non-thinking modes. Results indicate that when strict adherence to all constraints is required, no model achieves a task completion rate above 20%. Further analysis reveals that models violate constraints in over 50% of cases, particularly in the resource and response dimensions. Moreover, LLMs demonstrate limited capacity for self-refinement even after receiving detailed feedback on constraint violations, highlighting a critical bottleneck in the development of robust tool-use agents. To facilitate future research, we release the data and code.

Large language models (LLMs) produce outputs with varying levels of uncertainty, and, just as often, varying levels of correctness; making their practical reliability far from guaranteed. To quantify this uncertainty, we systematically evaluate four approaches for confidence estimation in LLM outputs: VCE, MSP, Sample Consistency, and CoCoA (Vashurin et al., 2025). For the evaluation of the approaches, we conduct experiments on four question-answering tasks using a state-of-the-art open-source LLM. Our results show that each uncertainty metric captures a different facet of model confidence and that the hybrid CoCoA approach yields the best reliability overall, improving both calibration and discrimination of correct answers. We discuss the trade-offs of each method and provide recommendations for selecting uncertainty measures in LLM applications.

We introduce a method to measure uncertainty in large language models. For tasks like question answering, it is essential to know when we can trust the natural language outputs of foundation models. We show that measuring uncertainty in natural language is challenging because of "semantic equivalence" -- different sentences can mean the same thing. To overcome these challenges we introduce semantic entropy -- an entropy which incorporates linguistic invariances created by shared meanings. Our method is unsupervised, uses only a single model, and requires no modifications to off-the-shelf language models. In comprehensive ablation studies we show that the semantic entropy is more predictive of model accuracy on question answering data sets than comparable baselines.

Current research on the Decompose-Then-Verify paradigm for evaluating the factuality of long-form text typically treats decomposition and verification in isolation, overlooking their interactions and potential misalignment. We find that existing decomposition policies, typically hand-crafted demonstrations, do not align well with downstream verifiers in terms of atomicity -- a novel metric quantifying information density -- leading to suboptimal verification results. We formulate finding the optimal decomposition policy for optimal verification as a bilevel optimization problem. To approximate a solution for this strongly NP-hard problem, we propose dynamic decomposition, a reinforcement learning framework that leverages verifier feedback to learn a policy for dynamically decomposing claims to verifier-preferred atomicity. Experimental results show that dynamic decomposition outperforms existing decomposition policies, improving verification confidence by 0.07 and accuracy by 0.12 (on a 0-1 scale) on average across varying verifiers, datasets, and atomcities of input claims.

Next token prediction paradigm has been prevailing for autoregressive models in the era of LLMs. The current default sampling choice for popular LLMs is temperature scaling together with nucleus sampling to balance diversity and coherence. Nevertheless, such approach leads to inferior performance in various NLP tasks when the model is not certain about testing questions. To this end, we propose a brand new training-free decoding strategy, dubbed as Cautious Next Token Prediction (CNTP). In the decoding process, if the model has comparatively high prediction entropy at a certain step, we sample multiple trials starting from the step independently and stop when encountering any punctuation. Then we select the trial with the lowest perplexity score viewed as the most probable and reliable trial path given the model's capacity. The trial number is negatively correlated with the prediction confidence, i.e., the less confident the model is, the more trials it should sample. This is consistent with human beings' behaviour: when feeling uncertain or unconfident, one tends to think more creatively, exploring multiple thinking paths, to cautiously select the path one feels most confident about. Extensive experiments on both LLMs and MLLMs show that our proposed CNTP approach outperforms existing standard decoding strategies consistently by a clear margin. Moreover, the integration of CNTP with self consistency can further improve over vanilla self consistency. We believe our proposed CNTP has the potential to become one of the default choices for LLM decoding. Code is available at https://github.com/wyzjack/CNTP.

Autoformalization plays a crucial role in formal mathematical reasoning by enabling the automatic translation of natural language statements into formal languages. While recent advances using large language models (LLMs) have shown promising results, methods for automatically evaluating autoformalization remain underexplored. As one moves to more complex domains (e.g., advanced mathematics), human evaluation requires significant time and domain expertise, especially as the complexity of the underlying statements and background knowledge increases. LLM-as-a-judge presents a promising approach for automating such evaluation. However, existing methods typically employ coarse-grained and generic evaluation criteria, which limit their effectiveness for advanced formal mathematical reasoning, where quality hinges on nuanced, multi-granular dimensions. In this work, we take a step toward addressing this gap by introducing a systematic, automatic method to evaluate autoformalization tasks. The proposed method is based on an epistemically and formally grounded ensemble (EFG) of LLM judges, defined on criteria encompassing logical preservation (LP), mathematical consistency (MC), formal validity (FV), and formal quality (FQ), resulting in a transparent assessment that accounts for different contributing factors. We validate the proposed framework to serve as a proxy for autoformalization assessment within the domain of formal mathematics. Overall, our experiments demonstrate that the EFG ensemble of LLM judges is a suitable emerging proxy for evaluation, more strongly correlating with human assessments than a coarse-grained model, especially when assessing formal qualities. These findings suggest that LLM-as-judges, especially when guided by a well-defined set of atomic properties, could offer a scalable, interpretable, and reliable support for evaluating formal mathematical reasoning.

Large Language Models (LLMs) are increasingly employed in real-world applications, driving the need to evaluate the trustworthiness of their generated text. To this end, reliable uncertainty estimation is essential. Since current LLMs generate text autoregressively through a stochastic process, the same prompt can lead to varying outputs. Consequently, leading uncertainty estimation methods generate and analyze multiple output sequences to determine the LLM's uncertainty. However, generating output sequences is computationally expensive, making these methods impractical at scale. In this work, we inspect the theoretical foundations of the leading methods and explore new directions to enhance their computational efficiency. Building on the framework of proper scoring rules, we find that the negative log-likelihood of the most likely output sequence constitutes a theoretically grounded uncertainty measure. To approximate this alternative measure, we propose G-NLL, which has the advantage of being obtained using only a single output sequence generated by greedy decoding. This makes uncertainty estimation more efficient and straightforward, while preserving theoretical rigor. Empirical results demonstrate that G-NLL achieves state-of-the-art performance across various LLMs and tasks. Our work lays the foundation for efficient and reliable uncertainty estimation in natural language generation, challenging the necessity of more computationally involved methods currently leading the field.

Reliable evaluation is fundamental to the progress of Large Language Models (LLMs), yet the evaluation process during pre-training is plagued by significant instability that obscures true learning dynamics. In this work, we systematically diagnose this instability, attributing it to two distinct sources: Parameter Instability from training stochasticity and Evaluation Instability from noisy measurement protocols. To counteract both sources of noise, we introduce MaP, a dual-pronged framework that synergistically integrates checkpoint Merging and the Pass@k metric. Checkpoint merging smooths the parameter space by averaging recent model weights, while Pass@k provides a robust, low-variance statistical estimate of model capability. Extensive experiments show that MaP yields significantly smoother performance curves, reduces inter-run variance, and ensures more consistent model rankings. Ultimately, MaP provides a more reliable and faithful lens for observing LLM training dynamics, laying a crucial empirical foundation for LLM research.

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.

Large language models have demonstrated remarkable capabilities in complex mathematical reasoning tasks, but they inevitably generate errors throughout multi-step solutions. Process-level Reward Models (PRMs) have shown great promise by providing supervision and evaluation at each intermediate step, thereby effectively improving the models' reasoning abilities. However, training effective PRMs requires high-quality process reward data, yet existing methods for constructing such data are often labour-intensive or inefficient. In this paper, we propose an uncertainty-driven framework for automated process reward data construction, encompassing both data generation and annotation processes for PRMs. Additionally, we identify the limitations of both majority vote and PRMs, and introduce two generic uncertainty-aware output aggregation methods: Hybrid Majority Reward Vote and Weighted Reward Frequency Vote, which combine the strengths of majority vote with PRMs. Extensive experiments on ProcessBench, MATH, and GSMPlus show the effectiveness and efficiency of the proposed PRM data construction framework, and demonstrate that the two output aggregation methods further improve the mathematical reasoning abilities across diverse PRMs. The code and data will be publicly available at https://github.com/Jiuzhouh/UnPRM.

Scientists often infer abstract procedures from specific instances of problems and use the abstractions to generate new, related instances. For example, programs encoding the formal rules and properties of a system have been useful in fields ranging from RL (procedural environments) to physics (simulation engines). These programs can be seen as functions which execute to different outputs based on their parameterizations (e.g., gridworld configuration or initial physical conditions). We introduce the term EFA (Executable Functional Abstraction) to denote such programs for math problems. EFA-like constructs have been shown to be useful for math reasoning as problem generators for stress-testing models. However, prior work has been limited to abstractions for grade-school math (whose simple rules are easy to encode in programs), while generating EFAs for advanced math has thus far required human engineering. We explore the automatic construction of EFAs for advanced math problems. We operationalize the task of automatically constructing EFAs as a program synthesis task, and develop EFAGen, which conditions an LLM on a seed math problem and its step-by-step solution to generate candidate EFA programs that are faithful to the generalized problem and solution class underlying the seed problem. Furthermore, we formalize properties any valid EFA must possess in terms of executable unit tests, and show how the tests can be used as verifiable rewards to train LLMs to become better writers of EFAs. We demonstrate that EFAs constructed by EFAGen behave rationally by remaining faithful to seed problems, produce learnable problem variations, and that EFAGen can infer EFAs across multiple diverse sources of competition-level math problems. Finally, we show downstream uses of model-written EFAs e.g. finding problem variations that are harder or easier for a learner to solve, as well as data generation.

Large language models can generate useful code from natural language, but their outputs come without correctness guarantees. Verifiable code generation offers a path beyond testing by requiring models to produce not only executable code, but also formal specifications and machine-checkable proofs. Progress in this direction, however, is difficult to measure: existing benchmarks are often small, focus on only one part of the pipeline, lack ground-truth proofs or rigorous specification validation, or target verification settings far from mainstream software development. We present VeriContest, a benchmark of 946 competitive-programming problems from LeetCode and Codeforces for verifiable code generation in Rust with Verus. Each problem pairs a natural language description with expert-validated formal specifications, judge-accepted Rust code, Verus-checked proofs, and positive and negative test suites. VeriContest is constructed through a three-phase pipeline that scales from manually verified seed problems to semi-automated expansion with human-in-the-loop review. To further strengthen benchmark quality, we use testing as an additional quality-assurance layer for validating postcondition completeness. VeriContest supports isolated and compositional evaluation of specification generation, code generation, proof generation, and end-to-end verified program synthesis. Evaluating ten state-of-the-art models reveals a sharp gap between coding ability and verifiable code generation: the strongest model reaches 92.18% on natural-language-to-code generation, but only 48.31% on specification generation, 13.95% on proof generation, and 5.29% end-to-end. These results identify proof and specification generation as the central bottlenecks for models and establish VeriContest as a rigorous platform for measuring and training future systems that generate code with machine-checkable correctness.

Current paradigms for code verification rely heavily on external mechanisms-such as execution-based unit tests or auxiliary LLM judges-which are often labor-intensive or limited by the judging model's own capabilities. This raises a fundamental, yet unexplored question: Can an LLM's functional correctness be assessed purely from its internal computational structure? Our primary objective is to investigate whether the model's neural dynamics encode internally decodable signals that are predictive of logical validity during code generation. Inspired by mechanistic interpretability, we propose to treat code verification as a mechanistic diagnostic task, mapping the model's explicit algorithmic trajectory into line-level attribution graphs. By decomposing complex residual flows, we aim to identify the structural signatures that distinguish sound reasoning from logical failure within the model's internal circuits. Analysis across Python, C++, and Java confirms that intrinsic correctness signals are robust across diverse syntaxes. Topological features from these internal graphs predict correctness more reliably than surface heuristics and enable targeted causal interventions to fix erroneous logic. These findings establish internal introspection as a decodable property for verifying generated code. Our code is at https:// github.com/bruno686/CodeCircuit.

Machine learning models are often used to decide who will receive a loan, a job interview, or a public benefit. Standard techniques to build these models use features about people but overlook their actionability. In turn, models can assign predictions that are fixed, meaning that consumers who are denied loans, interviews, or benefits may be permanently locked out from access to credit, employment, or assistance. In this work, we introduce a formal testing procedure to flag models that assign fixed predictions that we call recourse verification. We develop machinery to reliably determine if a given model can provide recourse to its decision subjects from a set of user-specified actionability constraints. We demonstrate how our tools can ensure recourse and adversarial robustness in real-world datasets and use them to study the infeasibility of recourse in real-world lending datasets. Our results highlight how models can inadvertently assign fixed predictions that permanently bar access, and we provide tools to design algorithms that account for actionability when developing models.

The integration of knowledge extracted from diverse models, whether described by domain experts or generated by machine learning algorithms, has historically been challenged by the absence of a suitable framework for specifying and integrating structures, learning processes, data transformations, and data models or rules. In this work, we extend algebraic specification methods to address these challenges within such a framework. In our work, we tackle the challenging task of developing a comprehensive framework for defining and analyzing deep learning architectures. We believe that previous efforts have fallen short by failing to establish a clear connection between the constraints a model must adhere to and its actual implementation. Our methodology employs graphical structures that resemble Ehresmann's sketches, interpreted within a universe of fuzzy sets. This approach offers a unified theory that elegantly encompasses both deterministic and non-deterministic neural network designs. Furthermore, we highlight how this theory naturally incorporates fundamental concepts from computer science and automata theory. Our extended algebraic specification framework, grounded in graphical structures akin to Ehresmann's sketches, offers a promising solution for integrating knowledge across disparate models and domains. By bridging the gap between domain-specific expertise and machine-generated insights, we pave the way for more comprehensive, collaborative, and effective approaches to knowledge integration and modeling.