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Apr 16

Verification Limits Code LLM Training

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.

  • 6 authors
·
Sep 25, 2025

Vulnerability Detection: From Formal Verification to Large Language Models and Hybrid Approaches: A Comprehensive Overview

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.

  • 7 authors
·
Mar 13, 2025

References Improve LLM Alignment in Non-Verifiable Domains

While Reinforcement Learning with Verifiable Rewards (RLVR) has shown strong effectiveness in reasoning tasks, it cannot be directly applied to non-verifiable domains lacking ground-truth verifiers, such as LLM alignment. In this work, we investigate whether reference-guided LLM-evaluators can bridge this gap by serving as soft "verifiers". First, we design evaluation protocols that enhance LLM-based evaluators for LLM alignment using reference outputs. Through comprehensive experiments, we show that a reference-guided approach substantially improves the accuracy of less capable LLM-judges using references from frontier models; stronger LLM-judges can also be enhanced by high-quality (i.e., human-written) references. Building on these improved judges, we demonstrate the utility of high-quality references in alignment tuning, where LLMs guided with references are used as judges to self-improve. We show that reference-guided self-improvement yields clear gains over both direct SFT on reference outputs and self-improvement with reference-free judges, achieving performance comparable to training with ArmoRM, a strong finetuned reward model. Specifically, our method achieves 73.1% and 58.7% on AlpacaEval and Arena-Hard with Llama-3-8B-Instruct, and 70.0% and 74.1% with Qwen2.5-7B, corresponding to average absolute gains of +20.2 / +17.1 points over SFT distillation and +5.3 / +3.6 points over reference-free self-improvement on AlpacaEval / Arena-Hard. These results highlight the potential of using reference-guided LLM-evaluators to enable effective LLM post-training in non-verifiable domains.

yale-nlp Yale NLP Lab
·
Feb 18 2

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

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

  • 6 authors
·
May 17, 2025 2

Verifying the Verifiers: Unveiling Pitfalls and Potentials in Fact Verifiers

Fact verification is essential for ensuring the reliability of LLM applications. In this study, we evaluate 12 pre-trained LLMs and one specialized fact-verifier, including frontier LLMs and open-weight reasoning LLMs, using a collection of examples from 14 fact-checking benchmarks. We share three findings intended to guide future development of more robust fact verifiers. First, we highlight the importance of addressing annotation errors and ambiguity in datasets, demonstrating that approximately 16\% of ambiguous or incorrectly labeled data substantially influences model rankings. Neglecting this issue may result in misleading conclusions during comparative evaluations, and we suggest using a systematic pipeline utilizing LLM-as-a-judge to help identify these issues at scale. Second, we discover that frontier LLMs with few-shot in-context examples, often overlooked in previous works, achieve top-tier performance. We therefore recommend future studies include comparisons with these simple yet highly effective baselines. Lastly, despite their effectiveness, frontier LLMs incur substantial costs, motivating the development of small, fine-tuned fact verifiers. We show that these small models still have room for improvement, particularly on instances that require complex reasoning. Encouragingly, we demonstrate that augmenting training with synthetic multi-hop reasoning data significantly enhances their capabilities in such instances. We release our code, model, and dataset at https://github.com/just1nseo/verifying-the-verifiers

  • 9 authors
·
Jun 16, 2025

Learning on LLM Output Signatures for gray-box LLM Behavior Analysis

Large Language Models (LLMs) have achieved widespread adoption, yet our understanding of their behavior remains limited, particularly in detecting data contamination and hallucinations. While recently proposed probing techniques provide insights through activation analysis, they require "white-box" access to model internals, often unavailable. Current "gray-box" approaches typically analyze only the probability of the actual tokens in the sequence with simple task-specific heuristics. Importantly, these methods overlook the rich information contained in the full token distribution at each processing step. To address these limitations, we propose that gray-box analysis should leverage the complete observable output of LLMs, consisting of both the previously used token probabilities as well as the complete token distribution sequences - a unified data type we term LOS (LLM Output Signature). To this end, we develop a transformer-based approach to process LOS that theoretically guarantees approximation of existing techniques while enabling more nuanced analysis. Our approach achieves superior performance on hallucination and data contamination detection in gray-box settings, significantly outperforming existing baselines. Furthermore, it demonstrates strong transfer capabilities across datasets and LLMs, suggesting that LOS captures fundamental patterns in LLM behavior. Our code is available at: https://github.com/BarSGuy/LLM-Output-Signatures-Network.

  • 8 authors
·
Mar 18, 2025

FVEL: Interactive Formal Verification Environment with Large Language Models via Theorem Proving

Formal verification (FV) has witnessed growing significance with current emerging program synthesis by the evolving large language models (LLMs). However, current formal verification mainly resorts to symbolic verifiers or hand-craft rules, resulting in limitations for extensive and flexible verification. On the other hand, formal languages for automated theorem proving, such as Isabelle, as another line of rigorous verification, are maintained with comprehensive rules and theorems. In this paper, we propose FVEL, an interactive Formal Verification Environment with LLMs. Specifically, FVEL transforms a given code to be verified into Isabelle, and then conducts verification via neural automated theorem proving with an LLM. The joined paradigm leverages the rigorous yet abundant formulated and organized rules in Isabelle and is also convenient for introducing and adjusting cutting-edge LLMs. To achieve this goal, we extract a large-scale FVELER3. The FVELER dataset includes code dependencies and verification processes that are formulated in Isabelle, containing 758 theories, 29,125 lemmas, and 200,646 proof steps in total with in-depth dependencies. We benchmark FVELER in the FVEL environment by first fine-tuning LLMs with FVELER and then evaluating them on Code2Inv and SV-COMP. The results show that FVEL with FVELER fine-tuned Llama3- 8B solves 17.39% (69 -> 81) more problems, and Mistral-7B 12% (75 -> 84) more problems in SV-COMP. And the proportion of proof errors is reduced. Project page: https://fveler.github.io/.

  • 8 authors
·
Jun 20, 2024

VERINA: Benchmarking Verifiable Code Generation

Large language models (LLMs) are increasingly integrated in software development, but ensuring correctness in LLM-generated code remains challenging and often requires costly manual review. Verifiable code generation -- jointly generating code, specifications, and proofs of code-specification alignment -- offers a promising path to address this limitation and further unleash LLMs' benefits in coding. Yet, there exists a significant gap in evaluation: current benchmarks often lack support for end-to-end verifiable code generation. In this paper, we introduce Verina (Verifiable Code Generation Arena), a high-quality benchmark enabling a comprehensive and modular evaluation of code, specification, and proof generation as well as their compositions. Verina consists of 189 manually curated coding tasks in Lean, with detailed problem descriptions, reference implementations, formal specifications, and extensive test suites. Our extensive evaluation of state-of-the-art LLMs reveals significant challenges in verifiable code generation, especially in proof generation, underscoring the need for improving LLM-based theorem provers in verification domains. The best model, OpenAI o4-mini, generates only 61.4% correct code, 51.0% sound and complete specifications, and 3.6% successful proofs, with one trial per task. We hope Verina will catalyze progress in verifiable code generation by providing a rigorous and comprehensive benchmark. We release our dataset on https://huggingface.co/datasets/sunblaze-ucb/verina and our evaluation code on https://github.com/sunblaze-ucb/verina.

  • 6 authors
·
May 29, 2025

VERGE: Formal Refinement and Guidance Engine for Verifiable LLM Reasoning

Despite the syntactic fluency of Large Language Models (LLMs), ensuring their logical correctness in high-stakes domains remains a fundamental challenge. We present a neurosymbolic framework that combines LLMs with SMT solvers to produce verification-guided answers through iterative refinement. Our approach decomposes LLM outputs into atomic claims, autoformalizes them into first-order logic, and verifies their logical consistency using automated theorem proving. We introduce three key innovations: (1) multi-model consensus via formal semantic equivalence checking to ensure logic-level alignment between candidates, eliminating the syntactic bias of surface-form metrics, (2) semantic routing that directs different claim types to appropriate verification strategies: symbolic solvers for logical claims and LLM ensembles for commonsense reasoning, and (3) precise logical error localization via Minimal Correction Subsets (MCS), which pinpoint the exact subset of claims to revise, transforming binary failure signals into actionable feedback. Our framework classifies claims by their logical status and aggregates multiple verification signals into a unified score with variance-based penalty. The system iteratively refines answers using structured feedback until acceptance criteria are met or convergence is achieved. This hybrid approach delivers formal guarantees where possible and consensus verification elsewhere, advancing trustworthy AI. With the GPT-OSS-120B model, VERGE demonstrates an average performance uplift of 18.7% at convergence across a set of reasoning benchmarks compared to single-pass approaches.

APOLLO: Automated LLM and Lean Collaboration for Advanced Formal Reasoning

Formal reasoning and automated theorem proving constitute a challenging subfield of machine learning, in which machines are tasked with proving mathematical theorems using formal languages like Lean. A formal verification system can check whether a formal proof is correct or not almost instantaneously, but generating a completely correct formal proof with large language models (LLMs) remains a formidable task. The usual approach in the literature is to prompt the LLM many times (up to several thousands) until one of the generated proofs passes the verification system. In this work, we present APOLLO (Automated PrOof repair via LLM and Lean cOllaboration), a modular, model-agnostic pipeline that combines the strengths of the Lean compiler with an LLM's reasoning abilities to achieve better proof-generation results at a low sampling budget. Apollo directs a fully automated process in which the LLM generates proofs for theorems, a set of agents analyze the proofs, fix the syntax errors, identify the mistakes in the proofs using Lean, isolate failing sub-lemmas, utilize automated solvers, and invoke an LLM on each remaining goal with a low top-K budget. The repaired sub-proofs are recombined and reverified, iterating up to a user-controlled maximum number of attempts. On the miniF2F benchmark, we establish a new state-of-the-art accuracy of 75.0% among 7B-parameter models while keeping the sampling budget below one thousand. Moreover, Apollo raises the state-of-the-art accuracy for Goedel-Prover-SFT to 65.6% while cutting sample complexity from 25,600 to a few hundred. General-purpose models (o3-mini, o4-mini) jump from 3-7% to over 40% accuracy. Our results demonstrate that targeted, compiler-guided repair of LLM outputs yields dramatic gains in both efficiency and correctness, suggesting a general paradigm for scalable automated theorem proving.

  • 3 authors
·
May 8, 2025

A Fingerprint for Large Language Models

Recent advances show that scaling a pre-trained language model could achieve state-of-the-art performance on many downstream tasks, prompting large language models (LLMs) to become a hot research topic in the field of artificial intelligence. However, due to the resource-intensive nature of training LLMs from scratch, it is urgent and crucial to protect the intellectual property of LLMs against infringement. This has motivated the authors in this paper to propose a novel black-box fingerprinting technique for LLMs, which requires neither model training nor model fine-tuning. We first demonstrate that the outputs of LLMs span a unique vector space associated with each model. We model the problem of ownership authentication as the task of evaluating the similarity between the victim model's space and the output's space of the suspect model. To deal with this problem, we propose two solutions, where the first solution involves verifying whether the outputs of the suspected large model are in the same space as those of the victim model, enabling rapid identification of model infringement, and the second one reconstructs the union of the vector spaces for LLM outputs and the victim model to address situations where the victim model has undergone the Parameter-Efficient Fine-Tuning (PEFT) attacks. Experimental results indicate that the proposed technique achieves superior performance in ownership verification and robustness against PEFT attacks. This work reveals inherent characteristics of LLMs and provides a promising solution for ownership verification of LLMs in black-box scenarios, ensuring efficiency, generality and practicality.

  • 2 authors
·
Jul 1, 2024

Improving LLM Reasoning through Scaling Inference Computation with Collaborative Verification

Despite significant advancements in the general capability of large language models (LLMs), they continue to struggle with consistent and accurate reasoning, especially in complex tasks such as mathematical and code reasoning. One key limitation is that LLMs are trained primarily on correct solutions, reducing their ability to detect and learn from errors, which hampers their ability to reliably verify and rank outputs. To address this, we scale up the inference-time computation by generating multiple reasoning paths and employing verifiers to assess and rank the generated outputs by correctness. To facilitate this, we introduce a comprehensive dataset consisting of correct and incorrect solutions for math and code tasks, generated by multiple LLMs. This diverse set of solutions enables verifiers to more effectively distinguish and rank correct answers from erroneous outputs. The training methods for building verifiers were selected based on an extensive comparison of existing approaches. Moreover, to leverage the unique strengths of different reasoning strategies, we propose a novel collaborative method integrating Chain-of-Thought (CoT) and Program-of-Thought (PoT) solutions for verification. CoT provides a clear, step-by-step reasoning process that enhances interpretability, while PoT, being executable, offers a precise and error-sensitive validation mechanism. By taking both of their strengths, our approach significantly improves the accuracy and reliability of reasoning verification. Our verifiers, Math-Rev and Code-Rev, demonstrate substantial performance gains to existing LLMs, achieving state-of-the-art results on benchmarks such as GSM8k and MATH and even outperforming GPT-4o with Qwen-72B-Instruct as the reasoner.

  • 6 authors
·
Oct 5, 2024

LLM Inference Unveiled: Survey and Roofline Model Insights

The field of efficient Large Language Model (LLM) inference is rapidly evolving, presenting a unique blend of opportunities and challenges. Although the field has expanded and is vibrant, there hasn't been a concise framework that analyzes the various methods of LLM Inference to provide a clear understanding of this domain. Our survey stands out from traditional literature reviews by not only summarizing the current state of research but also by introducing a framework based on roofline model for systematic analysis of LLM inference techniques. This framework identifies the bottlenecks when deploying LLMs on hardware devices and provides a clear understanding of practical problems, such as why LLMs are memory-bound, how much memory and computation they need, and how to choose the right hardware. We systematically collate the latest advancements in efficient LLM inference, covering crucial areas such as model compression (e.g., Knowledge Distillation and Quantization), algorithm improvements (e.g., Early Exit and Mixture-of-Expert), and both hardware and system-level enhancements. Our survey stands out by analyzing these methods with roofline model, helping us understand their impact on memory access and computation. This distinctive approach not only showcases the current research landscape but also delivers valuable insights for practical implementation, positioning our work as an indispensable resource for researchers new to the field as well as for those seeking to deepen their understanding of efficient LLM deployment. The analyze tool, LLM-Viewer, is open-sourced.

  • 14 authors
·
Feb 26, 2024 2

Neural Theorem Proving: Generating and Structuring Proofs for Formal Verification

Formally verifying properties of software code has been a highly desirable task, especially with the emergence of LLM-generated code. In the same vein, they provide an interesting avenue for the exploration of formal verification and mechanistic interpretability. Since the introduction of code-specific models, despite their successes in generating code in Lean4 and Isabelle, the task of generalized theorem proving still remains far from being fully solved and will be a benchmark for reasoning capability in LLMs. In this work, we introduce a framework that generates whole proofs in a formal language to be used within systems that utilize the power of built-in tactics and off-the-shelf automated theorem provers. Our framework includes 3 components: generating natural language statements of the code to be verified, an LLM that generates formal proofs for the given statement, and a module employing heuristics for building the final proof. To train the LLM, we employ a 2-stage fine-tuning process, where we first use SFT-based training to enable the model to generate syntactically correct Isabelle code and then RL-based training that encourages the model to generate proofs verified by a theorem prover. We validate our framework using the miniF2F-test benchmark and the Isabelle proof assistant and design a use case to verify the correctness of the AWS S3 bucket access policy code. We also curate a dataset based on the FVEL\textnormal{ER} dataset for future training tasks.

  • 3 authors
·
Apr 23, 2025

Reasoning with LLMs for Zero-Shot Vulnerability Detection

Automating software vulnerability detection (SVD) remains a critical challenge in an era of increasingly complex and interdependent software systems. Despite significant advances in Large Language Models (LLMs) for code analysis, prevailing evaluation methodologies often lack the context-aware robustness necessary to capture real-world intricacies and cross-component interactions. To address these limitations, we present VulnSage, a comprehensive evaluation framework and a dataset curated from diverse, large-scale open-source system software projects developed in C/C++. Unlike prior datasets, it leverages a heuristic noise pre-filtering approach combined with LLM-based reasoning to ensure a representative and minimally noisy spectrum of vulnerabilities. The framework supports multi-granular analysis across function, file, and inter-function levels and employs four diverse zero-shot prompt strategies: Baseline, Chain-of-Thought, Think, and Think & Verify. Through this evaluation, we uncover that structured reasoning prompts substantially improve LLM performance, with Think & Verify reducing ambiguous responses from 20.3% to 9.1% while increasing accuracy. We further demonstrate that code-specialized models consistently outperform general-purpose alternatives, with performance varying significantly across vulnerability types, revealing that no single approach universally excels across all security contexts. Link to dataset and codes: https://github.com/Erroristotle/VulnSage.git

  • 2 authors
·
Mar 22, 2025

WebTestPilot: Agentic End-to-End Web Testing against Natural Language Specification by Inferring Oracles with Symbolized GUI Elements

Visual language model (VLM) agents show great promise in automating end-to-end (E2E) web testing against requirements in natural language. However, the probabilistic nature of language models can have inherent hallucinations. Therefore, given a detected inconsistency between the requirement and the web application, it is hard to distinguish whether it stems from the hallucination or a real application bug. Addressing this issue presents two core technical challenges: the implicit oracle inference challenge, where the agent must act as its own oracle to implicitly decide if the application's behavior is correct without guidance, and the probabilistic inference challenge, where an LLM's inconsistent reasoning undermines its trustworthiness as an oracle. Existing LLM-based approaches fail to capture such implicit oracles, either by treating any page navigation that doesn't crash as a success, or by checking each state in isolation, thus missing bugs dependent on context from prior steps. We introduce WebTestPilot, an LLM-based agent designed to address these challenges. WebTestPilot uses (1) a symbolization layer which detects and symbolizes critical GUI elements on the web application into symbols (i.e., variables) and (2) translates natural language specification into a sequence of steps, each of which is equipped with inferred pre- and post-conditions over the symbols as an oracle. This oracle captures data, temporal, and causal dependencies, enabling the validation of implicit requirements. To advance research in this area, we build a benchmark of bug-injected web apps for evaluating NL-to-E2E testing. The results show that WebTestPilot achieves a task completion rate of 99%, with 96% precision and 96% recall in bug detection, outperforming the best baseline (+70 precision, +27 recall). The agent generalizes across diverse natural language inputs and model scales.

  • 6 authors
·
Feb 11

Impact of Large Language Models on Generating Software Specifications

Software specifications are essential for ensuring the reliability of software systems. Existing specification extraction approaches, however, suffer from limited generalizability and require manual efforts. The recent emergence of Large Language Models (LLMs), which have been successfully applied to numerous software engineering tasks, offers a promising avenue for automating this process. In this paper, we conduct the first empirical study to evaluate the capabilities of LLMs for generating software specifications from software comments or documentation. We evaluate LLMs' performance with Few Shot Learning (FSL), enabling LLMs to generalize from a small number of examples, as well as different prompt construction strategies, and compare the performance of LLMs with traditional approaches. Additionally, we conduct a comparative diagnosis of the failure cases from both LLMs and traditional methods, identifying their unique strengths and weaknesses. Lastly, we conduct extensive experiments on 15 state of the art LLMs, evaluating their performance and cost effectiveness for generating software specifications. Our results show that with FSL, LLMs outperform traditional methods (by 5.6%), and more sophisticated prompt construction strategies can further enlarge this performance gap (up to 5.1 to 10.0%). Yet, LLMs suffer from their unique challenges, such as ineffective prompts and the lack of domain knowledge, which together account for 53 to 60% of LLM unique failures. The strong performance of open source models (e.g., StarCoder) makes closed source models (e.g., GPT 3 Davinci) less desirable due to size and cost. Our study offers valuable insights for future research to improve specification generation.

  • 7 authors
·
Jun 5, 2023

Veri-R1: Toward Precise and Faithful Claim Verification via Online Reinforcement Learning

Claim verification with large language models (LLMs) has recently attracted growing attention, due to their strong reasoning capabilities and transparent verification processes compared to traditional answer-only judgments. However, existing approaches to online claim verification, which requires iterative evidence retrieval and reasoning, still mainly rely on prompt engineering or pre-designed reasoning workflows, without unified training to improve necessary skills. Therefore, we introduce Veri-R1, an online reinforcement learning (RL) framework that enables an LLM to interact with a search engine and to receive reward signals that explicitly shape its planning, retrieval, and reasoning behaviors. This dynamic interaction of LLM with retrieval systems more accurately reflects real-world verification scenarios and fosters comprehensive verification skills. Empirical results show that Veri-R1 improves joint accuracy by up to 30% and doubles the evidence score, often surpassing its larger-scale model counterparts. Ablation studies further reveal the impact of reward components, and the link between output logits and label accuracy. Our results highlight the effectiveness of online RL for precise and faithful claim verification, providing an important foundation for future research. We release our code to support community progress in LLM empowered claim verification.

  • 6 authors
·
Oct 3, 2025

On the Design and Analysis of LLM-Based Algorithms

We initiate a formal investigation into the design and analysis of LLM-based algorithms, i.e. algorithms that contain one or multiple calls of large language models (LLMs) as sub-routines and critically rely on the capabilities of LLMs. While LLM-based algorithms, ranging from basic LLM calls with prompt engineering to complicated LLM-powered agent systems and compound AI systems, have achieved remarkable empirical success, the design and optimization of them have mostly relied on heuristics and trial-and-errors, which is largely due to a lack of formal and analytical study for these algorithms. To fill this gap, we start by identifying the computational-graph representation of LLM-based algorithms, the design principle of task decomposition, and some key abstractions, which then facilitate our formal analysis for the accuracy and efficiency of LLM-based algorithms, despite the black-box nature of LLMs. Through extensive analytical and empirical investigation in a series of case studies, we demonstrate that the proposed framework is broadly applicable to a wide range of scenarios and diverse patterns of LLM-based algorithms, such as parallel, hierarchical and recursive task decomposition. Our proposed framework holds promise for advancing LLM-based algorithms, by revealing the reasons behind curious empirical phenomena, guiding the choices of hyperparameters, predicting the empirical performance of algorithms, and inspiring new algorithm design. To promote further study of LLM-based algorithms, we release our source code at https://github.com/modelscope/agentscope/tree/main/examples/paper_llm_based_algorithm.

  • 4 authors
·
Jul 20, 2024

Are You Getting What You Pay For? Auditing Model Substitution in LLM APIs

The proliferation of Large Language Models (LLMs) accessed via black-box APIs introduces a significant trust challenge: users pay for services based on advertised model capabilities (e.g., size, performance), but providers may covertly substitute the specified model with a cheaper, lower-quality alternative to reduce operational costs. This lack of transparency undermines fairness, erodes trust, and complicates reliable benchmarking. Detecting such substitutions is difficult due to the black-box nature, typically limiting interaction to input-output queries. This paper formalizes the problem of model substitution detection in LLM APIs. We systematically evaluate existing verification techniques, including output-based statistical tests, benchmark evaluations, and log probability analysis, under various realistic attack scenarios like model quantization, randomized substitution, and benchmark evasion. Our findings reveal the limitations of methods relying solely on text outputs, especially against subtle or adaptive attacks. While log probability analysis offers stronger guarantees when available, its accessibility is often limited. We conclude by discussing the potential of hardware-based solutions like Trusted Execution Environments (TEEs) as a pathway towards provable model integrity, highlighting the trade-offs between security, performance, and provider adoption. Code is available at https://github.com/sunblaze-ucb/llm-api-audit

  • 4 authors
·
Apr 6, 2025 2

New Solutions on LLM Acceleration, Optimization, and Application

Large Language Models (LLMs) have become extremely potent instruments with exceptional capacities for comprehending and producing human-like text in a wide range of applications. However, the increasing size and complexity of LLMs present significant challenges in both training and deployment, leading to substantial computational and storage costs as well as heightened energy consumption. In this paper, we provide a review of recent advancements and research directions aimed at addressing these challenges and enhancing the efficiency of LLM-based systems. We begin by discussing algorithm-level acceleration techniques focused on optimizing LLM inference speed and resource utilization. We also explore LLM-hardware co-design strategies with a vision to improve system efficiency by tailoring hardware architectures to LLM requirements. Further, we delve into LLM-to-accelerator compilation approaches, which involve customizing hardware accelerators for efficient LLM deployment. Finally, as a case study to leverage LLMs for assisting circuit design, we examine LLM-aided design methodologies for an important task: High-Level Synthesis (HLS) functional verification, by creating a new dataset that contains a large number of buggy and bug-free codes, which can be essential for training LLMs to specialize on HLS verification and debugging. For each aspect mentioned above, we begin with a detailed background study, followed by the presentation of several novel solutions proposed to overcome specific challenges. We then outline future research directions to drive further advancements. Through these efforts, we aim to pave the way for more efficient and scalable deployment of LLMs across a diverse range of applications.

  • 8 authors
·
Jun 16, 2024

Towards Automated Formal Verification of Backend Systems with LLMs

Software testing plays a critical role in ensuring that systems behave as intended. However, existing automated testing approaches struggle to match the capabilities of human engineers due to key limitations such as test locality, lack of general reliability, and business logic blindness. In this work, we propose a novel framework that leverages functional programming and type systems to translate Scala backend code into formal Lean representations. Our pipeline automatically generates theorems that specify the intended behavior of APIs and database operations, and uses LLM-based provers to verify them. When a theorem is proved, the corresponding logic is guaranteed to be correct and no further testing is needed. If the negation of a theorem is proved instead, it confirms a bug. In cases where neither can be proved, human intervention is required. We evaluate our method on realistic backend systems and find that it can formally verify over 50% of the test requirements, which suggests that half of a testing engineer's workload can be automated. Additionally, with an average cost of only $2.19 per API, LLM-based verification is significantly more cost-effective than manual testing and can be scaled easily through parallel execution. Our results indicate a promising direction for scalable, AI-powered software testing, with the potential to greatly improve engineering productivity as models continue to advance.

  • 4 authors
·
Apr 13, 2025

Planning-Driven Programming: A Large Language Model Programming Workflow

The strong performance of large language models (LLMs) on natural language processing tasks raises extensive discussion on their application to code generation. Recent work suggests multiple sampling approaches to improve initial code generation accuracy or program repair approaches to refine the code. However, these methods suffer from LLMs' inefficiencies and limited reasoning capacity. In this work, we propose an LLM programming workflow (LPW) designed to improve both initial code generation and subsequent refinements within a structured two-phase workflow. Specifically, in the solution generation phase, the LLM first outlines a solution plan that decomposes the problem into manageable sub-problems and then verifies the generated solution plan through visible test cases. Subsequently, in the code implementation phase, the LLM initially drafts a code according to the solution plan and its verification. If the generated code fails the visible tests, the plan verification serves as the intended natural language solution to inform the refinement process for correcting bugs. We further introduce SLPW, a sampling variant of LPW, which initially generates multiple solution plans and plan verifications, produces a program for each plan and its verification, and refines each program as necessary until one successfully passes the visible tests. Compared to the state-of-the-art methods across various existing LLMs, our experimental results show that LPW significantly improves the Pass@1 accuracy by up to 16.4% on well-established text-to-code generation benchmarks, especially with a notable improvement of around 10% on challenging benchmarks. Additionally, SLPW demonstrates up to a 5.6% improvement over LPW and sets new state-of-the-art Pass@1 accuracy on various benchmarks, e.g., 98.2% on HumanEval, 84.8% on MBPP, 64.0% on APPS, and 35.3% on CodeContest, using GPT-4o as the backbone.

  • 4 authors
·
Nov 21, 2024

TheoremLlama: Transforming General-Purpose LLMs into Lean4 Experts

Proving mathematical theorems using computer-verifiable formal languages like Lean significantly impacts mathematical reasoning. One approach to formal theorem proving involves generating complete proofs using Large Language Models (LLMs) based on Natural Language (NL) proofs. Similar methods have shown promising results in code generation. However, most modern LLMs exhibit suboptimal performance due to the scarcity of aligned NL and Formal Language (FL) theorem-proving data. This scarcity results in a paucity of methodologies for training LLMs and techniques to fully utilize their capabilities in composing formal proofs. To address the challenges, this paper proposes **TheoremLlama**, an end-to-end framework to train a general-purpose LLM to become a Lean4 expert. This framework encompasses NL-FL aligned dataset generation methods, training approaches for the LLM formal theorem prover, and techniques for LLM Lean4 proof writing. Using the dataset generation method, we provide *Open Bootstrapped Theorems* (OBT), an NL-FL aligned and bootstrapped dataset. A key innovation in this framework is the NL-FL bootstrapping method, where NL proofs are integrated into Lean4 code for training datasets, leveraging the NL reasoning ability of LLMs for formal reasoning. The **TheoremLlama** framework achieves cumulative accuracies of 36.48% and 33.61% on MiniF2F-Valid and Test datasets respectively, surpassing the GPT-4 baseline of 22.95% and 25.41%. We have also open-sourced our model checkpoints and generated dataset, and will soon make all the code publicly available.

  • 7 authors
·
Jul 3, 2024 1

AutoBaxBuilder: Bootstrapping Code Security Benchmarking

As LLMs see wide adoption in software engineering, the reliable assessment of the correctness and security of LLM-generated code is crucial. Notably, prior work has demonstrated that security is often overlooked, exposing that LLMs are prone to generating code with security vulnerabilities. These insights were enabled by specialized benchmarks, crafted through significant manual effort by security experts. However, relying on manually-crafted benchmarks is insufficient in the long term, because benchmarks (i) naturally end up contaminating training data, (ii) must extend to new tasks to provide a more complete picture, and (iii) must increase in difficulty to challenge more capable LLMs. In this work, we address these challenges and present AutoBaxBuilder, a framework that generates tasks and tests for code security benchmarking from scratch. We introduce a robust pipeline with fine-grained plausibility checks, leveraging the code understanding capabilities of LLMs to construct functionality tests and end-to-end security-probing exploits. To confirm the quality of the generated benchmark, we conduct both a qualitative analysis and perform quantitative experiments, comparing it against tasks constructed by human experts. We use AutoBaxBuilder to construct entirely new tasks and release them to the public as AutoBaxBench, together with a thorough evaluation of the security capabilities of LLMs on these tasks. We find that a new task can be generated in under 2 hours, costing less than USD 10.

  • 5 authors
·
Dec 24, 2025

Hiding Text in Large Language Models: Introducing Unconditional Token Forcing Confusion

With the help of simple fine-tuning, one can artificially embed hidden text into large language models (LLMs). This text is revealed only when triggered by a specific query to the LLM. Two primary applications are LLM fingerprinting and steganography. In the context of LLM fingerprinting, a unique text identifier (fingerprint) is embedded within the model to verify licensing compliance. In the context of steganography, the LLM serves as a carrier for hidden messages that can be disclosed through a designated trigger. Our work demonstrates that embedding hidden text in the LLM via fine-tuning, though seemingly secure due to the vast number of potential triggers (any sequence of characters or tokens could serve as a trigger), is susceptible to extraction through analysis of the LLM's output decoding process. We propose a novel approach to extraction called Unconditional Token Forcing. It is premised on the hypothesis that iteratively feeding each token from the LLM's vocabulary into the model should reveal sequences with abnormally high token probabilities, indicating potential embedded text candidates. Additionally, our experiments show that when the first token of a hidden fingerprint is used as an input, the LLM not only produces an output sequence with high token probabilities, but also repetitively generates the fingerprint itself. We also present a method to hide text in such a way that it is resistant to Unconditional Token Forcing, which we named Unconditional Token Forcing Confusion.

  • 5 authors
·
Jun 4, 2024

Heimdall: test-time scaling on the generative verification

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

  • 2 authors
·
Apr 14, 2025 2

LLM-FuncMapper: Function Identification for Interpreting Complex Clauses in Building Codes via LLM

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.

  • 5 authors
·
Aug 16, 2023

VerifyBench: A Systematic Benchmark for Evaluating Reasoning Verifiers Across Domains

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.

  • 5 authors
·
Jul 13, 2025

LLMAuditor: A Framework for Auditing Large Language Models Using Human-in-the-Loop

As Large Language Models (LLMs) become more pervasive across various users and scenarios, identifying potential issues when using these models becomes essential. Examples of such issues include: bias, inconsistencies, and hallucination. Although auditing the LLM for these problems is often warranted, such a process is neither easy nor accessible for most. An effective method is to probe the LLM using different versions of the same question. This could expose inconsistencies in its knowledge or operation, indicating potential for bias or hallucination. However, to operationalize this auditing method at scale, we need an approach to create those probes reliably and automatically. In this paper we propose the LLMAuditor framework which is an automatic, and scalable solution, where one uses a different LLM along with human-in-the-loop (HIL). This approach offers verifiability and transparency, while avoiding circular reliance on the same LLM, and increasing scientific rigor and generalizability. Specifically, LLMAuditor includes two phases of verification using humans: standardized evaluation criteria to verify responses, and a structured prompt template to generate desired probes. A case study using questions from the TruthfulQA dataset demonstrates that we can generate a reliable set of probes from one LLM that can be used to audit inconsistencies in a different LLM. This process is enhanced by our structured prompt template with HIL, which not only boosts the reliability of our approach in auditing but also yields the delivery of less hallucinated results. The novelty of our research stems from the development of a comprehensive, general-purpose framework that includes a HIL verified prompt template for auditing responses generated by LLMs.

  • 7 authors
·
Feb 14, 2024

DiFR: Inference Verification Despite Nondeterminism

As demand for LLM inference grows, it is becoming increasingly important that providers and their customers can verify that inference processes are performed correctly, without errors or tampering. However, re-running the same inference process twice often leads to different results due to benign numerical noise, making it difficult to distinguish legitimate variation from actual problems. To address this problem, we introduce Token-DiFR (Token-Divergence-From-Reference), a method for verifying inference outputs by comparing generated tokens against predictions made by a trusted reference implementation conditioned on the same random seed. Sampling seed synchronization tightly constrains valid outputs, leaving providers minimal room to deviate from correct inference, which allows output tokens themselves to serve as auditable evidence of correctness at zero additional cost to the provider. Token-DiFR reliably identifies sampling errors, simulated bugs, and model quantization, detecting 4-bit quantization with AUC > 0.999 within 300 output tokens. For applications requiring sample-efficient forward-pass verification, we additionally introduce Activation-DiFR, a scheme that uses random orthogonal projections to compress activations into compact fingerprints for subsequent verification. Activation-DiFR detects 4-bit quantization with AUC > 0.999 using just 2 output tokens, while reducing communication overhead by 25-75% relative to existing methods. We release an open-source integration with vLLM to accelerate practical deployment of verifiable inference.

  • 6 authors
·
Nov 25, 2025

CryptoAnalystBench: Failures in Multi-Tool Long-Form LLM Analysis

Modern analyst agents must reason over complex, high token inputs, including dozens of retrieved documents, tool outputs, and time sensitive data. While prior work has produced tool calling benchmarks and examined factuality in knowledge augmented systems, relatively little work studies their intersection: settings where LLMs must integrate large volumes of dynamic, structured and unstructured multi tool outputs. We investigate LLM failure modes in this regime using crypto as a representative high data density domain. We introduce (1) CryptoAnalystBench, an analyst aligned benchmark of 198 production crypto and DeFi queries spanning 11 categories; (2) an agentic harness equipped with relevant crypto and DeFi tools to generate responses across multiple frontier LLMs; and (3) an evaluation pipeline with citation verification and an LLM as a judge rubric spanning four user defined success dimensions: relevance, temporal relevance, depth, and data consistency. Using human annotation, we develop a taxonomy of seven higher order error types that are not reliably captured by factuality checks or LLM based quality scoring. We find that these failures persist even in state of the art systems and can compromise high stakes decisions. Based on this taxonomy, we refine the judge rubric to better capture these errors. While the judge does not align with human annotators on precise scoring across rubric iterations, it reliably identifies critical failure modes, enabling scalable feedback for developers and researchers studying analyst style agents. We release CryptoAnalystBench with annotated queries, the evaluation pipeline, judge rubrics, and the error taxonomy, and outline mitigation strategies and open challenges in evaluating long form, multi tool augmented systems.

  • 5 authors
·
Feb 10

FlashDecoding++: Faster Large Language Model Inference on GPUs

As the Large Language Model (LLM) becomes increasingly important in various domains. However, the following challenges still remain unsolved in accelerating LLM inference: (1) Synchronized partial softmax update. The softmax operation requires a synchronized update operation among each partial softmax result, leading to ~20% overheads for the attention computation in LLMs. (2) Under-utilized computation of flat GEMM. The shape of matrices performing GEMM in LLM inference is flat, leading to under-utilized computation and >50% performance loss after padding zeros in previous designs. (3) Performance loss due to static dataflow. Kernel performance in LLM depends on varied input data features, hardware configurations, etc. A single and static dataflow may lead to a 50.25% performance loss for GEMMs of different shapes in LLM inference. We present FlashDecoding++, a fast LLM inference engine supporting mainstream LLMs and hardware back-ends. To tackle the above challenges, FlashDecoding++ creatively proposes: (1) Asynchronized softmax with unified max value. FlashDecoding++ introduces a unified max value technique for different partial softmax computations to avoid synchronization. (2) Flat GEMM optimization with double buffering. FlashDecoding++ points out that flat GEMMs with different shapes face varied bottlenecks. Then, techniques like double buffering are introduced. (3) Heuristic dataflow with hardware resource adaptation. FlashDecoding++ heuristically optimizes dataflow using different hardware resource considering input dynamics. Due to the versatility of optimizations in FlashDecoding++, FlashDecoding++ can achieve up to 4.86x and 2.18x speedup on both NVIDIA and AMD GPUs compared to Hugging Face implementations. FlashDecoding++ also achieves an average speedup of 1.37x compared to state-of-the-art LLM inference engines on mainstream LLMs.

  • 9 authors
·
Nov 2, 2023 3

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

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

  • 11 authors
·
Nov 8, 2025 2

Variation in Verification: Understanding Verification Dynamics in Large Language Models

Recent advances have shown that scaling test-time computation enables large language models (LLMs) to solve increasingly complex problems across diverse domains. One effective paradigm for test-time scaling (TTS) involves LLM generators producing multiple solution candidates, with LLM verifiers assessing the correctness of these candidates without reference answers. In this paper, we study generative verifiers, which perform verification by generating chain-of-thought (CoT) reasoning followed by a binary verdict. We systematically analyze verification dynamics across three dimensions - problem difficulty, generator capability, and verifier generation capability - with empirical studies on 12 benchmarks across mathematical reasoning, knowledge, and natural language reasoning tasks using 14 open-source models (2B to 72B parameter range) and GPT-4o. Our experiments reveal three key findings about verification effectiveness: (1) Easy problems allow verifiers to more reliably certify correct responses; (2) Weak generators produce errors that are easier to detect than strong generators; (3) Verification ability is generally correlated with the verifier's own problem-solving capability, but this relationship varies with problem difficulty. These findings reveal opportunities to optimize basic verification strategies in TTS applications. First, given the same verifier, some weak generators can nearly match stronger ones in post-verification TTS performance (e.g., the Gemma2-9B to Gemma2-27B performance gap shrinks by 75.5%). Second, we identify cases where strong verifiers offer limited advantage over weak ones, as both fail to provide meaningful verification gains, suggesting that verifier scaling alone cannot overcome fundamental verification challenges.

  • 6 authors
·
Sep 22, 2025

ReLoop: Structured Modeling and Behavioral Verification for Reliable LLM-Based Optimization

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.

  • 5 authors
·
Feb 17

GoEX: Perspectives and Designs Towards a Runtime for Autonomous LLM Applications

Large Language Models (LLMs) are evolving beyond their classical role of providing information within dialogue systems to actively engaging with tools and performing actions on real-world applications and services. Today, humans verify the correctness and appropriateness of the LLM-generated outputs (e.g., code, functions, or actions) before putting them into real-world execution. This poses significant challenges as code comprehension is well known to be notoriously difficult. In this paper, we study how humans can efficiently collaborate with, delegate to, and supervise autonomous LLMs in the future. We argue that in many cases, "post-facto validation" - verifying the correctness of a proposed action after seeing the output - is much easier than the aforementioned "pre-facto validation" setting. The core concept behind enabling a post-facto validation system is the integration of an intuitive undo feature, and establishing a damage confinement for the LLM-generated actions as effective strategies to mitigate the associated risks. Using this, a human can now either revert the effect of an LLM-generated output or be confident that the potential risk is bounded. We believe this is critical to unlock the potential for LLM agents to interact with applications and services with limited (post-facto) human involvement. We describe the design and implementation of our open-source runtime for executing LLM actions, Gorilla Execution Engine (GoEX), and present open research questions towards realizing the goal of LLMs and applications interacting with each other with minimal human supervision. We release GoEX at https://github.com/ShishirPatil/gorilla/.

  • 10 authors
·
Apr 10, 2024

ToolGate: Contract-Grounded and Verified Tool Execution for LLMs

Large Language Models (LLMs) augmented with external tools have demonstrated remarkable capabilities in complex reasoning tasks. However, existing frameworks rely heavily on natural language reasoning to determine when tools can be invoked and whether their results should be committed, lacking formal guarantees for logical safety and verifiability. We present ToolGate, a forward execution framework that provides logical safety guarantees and verifiable state evolution for LLM tool calling. ToolGate maintains an explicit symbolic state space as a typed key-value mapping representing trusted world information throughout the reasoning process. Each tool is formalized as a Hoare-style contract consisting of a precondition and a postcondition, where the precondition gates tool invocation by checking whether the current state satisfies the required conditions, and the postcondition determines whether the tool's result can be committed to update the state through runtime verification. Our approach guarantees that the symbolic state evolves only through verified tool executions, preventing invalid or hallucinated results from corrupting the world representation. Experimental validation demonstrates that ToolGate significantly improves the reliability and verifiability of tool-augmented LLM systems while maintaining competitive performance on complex multi-step reasoning tasks. This work establishes a foundation for building more trustworthy and debuggable AI systems that integrate language models with external tools.

  • 8 authors
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Jan 8

AutoDetect: Towards a Unified Framework for Automated Weakness Detection in Large Language Models

Although Large Language Models (LLMs) are becoming increasingly powerful, they still exhibit significant but subtle weaknesses, such as mistakes in instruction-following or coding tasks. As these unexpected errors could lead to severe consequences in practical deployments, it is crucial to investigate the limitations within LLMs systematically. Traditional benchmarking approaches cannot thoroughly pinpoint specific model deficiencies, while manual inspections are costly and not scalable. In this paper, we introduce a unified framework, AutoDetect, to automatically expose weaknesses in LLMs across various tasks. Inspired by the educational assessment process that measures students' learning outcomes, AutoDetect consists of three LLM-powered agents: Examiner, Questioner, and Assessor. The collaboration among these three agents is designed to realize comprehensive and in-depth weakness identification. Our framework demonstrates significant success in uncovering flaws, with an identification success rate exceeding 30% in prominent models such as ChatGPT and Claude. More importantly, these identified weaknesses can guide specific model improvements, proving more effective than untargeted data augmentation methods like Self-Instruct. Our approach has led to substantial enhancements in popular LLMs, including the Llama series and Mistral-7b, boosting their performance by over 10% across several benchmarks. Code and data are publicly available at https://github.com/thu-coai/AutoDetect.

  • 9 authors
·
Jun 24, 2024 2

LLM-based Vulnerability Detection at Project Scale: An Empirical Study

In this paper, we present the first comprehensive empirical study of specialized LLM-based detectors and compare them with traditional static analyzers at the project scale. Specifically, our study evaluates five latest and representative LLM-based methods and two traditional tools using: 1) an in-house benchmark of 222 known real-world vulnerabilities (C/C++ and Java) to assess detection capability, and 2) 24 active open-source projects, where we manually inspected 385 warnings to assess their practical usability and underlying root causes of failures. Our evaluation yields three key findings: First, while LLM-based detectors exhibit low recall on the in-house benchmark, they still uncover more unique vulnerabilities than traditional tools. Second, in open-source projects, both LLM-based and traditional tools generate substantial warnings but suffer from very high false discovery rates, hindering practical use. Our manual analysis further reveals shallow interprocedural reasoning and misidentified source/sink pairs as primary failure causes, with LLM-based tools exhibiting additional unique failures. Finally, LLM-based methods incurs substantial computational costs-hundreds of thousands to hundreds of millions of tokens and multi-hour to multi-day runtimes. Overall, our findings underscore critical limitations in the robustness, reliability, and scalability of current LLM-based detectors. We ultimately summarize a set of implications for future research toward more effective and practical project-scale vulnerability detection.

  • 4 authors
·
Jan 26

Goedel-Code-Prover: Hierarchical Proof Search for Open State-of-the-Art Code Verification

Large language models (LLMs) can generate plausible code but offer limited guarantees of correctness. Formally verifying that implementations satisfy specifications requires constructing machine-checkable proofs, a task that remains beyond current automation. We propose a hierarchical proof search framework for automated code verification in Lean~4 that decomposes complex verification goals into structurally simpler subgoals before attempting tactic-level proving. Central to our approach is a principled decomposition score that combines constructive justification with structural effectiveness. Crucially, this score serves as both the training reward and the inference-time ranking criterion, ensuring strict alignment between optimization and deployment. We train Goedel-Code-Prover-8B, a single unified policy for both decomposition and completion, via supervised initialization followed by hybrid reinforcement learning, where a continuous decomposition reward drives planning exploration while supervised replay stabilizes proof generation. On three Lean-based code verification benchmarks comprising 427 tasks, our 8B-parameter model achieves a 62.0\% prove success rate, a 2.6times improvement over the strongest baseline, surpassing neural provers up to 84times larger. We further observe consistent inference-time scaling: success rates improve monotonically with search iterations and sampling budget, with our trained model achieving greater efficiency than frontier off-the-shelf models of comparable scale.

  • 11 authors
·
Mar 18

A New Era in Software Security: Towards Self-Healing Software via Large Language Models and Formal Verification

In this paper we present a novel solution that combines the capabilities of Large Language Models (LLMs) with Formal Verification strategies to verify and automatically repair software vulnerabilities. Initially, we employ Bounded Model Checking (BMC) to locate the software vulnerability and derive a counterexample. The counterexample provides evidence that the system behaves incorrectly or contains a vulnerability. The counterexample that has been detected, along with the source code, are provided to the LLM engine. Our approach involves establishing a specialized prompt language for conducting code debugging and generation to understand the vulnerability's root cause and repair the code. Finally, we use BMC to verify the corrected version of the code generated by the LLM. As a proof of concept, we create ESBMC-AI based on the Efficient SMT-based Context-Bounded Model Checker (ESBMC) and a pre-trained Transformer model, specifically gpt-3.5-turbo, to detect and fix errors in C programs. Our experimentation involved generating a dataset comprising 1000 C code samples, each consisting of 20 to 50 lines of code. Notably, our proposed method achieved an impressive success rate of up to 80% in repairing vulnerable code encompassing buffer overflow and pointer dereference failures. We assert that this automated approach can effectively incorporate into the software development lifecycle's continuous integration and deployment (CI/CD) process.

  • 6 authors
·
May 24, 2023

LiCoEval: Evaluating LLMs on License Compliance in Code Generation

Recent advances in Large Language Models (LLMs) have revolutionized code generation, leading to widespread adoption of AI coding tools by developers. However, LLMs can generate license-protected code without providing the necessary license information, leading to potential intellectual property violations during software production. This paper addresses the critical, yet underexplored, issue of license compliance in LLM-generated code by establishing a benchmark to evaluate the ability of LLMs to provide accurate license information for their generated code. To establish this benchmark, we conduct an empirical study to identify a reasonable standard for "striking similarity" that excludes the possibility of independent creation, indicating a copy relationship between the LLM output and certain open-source code. Based on this standard, we propose LiCoEval, to evaluate the license compliance capabilities of LLMs, i.e., the ability to provide accurate license or copyright information when they generate code with striking similarity to already existing copyrighted code. Using LiCoEval, we evaluate 14 popular LLMs, finding that even top-performing LLMs produce a non-negligible proportion (0.88% to 2.01%) of code strikingly similar to existing open-source implementations. Notably, most LLMs fail to provide accurate license information, particularly for code under copyleft licenses. These findings underscore the urgent need to enhance LLM compliance capabilities in code generation tasks. Our study provides a foundation for future research and development to improve license compliance in AI-assisted software development, contributing to both the protection of open-source software copyrights and the mitigation of legal risks for LLM users.

  • 4 authors
·
Aug 5, 2024

Failure Modes in LLM Systems: A System-Level Taxonomy for Reliable AI Applications

Large language models (LLMs) are being rapidly integrated into decision-support tools, automation workflows, and AI-enabled software systems. However, their behavior in production environments remains poorly understood, and their failure patterns differ fundamentally from those of traditional machine learning models. This paper presents a system-level taxonomy of fifteen hidden failure modes that arise in real-world LLM applications, including multi-step reasoning drift, latent inconsistency, context-boundary degradation, incorrect tool invocation, version drift, and cost-driven performance collapse. Using this taxonomy, we analyze the growing gap in evaluation and monitoring practices: existing benchmarks measure knowledge or reasoning but provide little insight into stability, reproducibility, drift, or workflow integration. We further examine the production challenges associated with deploying LLMs - including observability limitations, cost constraints, and update-induced regressions - and outline high-level design principles for building reliable, maintainable, and cost-aware LLM systems. Finally, we outline high-level design principles for building reliable, maintainable, and cost-aware LLM-based systems. By framing LLM reliability as a system-engineering problem rather than a purely model-centric one, this work provides an analytical foundation for future research on evaluation methodology, AI system robustness, and dependable LLM deployment.

  • 1 authors
·
Nov 25, 2025

Zero-Shot Detection of LLM-Generated Code via Approximated Task Conditioning

Detecting Large Language Model (LLM)-generated code is a growing challenge with implications for security, intellectual property, and academic integrity. We investigate the role of conditional probability distributions in improving zero-shot LLM-generated code detection, when considering both the code and the corresponding task prompt that generated it. Our key insight is that when evaluating the probability distribution of code tokens using an LLM, there is little difference between LLM-generated and human-written code. However, conditioning on the task reveals notable differences. This contrasts with natural language text, where differences exist even in the unconditional distributions. Leveraging this, we propose a novel zero-shot detection approach that approximates the original task used to generate a given code snippet and then evaluates token-level entropy under the approximated task conditioning (ATC). We further provide a mathematical intuition, contextualizing our method relative to previous approaches. ATC requires neither access to the generator LLM nor the original task prompts, making it practical for real-world applications. To the best of our knowledge, it achieves state-of-the-art results across benchmarks and generalizes across programming languages, including Python, CPP, and Java. Our findings highlight the importance of task-level conditioning for LLM-generated code detection. The supplementary materials and code are available at https://github.com/maorash/ATC, including the dataset gathering implementation, to foster further research in this area.

  • 4 authors
·
Jun 6, 2025

Benchmarking Large Language Models for Multi-Language Software Vulnerability Detection

Recent advancements in generative AI have led to the widespread adoption of large language models (LLMs) in software engineering, addressing numerous long-standing challenges. However, a comprehensive study examining the capabilities of LLMs in software vulnerability detection (SVD), a crucial aspect of software security, is currently lacking. Existing research primarily focuses on evaluating LLMs using C/C++ datasets. It typically explores only one or two strategies among prompt engineering, instruction tuning, and sequence classification fine-tuning for open-source LLMs. Consequently, there is a significant knowledge gap regarding the effectiveness of diverse LLMs in detecting vulnerabilities across various programming languages. To address this knowledge gap, we present a comprehensive empirical study evaluating the performance of LLMs on the SVD task. We have compiled a comprehensive dataset comprising 8,260 vulnerable functions in Python, 7,505 in Java, and 28,983 in JavaScript. We assess five open-source LLMs using multiple approaches, including prompt engineering, instruction tuning, and sequence classification fine-tuning. These LLMs are benchmarked against five fine-tuned small language models and two open-source static application security testing tools. Furthermore, we explore two avenues to improve LLM performance on SVD: a) Data perspective: Retraining models using downsampled balanced datasets. b) Model perspective: Investigating ensemble learning methods that combine predictions from multiple LLMs. Our comprehensive experiments demonstrate that SVD remains a challenging task for LLMs. This study provides a thorough understanding of the role of LLMs in SVD and offers practical insights for future advancements in leveraging generative AI to enhance software security practices.

  • 11 authors
·
Mar 3, 2025 2

LLMCad: Fast and Scalable On-device Large Language Model Inference

Generative tasks, such as text generation and question answering, hold a crucial position in the realm of mobile applications. Due to their sensitivity to privacy concerns, there is a growing demand for their execution directly on mobile devices. Currently, the execution of these generative tasks heavily depends on Large Language Models (LLMs). Nevertheless, the limited memory capacity of these devices presents a formidable challenge to the scalability of such models. In our research, we introduce LLMCad, an innovative on-device inference engine specifically designed for efficient generative Natural Language Processing (NLP) tasks. The core idea behind LLMCad revolves around model collaboration: a compact LLM, residing in memory, takes charge of generating the most straightforward tokens, while a high-precision LLM steps in to validate these tokens and rectify any identified errors. LLMCad incorporates three novel techniques: (1) Instead of generating candidate tokens in a sequential manner, LLMCad employs the smaller LLM to construct a token tree, encompassing a wider range of plausible token pathways. Subsequently, the larger LLM can efficiently validate all of these pathways simultaneously. (2) It employs a self-adjusting fallback strategy, swiftly initiating the verification process whenever the smaller LLM generates an erroneous token. (3) To ensure a continuous flow of token generation, LLMCad speculatively generates tokens during the verification process by implementing a compute-IO pipeline. Through an extensive series of experiments, LLMCad showcases an impressive token generation speed, achieving rates up to 9.3x faster than existing inference engines.

  • 7 authors
·
Sep 8, 2023

Enhancing Reasoning Capabilities of Large Language Models: A Graph-Based Verification Approach

Large Language Models (LLMs) have showcased impressive reasoning capabilities, particularly when guided by specifically designed prompts in complex reasoning tasks such as math word problems. These models typically solve tasks using a chain-of-thought approach, which not only bolsters their reasoning abilities but also provides valuable insights into their problem-solving process. However, there is still significant room for enhancing the reasoning abilities of LLMs. Some studies suggest that the integration of an LLM output verifier can boost reasoning accuracy without necessitating additional model training. In this paper, we follow these studies and introduce a novel graph-based method to further augment the reasoning capabilities of LLMs. We posit that multiple solutions to a reasoning task, generated by an LLM, can be represented as a reasoning graph due to the logical connections between intermediate steps from different reasoning paths. Therefore, we propose the Reasoning Graph Verifier (RGV) to analyze and verify the solutions generated by LLMs. By evaluating these graphs, models can yield more accurate and reliable results.Our experimental results show that our graph-based verification method not only significantly enhances the reasoning abilities of LLMs but also outperforms existing verifier methods in terms of improving these models' reasoning performance.

  • 1 authors
·
Aug 17, 2023

GRPO with State Mutations: Improving LLM-Based Hardware Test Plan Generation

RTL design often relies heavily on ad-hoc testbench creation early in the design cycle. While large language models (LLMs) show promise for RTL code generation, their ability to reason about hardware specifications and generate targeted test plans remains largely unexplored. We present the first systematic study of LLM reasoning capabilities for RTL verification stimuli generation, establishing a two-stage framework that decomposes test plan generation from testbench execution. Our benchmark reveals that state-of-the-art models, including DeepSeek-R1 and Claude-4.0-Sonnet, achieve only 15.7-21.7% success rates on generating stimuli that pass golden RTL designs. To improve LLM generated stimuli, we develop a comprehensive training methodology combining supervised fine-tuning with a novel reinforcement learning approach, GRPO with State Mutation (GRPO-SMu), which enhances exploration by varying input mutations. Our approach leverages a tree-based branching mutation strategy to construct training data comprising equivalent and mutated trees, moving beyond linear mutation approaches to provide rich learning signals. Training on this curated dataset, our 7B parameter model achieves a 33.3% golden test pass rate and a 13.9% mutation detection rate, representing a 17.6% absolute improvement over baseline and outperforming much larger general-purpose models. These results demonstrate that specialized training methodologies can significantly enhance LLM reasoning capabilities for hardware verification tasks, establishing a foundation for automated sub-unit testing in semiconductor design workflows.

  • 7 authors
·
Jan 12

MermaidSeqBench: An Evaluation Benchmark for LLM-to-Mermaid Sequence Diagram Generation

Large language models (LLMs) have demonstrated excellent capabilities in generating structured diagrams from natural language descriptions. In particular, they have shown great promise in generating sequence diagrams for software engineering, typically represented in a text-based syntax such as Mermaid. However, systematic evaluations in this space remain underdeveloped as there is a lack of existing benchmarks to assess the LLM's correctness in this task. To address this shortcoming, we introduce MermaidSeqBench, a human-verified and LLM-synthetically-extended benchmark for assessing an LLM's capabilities in generating Mermaid sequence diagrams from textual prompts. The benchmark consists of a core set of 132 samples, starting from a small set of manually crafted and verified flows. These were expanded via a hybrid methodology combining human annotation, in-context LLM prompting, and rule-based variation generation. Our benchmark uses an LLM-as-a-judge model to assess Mermaid sequence diagram generation across fine-grained metrics, including syntax correctness, activation handling, error handling, and practical usability. We perform initial evaluations on numerous state-of-the-art LLMs and utilize multiple LLM judge models to demonstrate the effectiveness and flexibility of our benchmark. Our results reveal significant capability gaps across models and evaluation modes. Our proposed benchmark provides a foundation for advancing research in structured diagram generation and for developing more rigorous, fine-grained evaluation methodologies.

  • 3 authors
·
Nov 18, 2025

FLARE: Faithful Logic-Aided Reasoning and Exploration

Modern Question Answering (QA) and Reasoning approaches based on Large Language Models (LLMs) commonly use prompting techniques, such as Chain-of-Thought (CoT), assuming the resulting generation will have a more granular exploration and reasoning over the question space and scope. However, such methods struggle with generating outputs that are faithful to the intermediate chain of reasoning produced by the model. On the other end of the spectrum, neuro-symbolic methods such as Faithful CoT (F-CoT) propose to combine LLMs with external symbolic solvers. While such approaches boast a high degree of faithfulness, they usually require a model trained for code generation and struggle with tasks that are ambiguous or hard to formalise strictly. We introduce Faithful Logic-Aided Reasoning and Exploration (\ours), a novel interpretable approach for traversing the problem space using task decompositions. We use the LLM to plan a solution, soft-formalise the query into facts and predicates using a logic programming code and simulate that code execution using an exhaustive multi-hop search over the defined space. Our method allows us to compute the faithfulness of the reasoning process w.r.t. the generated code and analyse the steps of the multi-hop search without relying on external solvers. Our methods achieve SOTA results on 7 out of 9 diverse reasoning benchmarks. We also show that model faithfulness positively correlates with overall performance and further demonstrate that {\ours} allows pinpointing the decisive factors sufficient for and leading to the correct answer with optimal reasoning during the multi-hop search.

  • 5 authors
·
Oct 14, 2024 2

Parsel: Algorithmic Reasoning with Language Models by Composing Decompositions

Despite recent success in large language model (LLM) reasoning, LLMs struggle with hierarchical multi-step reasoning tasks like generating complex programs. For these tasks, humans often start with a high-level algorithmic design and implement each part gradually. We introduce Parsel, a framework enabling automatic implementation and validation of complex algorithms with code LLMs. With Parsel, we automatically decompose algorithmic tasks into hierarchical natural language function descriptions and then search over combinations of possible function implementations using tests. We show that Parsel can be used across domains requiring hierarchical reasoning, including program synthesis and robotic planning. We find that, using Parsel, LLMs solve more competition-level problems in the APPS dataset, resulting in pass rates over 75\% higher than prior results from directly sampling AlphaCode and Codex, while often using a smaller sample budget. Moreover, with automatically generated tests, we find that Parsel can improve the state-of-the-art pass@1 performance on HumanEval from 67\% to 85\%. We also find that LLM-generated robotic plans using Parsel are more than twice as likely to be considered accurate than directly generated plans. Lastly, we explore how Parsel addresses LLM limitations and discuss how Parsel may be useful for human programmers. We release our code at https://github.com/ezelikman/parsel

  • 5 authors
·
Dec 20, 2022

CRAFT: Customizing LLMs by Creating and Retrieving from Specialized Toolsets

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.

  • 6 authors
·
Sep 29, 2023

FactBench: A Dynamic Benchmark for In-the-Wild Language Model Factuality Evaluation

Language models (LMs) are widely used by an increasing number of users, underscoring the challenge of maintaining factuality across a broad range of topics. We first present VERIFY (Verification and Evidence RetrIeval for FactualitY evaluation), a pipeline to evaluate LMs' factuality in real-world user interactions. VERIFY considers the verifiability of LM-generated content and categorizes content units as supported, unsupported, or undecidable based on the retrieved evidence from the Web. Importantly, factuality judgment by VERIFY correlates better with human evaluations than existing methods. Using VERIFY, we identify "hallucination prompts" across diverse topics, i.e., those eliciting the highest rates of incorrect and inconclusive LM responses. These prompts form FactBench, a dataset of 1K prompts across 150 fine-grained topics. Our dataset captures emerging factuality challenges in real-world LM interactions and can be regularly updated with new prompts. We benchmark widely-used LMs from GPT, Gemini, and Llama3.1 family on FactBench, yielding the following key findings: (i) Proprietary models exhibit better factuality, with performance declining from Easy to Hard hallucination prompts. (ii) Llama3.1-405B-Instruct shows comparable or lower factual accuracy than Llama3.1-70B-Instruct across all evaluation methods due to its higher subjectivity that leads to more content labeled as undecidable. (iii) Gemini1.5-Pro shows a significantly higher refusal rate, with over-refusal in 25% of cases. Our code and data are publicly available at https://huggingface.co/spaces/launch/factbench.

  • 4 authors
·
Oct 29, 2024

AI-Driven Scholarly Peer Review via Persistent Workflow Prompting, Meta-Prompting, and Meta-Reasoning

Critical peer review of scientific manuscripts presents a significant challenge for Large Language Models (LLMs), partly due to data limitations and the complexity of expert reasoning. This report introduces Persistent Workflow Prompting (PWP), a potentially broadly applicable prompt engineering methodology designed to bridge this gap using standard LLM chat interfaces (zero-code, no APIs). We present a proof-of-concept PWP prompt for the critical analysis of experimental chemistry manuscripts, featuring a hierarchical, modular architecture (structured via Markdown) that defines detailed analysis workflows. We develop this PWP prompt through iterative application of meta-prompting techniques and meta-reasoning aimed at systematically codifying expert review workflows, including tacit knowledge. Submitted once at the start of a session, this PWP prompt equips the LLM with persistent workflows triggered by subsequent queries, guiding modern reasoning LLMs through systematic, multimodal evaluations. Demonstrations show the PWP-guided LLM identifying major methodological flaws in a test case while mitigating LLM input bias and performing complex tasks, including distinguishing claims from evidence, integrating text/photo/figure analysis to infer parameters, executing quantitative feasibility checks, comparing estimates against claims, and assessing a priori plausibility. To ensure transparency and facilitate replication, we provide full prompts, detailed demonstration analyses, and logs of interactive chats as supplementary resources. Beyond the specific application, this work offers insights into the meta-development process itself, highlighting the potential of PWP, informed by detailed workflow formalization, to enable sophisticated analysis using readily available LLMs for complex scientific tasks.

  • 1 authors
·
May 6, 2025 2

Evaluating LLMs on Sequential API Call Through Automated Test Generation

By integrating tools from external APIs, Large Language Models (LLMs) have expanded their promising capabilities in a diverse spectrum of complex real-world tasks. However, testing, evaluation, and analysis of LLM tool use remain in their early stages. Most existing benchmarks rely on manually collected test cases, many of which cannot be automatically checked for semantic correctness and instead depend on static methods such as string matching. Additionally, these benchmarks often overlook the complex interactions that occur between sequential API calls, which are common in real-world applications. To fill the gap, in this paper, we introduce StateGen, an automated framework designed to generate diverse coding tasks involving sequential API interactions. StateGen combines state-machine-based API constraint solving and validation, energy-based sampling, and control-flow injection to generate executable programs. These programs are then translated into human-like natural language task descriptions through a collaboration of two LLM agents. Utilizing StateGen, we construct StateEval, a benchmark encompassing 120 verified test cases spanning across three representative scenarios: Session Service, Tensor Operation, and ElevenLabs MCP. Experimental results confirm that StateGen can effectively generate challenging and realistic API-oriented tasks, highlighting areas for improvement in current LLMs incorporating APIs.We make our framework and benchmark publicly available to support future research.

  • 7 authors
·
Jul 12, 2025 1

VulnLLM-R: Specialized Reasoning LLM with Agent Scaffold for Vulnerability Detection

We propose VulnLLM-R, the~first specialized reasoning LLM for vulnerability detection. Our key insight is that LLMs can reason about program states and analyze the potential vulnerabilities, rather than simple pattern matching. This can improve the model's generalizability and prevent learning shortcuts. However, SOTA reasoning LLMs are typically ultra-large, closed-source, or have limited performance in vulnerability detection. To address this, we propose a novel training recipe with specialized data selection, reasoning data generation, reasoning data filtering and correction, and testing-phase optimization. Using our proposed methodology, we train a reasoning model with seven billion parameters. Through extensive experiments on SOTA datasets across Python, C/C++, and Java, we show that VulnLLM-R has superior effectiveness and efficiency than SOTA static analysis tools and both open-source and commercial large reasoning models. We further conduct a detailed ablation study to validate the key designs in our training recipe. Finally, we construct an agent scaffold around our model and show that it outperforms CodeQL and AFL++ in real-world projects. Our agent further discovers a set of zero-day vulnerabilities in actively maintained repositories. This work represents a pioneering effort to enable real-world, project-level vulnerability detection using AI agents powered by specialized reasoning models. The code is available at~https://github.com/ucsb-mlsec/VulnLLM-R{github}.

  • 8 authors
·
Dec 8, 2025

ASTRAL: Automated Safety Testing of Large Language Models

Large Language Models (LLMs) have recently gained attention due to their ability to understand and generate sophisticated human-like content. However, ensuring their safety is paramount as they might provide harmful and unsafe responses. Existing LLM testing frameworks address various safety-related concerns (e.g., drugs, terrorism, animal abuse) but often face challenges due to unbalanced and obsolete datasets. In this paper, we present ASTRAL, a tool that automates the generation and execution of test cases (i.e., prompts) for testing the safety of LLMs. First, we introduce a novel black-box coverage criterion to generate balanced and diverse unsafe test inputs across a diverse set of safety categories as well as linguistic writing characteristics (i.e., different style and persuasive writing techniques). Second, we propose an LLM-based approach that leverages Retrieval Augmented Generation (RAG), few-shot prompting strategies and web browsing to generate up-to-date test inputs. Lastly, similar to current LLM test automation techniques, we leverage LLMs as test oracles to distinguish between safe and unsafe test outputs, allowing a fully automated testing approach. We conduct an extensive evaluation on well-known LLMs, revealing the following key findings: i) GPT3.5 outperforms other LLMs when acting as the test oracle, accurately detecting unsafe responses, and even surpassing more recent LLMs (e.g., GPT-4), as well as LLMs that are specifically tailored to detect unsafe LLM outputs (e.g., LlamaGuard); ii) the results confirm that our approach can uncover nearly twice as many unsafe LLM behaviors with the same number of test inputs compared to currently used static datasets; and iii) our black-box coverage criterion combined with web browsing can effectively guide the LLM on generating up-to-date unsafe test inputs, significantly increasing the number of unsafe LLM behaviors.

  • 5 authors
·
Jan 28, 2025

AssertionBench: A Benchmark to Evaluate Large-Language Models for Assertion Generation

Assertions have been the de facto collateral for simulation-based and formal verification of hardware designs for over a decade. The quality of hardware verification, \ie, detection and diagnosis of corner-case design bugs, is critically dependent on the quality of the assertions. There has been a considerable amount of research leveraging a blend of data-driven statistical analysis and static analysis to generate high-quality assertions from hardware design source code and design execution trace data. Despite such concerted effort, all prior research struggles to scale to industrial-scale large designs, generates too many low-quality assertions, often fails to capture subtle and non-trivial design functionality, and does not produce any easy-to-comprehend explanations of the generated assertions to understand assertions' suitability to different downstream validation tasks. Recently, with the advent of Large-Language Models (LLMs), there has been a widespread effort to leverage prompt engineering to generate assertions. However, there is little effort to quantitatively establish the effectiveness and suitability of various LLMs for assertion generation. In this paper, we present AssertionBench, a novel benchmark to evaluate LLMs' effectiveness for assertion generation quantitatively. AssertioBench contains 100 curated Verilog hardware designs from OpenCores and formally verified assertions for each design generated from GoldMine and HARM. We use AssertionBench to compare state-of-the-art LLMs to assess their effectiveness in inferring functionally correct assertions for hardware designs. Our experiments demonstrate how LLMs perform relative to each other, the benefits of using more in-context exemplars in generating a higher fraction of functionally correct assertions, and the significant room for improvement for LLM-based assertion generators.

  • 4 authors
·
Jun 26, 2024