Daily Papers

We present EgoExo-Fitness, a new full-body action understanding dataset, featuring fitness sequence videos recorded from synchronized egocentric and fixed exocentric (third-person) cameras. Compared with existing full-body action understanding datasets, EgoExo-Fitness not only contains videos from first-person perspectives, but also provides rich annotations. Specifically, two-level temporal boundaries are provided to localize single action videos along with sub-steps of each action. More importantly, EgoExo-Fitness introduces innovative annotations for interpretable action judgement--including technical keypoint verification, natural language comments on action execution, and action quality scores. Combining all of these, EgoExo-Fitness provides new resources to study egocentric and exocentric full-body action understanding across dimensions of "what", "when", and "how well". To facilitate research on egocentric and exocentric full-body action understanding, we construct benchmarks on a suite of tasks (i.e., action classification, action localization, cross-view sequence verification, cross-view skill determination, and a newly proposed task of guidance-based execution verification), together with detailed analysis. Code and data will be available at https://github.com/iSEE-Laboratory/EgoExo-Fitness/tree/main.

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

Code LLMs still struggle with code execution reasoning, especially in smaller models. Existing methods rely on supervised fine-tuning (SFT) with teacher-generated explanations, primarily in two forms: (1) input-output (I/O) prediction chains and (2) natural-language descriptions of execution traces. However, intermediate execution steps cannot be explicitly verified during SFT, so the training objective can reduce to merely matching teacher explanations. Moreover, training data is typically collected without explicit control over task difficulty. We introduce ExecVerify, which goes beyond text imitation by incorporating verifiable white-box rewards derived from execution traces, including next-statement prediction and variable value/type prediction. Our work first builds a dataset with multiple difficulty levels via constraint-based program synthesis. Then, we apply reinforcement learning (RL) to reward correct answers about both intermediate execution steps and final outputs, aligning the training objective with semantic correctness at each execution step. Finally, we adopt a two-stage training pipeline that first enhances execution reasoning and then transfers to code generation. Experiments demonstrate that a 7B model trained with ExecVerify achieves performance comparable to 32B models on code reasoning benchmarks and improves pass@1 by up to 5.9\% on code generation tasks over strong post-training baselines.

Instruction following evaluates large language models (LLMs) on their ability to generate outputs that adhere to user-defined constraints. However, existing benchmarks often rely on templated constraint prompts, which lack the diversity of real-world usage and limit fine-grained performance assessment. To fill this gap, we propose a multi-dimensional constraint framework encompassing three constraint patterns, four constraint categories, and four difficulty levels. Building on this framework, we develop an automated instruction generation pipeline that performs constraint expansion, conflict detection, and instruction rewriting, yielding 1,200 code-verifiable instruction-following test samples. We evaluate 19 LLMs across seven model families and uncover substantial variation in performance across constraint forms. For instance, average performance drops from 77.67% at Level I to 32.96% at Level IV. Furthermore, we demonstrate the utility of our approach by using it to generate data for reinforcement learning, achieving substantial gains in instruction following without degrading general performance. In-depth analysis indicates that these gains stem primarily from modifications in the model's attention modules parameters, which enhance constraint recognition and adherence. Code and data are available in https://github.com/Junjie-Ye/MulDimIF.

Despite widespread deployment of Large Language Models, systematic evaluation of instruction-following capabilities remains challenging. While comprehensive benchmarks exist, focused assessments that quickly diagnose specific instruction adherence patterns are valuable. As newer models may be trained on existing benchmarks, novel evaluation approaches are needed to assess genuine capabilities rather than memorized performance. This paper presents a streamlined evaluation framework using twenty carefully designed prompts to assess LLM instruction-following across diverse task categories. We demonstrate this framework through a large-scale empirical study conducted on October 14, 2025, testing 256 verified working models from 331 available via OpenRouter. To ensure methodological rigor and prevent selection bias, we first verified each model's basic functionality before inclusion. Unlike large-scale benchmarks requiring extensive computational resources, our approach offers a practical diagnostic tool researchers and practitioners can readily apply. Our methodology builds upon verifiable instructions while introducing a compact test suite balancing comprehensiveness with efficiency. Each prompt targets distinct aspects of instruction following, including format compliance, content constraints, logical sequencing, and multi-step task execution. We evaluate models from major providers (OpenAI, Anthropic, Google, Meta, Mistral) and emerging implementations (Qwen, DeepSeek, community models), providing comparative performance analysis. Our findings reveal consistent failure modes and identify specific instruction types posing particular challenges. This work contributes both a practical evaluation tool and one of the most comprehensive empirical analyses of instruction-following capabilities across the contemporary LLM landscape.

We present a novel approach to neural code generation that incorporates real-time execution signals into the language model generation process. While large language models (LLMs) have demonstrated impressive code generation capabilities, they typically do not utilize execution feedback during inference, a critical signal that human programmers regularly leverage. Our method, Execution-Guided Classifier-Free Guidance (EG-CFG), dynamically incorporates execution signals as the model generates code, providing line-by-line feedback that guides the generation process toward executable solutions. EG-CFG employs a multi-stage process: first, we conduct beam search to sample candidate program completions for each line; second, we extract execution signals by executing these candidates against test cases; and finally, we incorporate these signals into the prompt during generation. By maintaining consistent signals across tokens within the same line and refreshing signals at line boundaries, our approach provides coherent guidance while preserving syntactic structure. Moreover, the method naturally supports native parallelism at the task level in which multiple agents operate in parallel, exploring diverse reasoning paths and collectively generating a broad set of candidate solutions. Our experiments across diverse coding tasks demonstrate that EG-CFG significantly improves code generation performance compared to standard approaches, achieving state-of-the-art results across various levels of complexity, from foundational problems to challenging competitive programming and data science tasks. Our code is available at: https://github.com/boazlavon/eg_cfg

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.

Reinforcement learning with verifiable rewards (RLVR) has become a key technique for enhancing large language models (LLMs), with verification engineering playing a central role. However, best practices for RL in instruction following remain underexplored. In this work, we explore the verification challenge in RL for instruction following and propose VerIF, a verification method that combines rule-based code verification with LLM-based verification from a large reasoning model (e.g., QwQ-32B). To support this approach, we construct a high-quality instruction-following dataset, VerInstruct, containing approximately 22,000 instances with associated verification signals. We apply RL training with VerIF to two models, achieving significant improvements across several representative instruction-following benchmarks. The trained models reach state-of-the-art performance among models of comparable size and generalize well to unseen constraints. We further observe that their general capabilities remain unaffected, suggesting that RL with VerIF can be integrated into existing RL recipes to enhance overall model performance. We have released our datasets, codes, and models to facilitate future research at https://github.com/THU-KEG/VerIF.

Following natural instructions is crucial for the effective application of Retrieval-Augmented Generation (RAG) systems. Despite recent advancements in Large Language Models (LLMs), research on assessing and improving instruction-following (IF) alignment within the RAG domain remains limited. To address this issue, we propose VIF-RAG, the first automated, scalable, and verifiable synthetic pipeline for instruction-following alignment in RAG systems. We start by manually crafting a minimal set of atomic instructions (<100) and developing combination rules to synthesize and verify complex instructions for a seed set. We then use supervised models for instruction rewriting while simultaneously generating code to automate the verification of instruction quality via a Python executor. Finally, we integrate these instructions with extensive RAG and general data samples, scaling up to a high-quality VIF-RAG-QA dataset (>100k) through automated processes. To further bridge the gap in instruction-following auto-evaluation for RAG systems, we introduce FollowRAG Benchmark, which includes approximately 3K test samples, covering 22 categories of general instruction constraints and four knowledge-intensive QA datasets. Due to its robust pipeline design, FollowRAG can seamlessly integrate with different RAG benchmarks. Using FollowRAG and eight widely-used IF and foundational abilities benchmarks for LLMs, we demonstrate that VIF-RAG markedly enhances LLM performance across a broad range of general instruction constraints while effectively leveraging its capabilities in RAG scenarios. Further analysis offers practical insights for achieving IF alignment in RAG systems. Our code and datasets are released at https://FollowRAG.github.io.

A crucial factor for successful human and AI interaction is the ability of language models or chatbots to follow human instructions precisely. A common feature of instructions are output constraints like ``only answer with yes or no" or ``mention the word `abrakadabra' at least 3 times" that the user adds to craft a more useful answer. Even today's strongest models struggle with fulfilling such constraints. We find that most models strongly overfit on a small set of verifiable constraints from the benchmarks that test these abilities, a skill called precise instruction following, and are not able to generalize well to unseen output constraints. We introduce a new benchmark, IFBench, to evaluate precise instruction following generalization on 58 new, diverse, and challenging verifiable out-of-domain constraints. In addition, we perform an extensive analysis of how and on what data models can be trained to improve precise instruction following generalization. Specifically, we carefully design constraint verification modules and show that reinforcement learning with verifiable rewards (RLVR) significantly improves instruction following. In addition to IFBench, we release 29 additional new hand-annotated training constraints and verification functions, RLVR training prompts, and code.

The demonstrated code-understanding capability of LLMs raises the question of whether they can be used for automated program verification, a task that often demands high-level abstract reasoning about program properties, which is challenging for verification tools. We propose a general methodology to combine the power of LLMs and automated reasoners for automated program verification. We formally describe this methodology as a set of derivation rules and prove its soundness. We instantiate the calculus as a sound automated verification procedure, which led to practical improvements on a set of synthetic and competition benchmarks.

Large language models generate plausible code but cannot verify correctness. Existing multi-agent systems simulate execution or leave verification optional. We introduce execution-grounded verification as a first-class principle: every code change must survive sandboxed execution before propagation. We instantiate this principle in AGENTFORGE, a multi-agent framework where Planner, Coder, Tester, Debugger, and Critic agents coordinate through shared memory and a mandatory Docker sandbox. We formalize software engineering with LLMs as an iterative decision process over repository states, where execution feedback provides a stronger supervision signal than next-token likelihood. AGENTFORGE achieves 40.0\% resolution on SWE-BENCH Lite, outperforming single-agent baselines by 26--28 points. Ablations confirm that execution feedback and role decomposition each independently drive performance. The framework is open-source at https://github.com/raja21068/AutoCodeAI.

We address the problem of runtime trajectory anomaly detection, a critical capability for enabling trustworthy LLM agents. Current safety measures predominantly focus on static input/output filtering. However, we argue that ensuring LLM agents reliability requires auditing the intermediate execution process. In this work, we formulate the task of Trajectory Anomaly Detection. The goal is not merely detection, but precise error localization. This capability is essential for enabling efficient rollback-and-retry. To achieve this, we construct TrajBench, a dataset synthesized via a perturb-and-complete strategy to cover diverse procedural anomalies. Using this benchmark, we investigate the capability of models in process supervision. We observe that general-purpose LLMs, even with zero-shot prompting, struggle to identify and localize these anomalies. This reveals that generalized capabilities do not automatically translate to process reliability. To address this, we propose TrajAD, a specialized verifier trained with fine-grained process supervision. Our approach outperforms baselines, demonstrating that specialized supervision is essential for building trustworthy agents.

Existing code reasoning methods primarily supervise final code outputs, ignoring intermediate states, often leading to reward hacking where correct answers are obtained through inconsistent reasoning. We propose StepCodeReasoner, a framework that introduces explicit intermediate execution-state supervision. By automatically inserting structured print-based execution-trace anchors into code, the model is trained to predict runtime states at each step, transforming code reasoning into a verifiable, stepwise execution modeling problem. Building on this execution-aware method, we introduce Bi-Level GRPO, a reinforcement learning algorithm for structured credit assignment at two levels: inter-trajectory, comparing alternative execution paths, and intra-trajectory, rewarding intermediate accuracy based on its impact on downstream correctness. Extensive experiments demonstrate that StepCodeReasoner achieves SOTA performance in code reasoning. In particular, our 7B model achieves 91.1\% on CRUXEval and 86.5\% on LiveCodeBench, outperforming the CodeReasoner-7B baseline (86.0\% and 77.7\%) and GPT-4o (85.6\% and 75.1\%). Furthermore, on the execution-trace benchmark REval, our model scores 82.9\%, outperforming baseline CodeReasoner-7B (72.3\%), its 14B counterpart (81.1\%), and GPT-4o (77.3\%). Additionally, our approach also improves code generation performance, demonstrating that explicit execution modeling enhances both code reasoning and code generation.

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.

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

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

Symbolic execution detects vulnerabilities with precision, but applying it to large codebases requires harnesses that set up symbolic state, model dependencies, and specify assertions. Writing these harnesses has traditionally been a manual process requiring expert knowledge, which significantly limits the scalability of the technique. We present Static Analysis Informed and LLM-Orchestrated Symbolic Execution (SAILOR), which automates symbolic execution harness construction by combining static analysis with LLM-based synthesis. SAILOR operates in three phases: (1) static analysis identifies candidate vulnerable locations and generates vulnerability specifications; (2) an LLM uses vulnerability specifications and orchestrates harness synthesis by iteratively refining drivers, stubs, and assertions against compiler and symbolic execution feedback; symbolic execution then detects vulnerabilities using the generated harness, and (3) concrete replay validates the symbolic execution results against the unmodified project source. This design combines the scalability of static analysis, the code reasoning of LLMs, the path precision of symbolic execution, and the ground truth produced by concrete execution. We evaluate SAILOR on 10 open-source C/C++ projects totaling 6.8 M lines of code. SAILOR discovers 379 distinct, previously unknown memory-safety vulnerabilities (421 confirmed crashes). The strongest of five baselines we compare SAILOR to (agentic vulnerability detection using Claude Code with full codebase access and unlimited interaction), finds only 12 vulnerabilities. Each phase of SAILOR is critical: Without static analysis targeting confirmed vulnerabilities drop 12.2X; without iterative LLM synthesis zero vulnerabilities are confirmed; and without symbolic execution no approach can detect more than 12 vulnerabilities.

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

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

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.

Autonomous coding agents are increasingly integrated into software development workflows, offering capabilities that extend beyond code suggestion to active system interaction and environment management. OpenClaw, a representative platform in this emerging paradigm, introduces an extensible skill ecosystem that allows third-party developers to inject behavioral guidance through lifecycle hooks during agent initialization. While this design enhances automation and customization, it also opens a novel and unexplored attack surface. In this paper, we identify and systematically characterize guidance injection, a stealthy attack vector that embeds adversarial operational narratives into bootstrap guidance files. Unlike traditional prompt injection, which relies on explicit malicious instructions, guidance injection manipulates the agent's reasoning context by framing harmful actions as routine best practices. These narratives are automatically incorporated into the agent's interpretive framework and influence future task execution without raising suspicion.We construct 26 malicious skills spanning 13 attack categories including credential exfiltration, workspace destruction, privilege escalation, and persistent backdoor installation. We evaluate them using ORE-Bench, a realistic developer workspace benchmark we developed. Across 52 natural user prompts and six state-of-the-art LLM backends, our attacks achieve success rates from 16.0% to 64.2%, with the majority of malicious actions executed autonomously without user confirmation. Furthermore, 94% of our malicious skills evade detection by existing static and LLM-based scanners. Our findings reveal fundamental tensions in the design of autonomous agent ecosystems and underscore the urgent need for defenses based on capability isolation, runtime policy enforcement, and transparent guidance provenance.

Reasoning in language models is difficult to evaluate: natural-language traces are unverifiable, symbolic datasets are too small, and most benchmarks conflate heuristics with inference. We present FOL-Traces, the first large-scale dataset of programmatically verified reasoning traces, enabling rigorous evaluation of structured logical inference. We also propose two challenging and comprehensive diagnostic tasks-masked operation prediction and step completion-that directly probe syntactic awareness and process fidelity. FOL-Traces serves as a scalable testbed for rigorously studying how models perform structured logical inference. Systematic experiments with 5 reasoning LLMs show that the dataset remains challenging: models only reach around 45.7% accuracy on masked operation prediction and around 27% on two-step completion.

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.

Mining specifications from execution traces presents an automated way of capturing characteristic system behaviors. However, existing approaches are largely restricted to Boolean abstractions of events, limiting their ability to express data-aware properties. In this paper, we extend mining procedures to operate over richer datatypes. We first establish candidate functions in our domain that cover the set of traces by leveraging Syntax Guided Synthesis (SyGuS) techniques. To capture these function applications temporally, we formalize the semantics of TSL_f, a finite-prefix interpretation of Temporal Stream Logic (TSL) that extends LTL_f with support for first-order predicates and functional updates. This allows us to unify a corresponding procedure for learning the data transformations and temporal specifications of a system. We demonstrate our approach synthesizing reactive programs from mined specifications on the OpenAI-Gymnasium ToyText environments, finding that our method is more robust and orders of magnitude more sample-efficient than passive learning baselines on generalized problem instances.

Large Language Models have demonstrated remarkable capabilities in code generation, yet they often struggle with complex programming tasks that require deep algorithmic reasoning. While process supervision through learned reward models shows promise in guiding reasoning steps, it requires expensive training data and suffers from unreliable evaluation. We propose Outcome-Refining Process Supervision, a novel paradigm that treats outcome refinement itself as the process to be supervised. Our framework leverages concrete execution signals to ground the supervision of reasoning steps, while using tree-structured exploration to maintain multiple solution trajectories simultaneously. Experiments demonstrate that our approach enables even smaller models to achieve high success accuracy and performance metrics on competitive programming tasks, creates more reliable verification than traditional reward models without requiring training PRMs. Our approach achieves significant improvements across 5 models and 3 datasets: an average of 26.9% increase in correctness and 42.2% in efficiency. The results suggest that providing structured reasoning space with concrete verification signals is crucial for solving complex programming tasks. We open-source all our code and data at: https://github.com/zhuohaoyu/ORPS

In recent years, large language models (LLMs) have made significant progress in code intelligence, yet systematically evaluating their code understanding and reasoning abilities remains challenging. Mainstream benchmarks such as HumanEval and MBPP primarily assess functional correctness, while reasoning benchmarks like CRUXEVAL are limited to single-function, low-complexity scenarios. As a result, advanced models achieve nearly saturated scores, limiting their discriminative power. To address this, we present STEPWISE-CODEX-Bench (SX-Bench), a novel benchmark designed for complex multi-function understanding and fine-grained execution reasoning. SX-Bench features tasks involving collaboration among multiple sub-functions (e.g., chained calls, nested loops), shifting evaluation towards overall control and data flow modeling. It defines "computation steps" as the minimal execution unit and requires models to predict the total number of steps in reasoning tasks, thereby assessing a model's in-depth understanding of dynamic execution beyond simple I/O matching. Evaluation on over 20 mainstream models (including 14 reasoning-enhanced models) demonstrates that SX-Bench is highly discriminative: even the state-of-the-art OpenAI-O3 achieves only 78.37 percent accuracy on Hard-Reasoning tasks, much lower than its saturated scores on previous benchmarks, thereby revealing bottlenecks in complex and fine-grained reasoning. We also release an automated pipeline combining program synthesis, symbolic execution, and LLM-aided validation for efficient benchmark generation and quality assurance. SX-Bench advances code evaluation from "single-function verification" to "multi-function dynamic reasoning," providing a key tool for the in-depth assessment of advanced code intelligence models.

LLM agents operating in open environments face escalating risks from indirect prompt injection, particularly within the tool stream where manipulated metadata and runtime feedback hijack execution flow. Existing defenses encounter a critical dilemma as advanced models prioritize injected rules due to strict alignment while static protection mechanisms sever the feedback loop required for adaptive reasoning. To reconcile this conflict, we propose VIGIL, a framework that shifts the paradigm from restrictive isolation to a verify-before-commit protocol. By facilitating speculative hypothesis generation and enforcing safety through intent-grounded verification, VIGIL preserves reasoning flexibility while ensuring robust control. We further introduce SIREN, a benchmark comprising 959 tool stream injection cases designed to simulate pervasive threats characterized by dynamic dependencies. Extensive experiments demonstrate that VIGIL outperforms state-of-the-art dynamic defenses by reducing the attack success rate by over 22\% while more than doubling the utility under attack compared to static baselines, thereby achieving an optimal balance between security and utility.

LLMs demonstrate strong performance on code benchmarks, yet round-trip code execution reveals limitations in their ability to maintain consistent reasoning across forward and backward execution. We present RoundTripCodeEval (RTCE), a comprehensive benchmark consisting of four distinct code execution reasoning tasks designed to rigorously test round-trip consistency. RTCE provides an execution-free, exact-match evaluation of bijection fidelity, assessing whether models preserve a consistent one-to-one mapping between encoding and decoding operations across various algorithms and directions. We systematically evaluate state-of-the-art Code-LLMs using zero-shot prompting, supervised fine-tuning on execution traces, and self-reflection mechanisms. Each yields modest improvements, but none closes the gap, indicating that current LLMs struggle with true round-trip consistency, which demonstrates that they lack the internal coherence required for trustworthy code reasoning. RTCE surfaces several new and previously unmeasured insights that are not captured by existing I/O-prediction, execution-reasoning, or round-trip natural-language benchmarks. We will release the code and the dataset upon acceptance.

Trusted Execution Environments (TEEs) provide hardware-enforced isolation that protects sensitive code and data from untrusted software. Despite their strong security guarantees, analyzing TEE applications remains challenging due to the high cost and complexity of configuring complete TEE build and runtime environments, as well as the limited observability imposed by hardware isolation. This paper presents SymTEE, a novel large language model (LLM)-assisted symbolic execution framework for detecting missing input validation issues in TEE applications without requiring real TEE setups. SymTEE begins by leveraging Abstract Syntax Tree (AST) analysis to extract TEE code slices that may lack sufficient input validation, and then employs an LLM (GPT-5 in our case) to automatically convert the extracted slices into KLEE-compatible harness programs containing lightweight mock execution environments for symbolic analysis. Evaluations on 26 vulnerabilities (11 real-world and 15 synthetic) show that SymTEE achieves 100% precision and 92.3% recall in detecting missing input validation vulnerabilities while incurring an average analysis cost of only $0.05. These results demonstrate the effectiveness and practicality of SymTEE's pioneering paradigm of LLM-assisted symbolic execution, where LLMs autonomously generate mock environments to enable automated security analysis without complex setup, providing a more accessible and scalable framework for trusted computing systems.

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.

Execution-aware LLM agents offer a promising paradigm for learning from tool feedback, but such feedback is often expensive and slow to obtain, making online reinforcement learning (RL) impractical. High-coverage hardware verification exemplifies this challenge due to its reliance on industrial simulators and non-differentiable execution signals. We propose LLM4Cov, an offline agent-learning framework that models verification as memoryless state transitions guided by deterministic evaluators. Building on this formulation, we introduce execution-validated data curation, policy-aware agentic data synthesis, and worst-state-prioritized sampling to enable scalable learning under execution constraints. We further curate a reality-aligned benchmark adapted from an existing verification suite through a revised evaluation protocol. Using the proposed pipeline, a compact 4B-parameter model achieves 69.2% coverage pass rate under agentic evaluation, outperforming its teacher by 5.3% and demonstrating competitive performance against models an order of magnitude larger.

One core capability of Large Language Models (LLMs) is to follow natural language instructions. However, the evaluation of such abilities is not standardized: Human evaluations are expensive, slow, and not objectively reproducible, while LLM-based auto-evaluation is potentially biased or limited by the ability of the evaluator LLM. To overcome these issues, we introduce Instruction-Following Eval (IFEval) for large language models. IFEval is a straightforward and easy-to-reproduce evaluation benchmark. It focuses on a set of "verifiable instructions" such as "write in more than 400 words" and "mention the keyword of AI at least 3 times". We identified 25 types of those verifiable instructions and constructed around 500 prompts, with each prompt containing one or more verifiable instructions. We show evaluation results of two widely available LLMs on the market. Our code and data can be found at https://github.com/google-research/google-research/tree/master/instruction_following_eval

Most existing pre-trained language models for source code focus on learning the static code text, typically augmented with static code structures (abstract syntax tree, dependency graphs, etc.). However, program semantics will not be fully exposed before the real execution. Without an understanding of the program execution, statically pre-trained models fail to comprehensively capture the dynamic code properties, such as the branch coverage and the runtime variable values, and they are consequently less effective at code understanding tasks, such as retrieving semantic clones and detecting software vulnerabilities. To close the gap between the static nature of language models and the dynamic characteristics of programs, we introduce TRACED, an execution-aware pre-training strategy for source code. Specifically, we pre-train code language models with a combination of source code, executable inputs, and corresponding execution traces. Our goal is to teach code models the complicated execution logic during the pre-training, enabling the model to statically estimate the dynamic code properties without repeatedly executing code during task-specific fine-tuning. To illustrate the effectiveness of our proposed approach, we fine-tune and evaluate TRACED on three downstream tasks: static execution estimation, clone retrieval, and vulnerability detection. The empirical results show that TRACED relatively improves the statically pre-trained code models by 12.4% for complete execution path prediction and by 25.2% for runtime variable value predictions. TRACED also significantly outperforms statically pre-trained models in clone retrieval and vulnerability detection across four public benchmarks.

Evaluating instruction following capabilities for multimodal, multi-turn dialogue is challenging. With potentially multiple instructions in the input model context, the task is time-consuming for human raters and we show LLM based judges are biased towards answers from the same model. We propose MMMT-IF, an image based multi-turn Q&A evaluation set with added global instructions between questions, constraining the answer format. This challenges models to retrieve instructions dispersed across long dialogues and reason under instruction constraints. All instructions are objectively verifiable through code execution. We introduce the Programmatic Instruction Following (PIF) metric to measure the fraction of the instructions that are correctly followed while performing a reasoning task. The PIF-N-K set of metrics further evaluates robustness by measuring the fraction of samples in a corpus where, for each sample, at least K out of N generated model responses achieve a PIF score of one. The PIF metric aligns with human instruction following ratings, showing 60 percent correlation. Experiments show Gemini 1.5 Pro, GPT-4o, and Claude 3.5 Sonnet, have a PIF metric that drops from 0.81 on average at turn 1 across the models, to 0.64 at turn 20. Across all turns, when each response is repeated 4 times (PIF-4-4), GPT-4o and Gemini successfully follow all instructions only 11% of the time. When all the instructions are also appended to the end of the model input context, the PIF metric improves by 22.3 points on average, showing that the challenge with the task lies not only in following the instructions, but also in retrieving the instructions spread out in the model context. We plan to open source the MMMT-IF dataset and metric computation code.

The main issue with most evaluation schemes today is their "static" nature: the same problems are reused repeatedly, allowing for memorization, format exploitation, and eventual saturation. To measure genuine AI progress, we need evaluation that is robust by construction, not by post-hoc detection. In response, we propose VeRA (Verified Reasoning Data Augmentation), a framework that converts benchmark problems into executable specifications, comprising (i) a natural language template with placeholder slots, (ii) a coherent generator that samples valid configurations, and (iii) a deterministic verifier that validates parameters and calculates the corresponding correct answers for each configuration. From a single seed problem, VeRA automatically creates unlimited verified variants with reliable labels at near-zero marginal cost without human involvement. VeRA operates in two complementary modes. VeRA-E (equivalent) rewrites problems while keeping the underlying logic intact, useful for detecting memorization versus genuine reasoning. VeRA-H (hardened) systematically increases complexity while remaining verifiable, enabling reliable creation and labelling of fresh difficult tasks at the boundary of intelligence. Evaluating 16 frontier models with VeRA, we find: (i) VeRA-E improves evaluation quality and reveals contamination patterns. (ii) VeRA-H enables human-free generation of hard tasks with reliable labels. (iii) VeRA establishes verified benchmarks as a general paradigm. VeRA reconceptualizes benchmarks from static objects used until exhausted, to executable specifications generating fresh, verified instances on demand, enhancing robustness and cost-effectiveness for evaluation. With VeRA, we envision that evaluation in any verifiable domain can scale indefinitely without sacrificing label integrity. To stimulate future research, we have open-sourced all code and datasets.

A fundamental skill among human developers is the ability to understand and reason about program execution. As an example, a programmer can mentally simulate code execution in natural language to debug and repair code (aka. rubber duck debugging). However, large language models (LLMs) of code are typically trained on the surface textual form of programs, thus may lack a semantic understanding of how programs execute at run-time. To address this issue, we propose NExT, a method to teach LLMs to inspect the execution traces of programs (variable states of executed lines) and reason about their run-time behavior through chain-of-thought (CoT) rationales. Specifically, NExT uses self-training to bootstrap a synthetic training set of execution-aware rationales that lead to correct task solutions (e.g., fixed programs) without laborious manual annotation. Experiments on program repair tasks based on MBPP and HumanEval demonstrate that NExT improves the fix rate of a PaLM 2 model, by 26.1% and 14.3% absolute, respectively, with significantly improved rationale quality as verified by automated metrics and human raters. Our model can also generalize to scenarios where program traces are absent at test-time.

LLM agents are increasingly deployed as executable systems that use tools, modify workspaces, and produce concrete artifacts. In such workflows, performance depends not only on the base model, but also on the harness: the system layer that manages context, tools, state, constraints, permissions, tracing, and recovery. However, existing benchmarks typically abstract away execution, compare complete agent systems, or hold the harness fixed, making execution-layer variation difficult to study. We introduce Harness-Bench, a diagnostic benchmark for evaluating configuration-level harness effects in realistic agent workflows. Harness-Bench evaluates representative harness configurations across multiple model backends under shared task environments, budgets, and evaluation protocols, while preserving each harness's native execution behavior. The benchmark contains 106 sandboxed offline tasks constructed from practical agent-use patterns and manually reviewed for realism, solvability, oracle-checkability, and integrity. Each run records final artifacts, execution traces, usage statistics, and validator outputs, enabling analysis beyond final completion. Across 5,194 execution trajectories, we observe substantial variation in completion, process quality, efficiency, and failure behavior across model-harness pairings. These results suggest that agent capability should be reported at the model-harness configuration level rather than attributed to the base model alone. Our analysis further identifies recurring execution-alignment failures, where plausible reasoning becomes decoupled from tool feedback, workspace state, evidence, or verifiable output contracts. Harness-Bench provides a reproducible foundation for diagnosing and improving reliable, efficient, and auditable agent execution stacks.

Code large language models (Code LLMs) have made significant progress in code generation by translating natural language descriptions into functional code; however, real-world applications often demand stricter adherence to detailed requirements such as coding style, line count, and structural constraints, beyond mere correctness. To address this, the paper introduces forward and backward constraints generation to improve the instruction-following capabilities of Code LLMs in controlled code generation, ensuring outputs align more closely with human-defined guidelines. The authors further present IFEvalCode, a multilingual benchmark comprising 1.6K test samples across seven programming languages (Python, Java, JavaScript, TypeScript, Shell, C++, and C#), with each sample featuring both Chinese and English queries. Unlike existing benchmarks, IFEvalCode decouples evaluation into two metrics: correctness (Corr.) and instruction-following (Instr.), enabling a more nuanced assessment. Experiments on over 40 LLMs reveal that closed-source models outperform open-source ones in controllable code generation and highlight a significant gap between the models' ability to generate correct code versus code that precisely follows instructions.

Large language models still struggle with contest-level programming, while many agentic remedies rely on massive inference-time sampling or expensive multi-stage post-training. We study when execution feedback reliably helps an LLM CP solver and which mechanisms govern the gains. We model feedback-driven solving as a calibrated stopped process and identify three quantities: false-admission risk, program-level evidence against bad programs, and the active-state success hazard. Under held-out trace calibration and selection from a pre-declared finite controller manifest, the resulting structural certificate lower-bounds the clean success probability before false admission. We instantiate mechanisms targeting these quantities as Dual-Granularity Verification, Test Augmentation, and Experience-Driven Self-Evolving, yielding CP-Agent. Without updating any parameters, CP-Agent raises Pass@1 from 25.8\% to 48.5\% on LiveCodeBench Pro and improves Refine@5 by 11.0\% on ICPC-Eval. Across three LLM backbones, CP-Agent lies on the cost--accuracy efficiency frontier, and ablations show that each component primarily affects its corresponding certificate quantity.

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

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

Verifying the reliability of complex, multi-step reasoning in Large Language Models (LLMs) remains a fundamental challenge, as existing methods often lack both faithfulness and precision. To address this issue, we propose the Graph of Verification (GoV) framework. GoV offers three key contributions: First, it explicitly models the underlying deductive process as a directed acyclic graph (DAG), whether this structure is implicit or explicitly constructed. Second, it enforces a topological order over the DAG to guide stepwise verification. Third, GoV introduces the notion of customizable node blocks, which flexibly define the verification granularity, from atomic propositions to full paragraphs, while ensuring that all requisite premises derived from the graph are provided as contextual input for each verification unit. We evaluate GoV on the Number Triangle Summation task and the ProcessBench benchmark with varying levels of reasoning complexity. Experimental results show that GoV substantially improves verification accuracy, faithfulness, and error localization when compared to conventional end-to-end verification approaches. Our code and data are available at https://github.com/Frevor/Graph-of-Verification.

Instruction following is a key capability for LLMs. However, recent studies have shown that LLMs often struggle with instructions containing multiple constraints (e.g. a request to create a social media post "in a funny tone" with "no hashtag"). Despite this, most evaluations focus solely on synthetic data. To address this, we introduce RealInstruct, the first benchmark designed to evaluate LLMs' ability to follow real-world multi-constrained instructions by leveraging queries real users asked AI assistants. We also investigate model-based evaluation as a cost-effective alternative to human annotation for this task. Our findings reveal that even the proprietary GPT-4 model fails to meet at least one constraint on over 21% of instructions, highlighting the limitations of state-of-the-art models. To address the performance gap between open-source and proprietary models, we propose the Decompose, Critique and Refine (DeCRIM) self-correction pipeline, which enhances LLMs' ability to follow constraints. DeCRIM works by decomposing the original instruction into a list of constraints and using a Critic model to decide when and where the LLM's response needs refinement. Our results show that DeCRIM improves Mistral's performance by 7.3% on RealInstruct and 8.0% on IFEval even with weak feedback. Moreover, we demonstrate that with strong feedback, open-source LLMs with DeCRIM can outperform GPT-4 on both benchmarks.

AI agents are vulnerable to prompt injection attacks, where malicious content hijacks agent behavior to steal credentials or cause financial loss. The only known robust defense is architectural isolation that strictly separates trusted task planning from untrusted environment observations. However, applying this design to Computer Use Agents (CUAs) -- systems that automate tasks by viewing screens and executing actions -- presents a fundamental challenge: current agents require continuous observation of UI state to determine each action, conflicting with the isolation required for security. We resolve this tension by demonstrating that UI workflows, while dynamic, are structurally predictable. We introduce Single-Shot Planning for CUAs, where a trusted planner generates a complete execution graph with conditional branches before any observation of potentially malicious content, providing provable control flow integrity guarantees against arbitrary instruction injections. Although this architectural isolation successfully prevents instruction injections, we show that additional measures are needed to prevent Branch Steering attacks, which manipulate UI elements to trigger unintended valid paths within the plan. We evaluate our design on OSWorld, and retain up to 57% of the performance of frontier models while improving performance for smaller open-source models by up to 19%, demonstrating that rigorous security and utility can coexist in CUAs.

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

Recent advancements in software engineering agents have demonstrated promising capabilities in automating program improvements. However, their reliance on closed-source or resource-intensive models introduces significant deployment challenges in private environments, prompting a critical question: How can personally deployable open-source LLMs achieve comparable code reasoning performance? To this end, we propose a unified Test-Time Compute scaling framework that leverages increased inference-time computation instead of larger models. Our framework incorporates two complementary strategies: internal TTC and external TTC. Internally, we introduce a development-contextualized trajectory synthesis method leveraging real-world software repositories to bootstrap multi-stage reasoning processes, such as fault localization and patch generation. We further enhance trajectory quality through rejection sampling, rigorously evaluating trajectories along accuracy and complexity. Externally, we propose a novel development-process-based search strategy guided by reward models and execution verification. This approach enables targeted computational allocation at critical development decision points, overcoming limitations of existing "end-point only" verification methods. Evaluations on SWE-bench Verified demonstrate our 32B model achieves a 46\% issue resolution rate, surpassing significantly larger models such as DeepSeek R1 671B and OpenAI o1. Additionally, we provide the empirical validation of the test-time scaling phenomenon within SWE agents, revealing that models dynamically allocate more tokens to increasingly challenging problems, effectively enhancing reasoning capabilities. We publicly release all training data, models, and code to facilitate future research. https://github.com/yingweima2022/SWE-Reasoner

End-to-end GUI agents for real desktop environments require large amounts of high-quality interaction data, yet collecting human demonstrations is expensive and existing synthetic pipelines often suffer from limited task diversity or noisy, goal-drifting trajectories. We present a trajectory expansion framework Anchor that bootstraps scalable desktop supervision from a small set of verified seed demonstrations. Starting from each seed, we identify branch points that correspond to meaningful state changes and propose new, state-grounded task variants conditioned on the current GUI context. An executing agent then follows the proposed instructions to generate new trajectories, while a verifier enforces task completion via state-aware checks and trajectory-level consistency. To improve supervision quality, we further apply task-conditioned step-level filtering to remove ungrounded actions and denoise post-branch segments to maintain coherent intent. Experiments on standard desktop benchmarks, OSWorld and WindowsAgentArena, show that models fine-tuned on our expanded corpus achieve consistent improvements over zero-shot agents and representative synthesis baselines, and generalize across applications and operating systems.

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

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/.

Large Language Models (LLMs) have demonstrated exceptional proficiency in instruction-following, becoming increasingly crucial across various applications. However, this capability brings with it the risk of prompt injection attacks, where attackers inject instructions into LLMs' input to elicit undesirable actions or content. Understanding the robustness of LLMs against such attacks is vital for their safe implementation. In this work, we establish a benchmark to evaluate the robustness of instruction-following LLMs against prompt injection attacks. Our objective is to determine the extent to which LLMs can be influenced by injected instructions and their ability to differentiate between these injected and original target instructions. Through extensive experiments with leading instruction-following LLMs, we uncover significant vulnerabilities in their robustness to such attacks. Our results indicate that some models are overly tuned to follow any embedded instructions in the prompt, overly focusing on the latter parts of the prompt without fully grasping the entire context. By contrast, models with a better grasp of the context and instruction-following capabilities will potentially be more susceptible to compromise by injected instructions. This underscores the need to shift the focus from merely enhancing LLMs' instruction-following capabilities to improving their overall comprehension of prompts and discernment of instructions that are appropriate to follow. We hope our in-depth analysis offers insights into the underlying causes of these vulnerabilities, aiding in the development of future solutions. Code and data are available at https://github.com/Leezekun/instruction-following-robustness-eval

In this paper we present a comparative study of path feasibility queries generated during path exploration based software engineering methods. Symbolic execution based methods are gaining importance in different aspects of software engineering e.g. proving properties about programs, test case generation, comparing different executions of programs. These methods use SMT solvers to check the satisfiability of path feasibility queries written as a formula in the supported theories. We study the performance of solving such path feasibility queries using SMT solvers for real world programs. Our path condition formulas are generated in a theory of quantifier free bit vectors with arrays (QF_ABV). We show that among the different SMT solvers, STP is better than Z3 by an order of magnitude for such kind of queries. As an application we design a new program analysis (Change Value Analysis) based on our study which exploits undefined behaviors in programs. We have implemented our analysis in LLVM and tested it with the benchmark of SIR programs. It reduces the time taken for solving path feasibility queries by 48%. The study can serve as guidance to practitioners using path feasibility queries to create scalable software engineering methods based on symbolic execution.

Tool-calling agents are increasingly deployed in real-world customer-facing workflows. Yet most studies on tool-calling agents focus on idealized settings with general, fixed, and well-specified tasks. In real-world applications, user requests are often (1) ambiguous, (2) changing over time, or (3) infeasible due to policy constraints, and training and evaluation data that cover these diverse, complex interaction patterns remain under-represented. To bridge the gap, we present Trajectory2Task, a verifiable data generation pipeline for studying tool use at scale under three realistic user scenarios: ambiguous intent, changing intent, and infeasible intents. The pipeline first conducts multi-turn exploration to produce valid tool-call trajectories. It then converts these trajectories into user-facing tasks with controlled intent adaptations. This process yields verifiable task that support closed-loop evaluation and training. We benchmark seven state-of-the-art LLMs on the generated complex user scenario tasks and observe frequent failures. Finally, using successful trajectories obtained from task rollouts, we fine-tune lightweight LLMs and find consistent improvements across all three conditions, along with better generalization to unseen tool-use domains, indicating stronger general tool-calling ability.

Large language models (LLMs) have demonstrated impressive capabilities across diverse tasks, yet their ability to perform structured symbolic planning remains limited, particularly in domains requiring formal representations like the Planning Domain Definition Language (PDDL). In this paper, we present a novel instruction tuning framework, PDDL-Instruct, designed to enhance LLMs' symbolic planning capabilities through logical chain-of-thought reasoning. Our approach focuses on teaching models to rigorously reason about action applicability, state transitions, and plan validity using explicit logical inference steps. By developing instruction prompts that guide models through the precise logical reasoning required to determine when actions can be applied in a given state, we enable LLMs to self-correct their planning processes through structured reflection. The framework systematically builds verification skills by decomposing the planning process into explicit reasoning chains about precondition satisfaction, effect application, and invariant preservation. Experimental results on multiple planning domains show that our chain-of-thought reasoning based instruction-tuned models are significantly better at planning, achieving planning accuracy of up to 94% on standard benchmarks, representing a 66% absolute improvement over baseline models. This work bridges the gap between the general reasoning capabilities of LLMs and the logical precision required for automated planning, offering a promising direction for developing better AI planning systems.

Formal verification can provably guarantee the correctness of critical system software, but the high proof burden has long hindered its wide adoption. Recently, Large Language Models (LLMs) have shown success in code analysis and synthesis. In this paper, we present a combination of LLMs and static analysis to synthesize invariants, assertions, and other proof structures for a Rust-based formal verification framework called Verus. In a few-shot setting, LLMs demonstrate impressive logical ability in generating postconditions and loop invariants, especially when analyzing short code snippets. However, LLMs lack the ability to retain and propagate context information, a strength of traditional static analysis. Based on these observations, we developed a prototype based on OpenAI's GPT-4 model. Our prototype decomposes the verification task into multiple smaller ones, iteratively queries GPT-4, and combines its output with lightweight static analysis. We evaluated the prototype with a developer in the automation loop on 20 vector-manipulating programs. The results demonstrate that it significantly reduces human effort in writing entry-level proof code.

Tool-using agents often incur substantial computational cost due to long reasoning chains and iterative tool usage. In practical scenarios, many tasks become infeasible under constrained tool environments, where the capabilities required for successful task completion are unavailable. Detecting infeasible tasks and stopping execution early can significantly reduce unnecessary execution cost. In this work, we propose FeasiGen, an automatic pipeline for constructing infeasible agent tasks by identifying the critical tools required for successful task completion. Our approach extracts tool-calling traces from successful executions across multiple agent systems, identifies critical tools consistently shared across diverse execution strategies, and masks these tools to automatically transform solvable tasks into infeasible ones. Human verification confirms that the infeasibility annotations for our constructed tasks achieve over 94% accuracy. We further introduce feasibility-aware evaluation metrics for measuring whether agents can recognize infeasible tasks and stop execution appropriately. Extensive evaluations across nine models reveal substantially weak infeasibility detection ability, with false continue rate reaching up to 73.9%. We further observe that multi-agent architectures significantly reduce erroneous execution under infeasible conditions.

Intermediate Representations (IRs) play a critical role in compiler design and program analysis, yet their comprehension by Large Language Models (LLMs) remains underexplored. In this paper, we present an explorative empirical study evaluating the capabilities of six state-of-the-art LLMs: GPT-4, GPT-3, DeepSeek, Gemma 2, Llama 3, and Code Llama, in understanding IRs. Specifically, we assess model performance across four core tasks: control flow graph reconstruction, decompilation, code summarization, and execution reasoning. While LLMs exhibit competence in parsing IR syntax and identifying high-level structures, they consistently struggle with instruction-level reasoning, especially in control flow reasoning, loop handling, and dynamic execution. Common failure modes include misinterpreting branching instructions, omitting critical operations, and relying on heuristic reasoning rather than precise instruction-level logic. Our findings highlight the need for IR-specific enhancements in LLM design. We recommend fine-tuning on structured IR datasets and integrating control-flow-sensitive architectures to improve model effectiveness. All experimental data and source code are publicly available at

Agent skills, structured procedural knowledge packages injected at inference time, are increasingly used to augment LLM agents on software engineering tasks. However, their real utility in end-to-end development settings remains unclear. We present SWE-Skills-Bench, the first requirement-driven benchmark that isolates the marginal utility of agent skills in real-world software engineering (SWE). It pairs 49 public SWE skills with authentic GitHub repositories pinned at fixed commits and requirement documents with explicit acceptance criteria, yielding approximately 565 task instances across six SWE subdomains. We introduce a deterministic verification framework that maps each task's acceptance criteria to execution-based tests, enabling controlled paired evaluation with and without the skill. Our results show that skill injection benefits are far more limited than rapid adoption suggests: 39 of 49 skills yield zero pass-rate improvement, and the average gain is only +1.2%. Token overhead varies from modest savings to a 451% increase while pass rates remain unchanged. Only seven specialized skills produce meaningful gains (up to +30%), while three degrade performance (up to -10%) due to version-mismatched guidance conflicting with project context. These findings suggest that agent skills are a narrow intervention whose utility depends strongly on domain fit, abstraction level, and contextual compatibility. SWE-Skills-Bench provides a testbed for evaluating the design, selection, and deployment of skills in software engineering agents. SWE-Skills-Bench is available at https://github.com/GeniusHTX/SWE-Skills-Bench.

Steering the behavior of Large Language Models (LLMs) remains a challenge, particularly in engineering applications where precision and reliability are critical. While fine-tuning and prompting methods can modify model behavior, they lack the dynamic and exact control necessary for engineering applications. Inference-time intervention techniques provide a promising alternative, allowing targeted adjustments to LLM outputs. In this work, we demonstrate how interventions enable fine-grained control for automating the usually time-intensive requirement verification process in Model-Based Systems Engineering (MBSE). Using two early-stage Capella SysML models of space missions with associated requirements, we apply the intervened LLMs to reason over a graph representation of the model to determine whether a requirement is fulfilled. Our method achieves robust and reliable outputs, significantly improving over both a baseline model and a fine-tuning approach. By identifying and modifying as few as one to three specialised attention heads, we can significantly change the model's behavior. When combined with self-consistency, this allows us to achieve perfect precision on our holdout test set.

Code verifiers play a critical role in post-verification for LLM-based code generation, yet existing supervised fine-tuning methods suffer from data scarcity, high failure rates, and poor inference efficiency. While reinforcement learning (RL) offers a promising alternative by optimizing models through execution-driven rewards without labeled supervision, our preliminary results show that naive RL with only functionality rewards fails to generate effective unit tests for difficult branches and samples. We first theoretically analyze showing that branch coverage, sample difficulty, syntactic and functional correctness can be jointly modeled as RL rewards, where optimizing these signals can improve the reliability of unit-test-based verification. Guided by this analysis, we design syntax- and functionality-aware rewards and further propose branch- and sample-difficulty--aware RL using exponential reward shaping and static analysis metrics. With this formulation, CVeDRL achieves state-of-the-art performance with only 0.6B parameters, yielding up to 28.97% higher pass rate and 15.08% higher branch coverage than GPT-3.5, while delivering over 20times faster inference than competitive baselines. Code is available at https://github.com/LIGHTCHASER1/CVeDRL.git

AI coding agents such as Claude Code and Gemini CLI increasingly extend themselves with third-party skills: markdown packages bundling natural-language instructions, executable scripts, and tool permissions. Because a skill is at once code and agent-facing instruction, it introduces a supply chain dependency whose risk is neither pure code nor pure prompt. Detection tools have never been measured against verified ground truth spanning this hybrid space, leaving their effectiveness unknown and wild-only evaluations biased. We present MalSkillBench, the first runtime-verified benchmark of malicious agent skills: 3,944 malicious skills labeled along a three-dimensional taxonomy of 108 cells. Of these, 3,214 come from a closed-loop Generate-Verify-Feedback pipeline admitting only samples whose malicious behavior fires inside a Docker sandbox under system-call monitoring and an LLM judge; we add 703 in-the-wild and 4,000 matched benign skills. Our measurements are consistent: code injection reaches 94.5% verification yield but prompt injection only 75.8%, the same fragility that later makes it hard to detect; the wild sample is narrow, dominated by one cryptocurrency-theft campaign (86.6% one behavior, 81% from two accounts) with a small but architecturally new tail attacking the agent control plane; the strongest skill-specific detector reaches 98.4% recall on code injection yet collapses on prompt-injection and agent-control attacks, and wild-only scoring swings the ranking by up to 66 recall points; supply-chain scanners and prompt-injection defenses each see only half of a skill, and no combination recovers the code-instruction relationship. Detecting malicious skills therefore requires reasoning jointly over task intent, code, and instructions. We release the dataset, pipeline, baselines, and results.

While Large Language Models (LLMs) excel at code generation by learning from vast code corpora, a fundamental semantic gap remains between their training on textual patterns and the goal of functional correctness, which is governed by formal execution semantics. Reinforcement Learning with Verifiable Rewards (RLVR) approaches attempt to bridge this gap using outcome rewards from executing test cases. However, solely relying on binary pass/fail signals is inefficient for establishing a well-aligned connection between the textual representation of code and its execution semantics, especially for subtle logical errors within the code. In this paper, we propose CodeRL+, a novel approach that integrates execution semantics alignment into the RLVR training pipeline for code generation. CodeRL+ enables the model to infer variable-level execution trajectory, providing a direct learning signal of execution semantics. CodeRL+ can construct execution semantics alignment directly using existing on-policy rollouts and integrates seamlessly with various RL algorithms. Extensive experiments demonstrate that CodeRL+ outperforms post-training baselines (including RLVR and Distillation), achieving a 4.6% average relative improvement in pass@1. CodeRL+ generalizes effectively to other coding tasks, yielding 15.5% and 4.4% higher accuracy on code-reasoning and test-output-generation benchmarks, respectively. CodeRL+ shows strong applicability across diverse RL algorithms and LLMs. Furthermore, probe analyses provide compelling evidence that CodeRL+ strengthens the alignment between code's textual representations and its underlying execution semantics.

Despite rapid progress in LLM agents, performance on long-horizon, tool-using tasks remains fragile. To better understand this fragility, we ask a simple question: do all actions contribute equally to failure? Analyzing execution traces on τ-Bench (Airline/Retail) and SWE-Bench Verified, we decompose trajectories into mutating (environment-changing) vs.\ non-mutating steps and formalize decisive deviations, earliest action, level divergences that flip success to failure. A logistic regression reveals that each additional deviation in a mutating action reduces the odds of success by upto 92% on Airline and upto 96% on Retail for SoTA models. In contrast, deviations in non-mutating actions have little to no effect. Errors also grow with context length as agents drift from role and act on stale constraints. Motivated by these observations, we introduce , a model-agnostic, gradient-free, test-time safeguard that (i) adds mutation-gated verification, (ii) injects Targeted Reflection before mutating steps, and (iii) performs block-based context cleaning. delivers consistent gains, e.g., Qwen3-Thinking: +28\% relative on Airline, +11\% on Retail, and +7\% on SWE-Bench Verified; Claude: +9\%/+7\%. We further identify ceiling effects in τ-Bench, where annotation errors and underspecified tasks artificially cap model performance. To address this, we release τ-Bench Verified, which restores benchmark headroom through targeted revisions. Our results argue for action-level analysis, targeted safeguards, and reliable evaluations as prerequisites for robust multi-turn agents.

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

Instruction tuning is an effective technique to align large language models (LLMs) with human intents. In this work, we investigate how an adversary can exploit instruction tuning by injecting specific instruction-following examples into the training data that intentionally changes the model's behavior. For example, an adversary can achieve content injection by injecting training examples that mention target content and eliciting such behavior from downstream models. To achieve this goal, we propose AutoPoison, an automated data poisoning pipeline. It naturally and coherently incorporates versatile attack goals into poisoned data with the help of an oracle LLM. We showcase two example attacks: content injection and over-refusal attacks, each aiming to induce a specific exploitable behavior. We quantify and benchmark the strength and the stealthiness of our data poisoning scheme. Our results show that AutoPoison allows an adversary to change a model's behavior by poisoning only a small fraction of data while maintaining a high level of stealthiness in the poisoned examples. We hope our work sheds light on how data quality affects the behavior of instruction-tuned models and raises awareness of the importance of data quality for responsible deployments of LLMs. Code is available at https://github.com/azshue/AutoPoison.

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.

With the advancement of multimodal large language models (MLLMs) and coding agents, the website development has shifted from manual programming to agent-based project-level code synthesis. Existing benchmarks rely on idealized assumptions, especially for well-structured, information-rich inputs and static execution settings. In contrast, real-world development is constrained by a critical bottleneck: the semantic misalignment between ambiguous, low-quality instructions from non-expert users and model understanding, which results in a failure mode that we term blind execution. To address this gap, we introduce InteractWeb-Bench, the first multimodal interactive benchmark for website generation under non-expert low-code user conditions. InteractWeb-Bench introduces four types of user agents and persona-driven instruction perturbations to systematically simulate diverse user behaviors, including ambiguity, redundancy, and contradiction, grounded in requirement engineering defect taxonomies. We develop an interactive execution environment for agents, featuring a unified action space comprising Clarify, Implement, Verify, and Submit, enabling iterative intent refinement, code synthesis, and visual feedback-based validation. Extensive experiments and analysis reveal that frontier MLLM-based agents remain trapped in blind execution, exposing limitations in intent recognition and adaptive interaction.

Following multiple instructions is a crucial ability for large language models (LLMs). Evaluating this ability comes with significant challenges: (i) limited coherence between multiple instructions, (ii) positional bias where the order of instructions affects model performance, and (iii) a lack of objectively verifiable tasks. To address these issues, we introduce a benchmark designed to evaluate models' abilities to follow multiple instructions through sequential instruction following (SIFo) tasks. In SIFo, the successful completion of multiple instructions is verifiable by examining only the final instruction. Our benchmark evaluates instruction following using four tasks (text modification, question answering, mathematics, and security rule following), each assessing different aspects of sequential instruction following. Our evaluation of popular LLMs, both closed-source and open-source, shows that more recent and larger models significantly outperform their older and smaller counterparts on the SIFo tasks, validating the benchmark's effectiveness. All models struggle with following sequences of instructions, hinting at an important lack of robustness of today's language models.

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

Tool-calling benchmarks are increasingly used to rank language-model agents, yet their scores are often treated as ground truth without validating the evaluators themselves. We present a systematic validity and reproducibility audit of four major tool-calling benchmark families: BFCL v4, τ2-Bench, LiveMCPBench, and MCP-Atlas. Across 496 expert-reviewed benchmark tasks, we find 92 evaluator-human disagreements, corresponding to an 18.5% misalignment rate. The failures are not isolated annotation mistakes: deterministic benchmarks exhibit brittle state matching, trajectory lock-in, incorrect ground truths, substring-based communication failures, and reward-basis misalignment, while LLM-judge benchmarks exhibit rubric drift, hallucinated completion, answer-only scoring, and substantial run-to-run variance. In LiveMCPBench, 23 repeated evaluations of the same setup produce scores ranging from 57.9% to 76.8%, a spread of 18.9 percentage points, large enough to change leaderboard conclusions. These results show that current tool-calling scores can reflect evaluator artifacts rather than agent capability. We introduce a unified taxonomy of tool-calling evaluation failures, release trace-level audit artifacts and corrected evaluation components, and argue for decomposed metrics that separately measure tool invocation, task completion, and outcome verification. Our findings suggest that progress in tool-using agents requires benchmarks whose evaluators are themselves reproducible, auditable, and aligned with human judgments of task success. We further introduce Tool-Veritas, a configurable benchmark that combines deterministic state verification with optional qualitative judging, and Harness Lab, an open-source system for benchmark execution, trace inspection, repeated-run comparison, and evaluator debugging.

Large Language Models (LLMs) have achieved significant advances in reasoning tasks. A key approach is tree-based search with verifiers, which expand candidate reasoning paths and use reward models to guide pruning and selection. Although effective in improving accuracy, these methods are not optimal in terms of efficiency: they perform simple decomposition on the reasoning process, but ignore the planning-execution nature of tasks such as math reasoning or code generation. This results in inefficient exploration of reasoning process. To address this, we propose a dual-phase test-time scaling framework that explicitly separates reasoning into planning and execution, and performs search over the two phases individually. Specifically, we decompose reasoning trajectories and develop reward models for each phase, enabling the search to explore and prune plans and executions separately. We further introduce a dynamic budget allocation mechanism that adaptively redistributes sampling effort based on reward feedback, allowing early stopping on confident steps and reallocation of computation to more challenging parts of the reasoning process. Experiments on both mathematical reasoning and code generation benchmarks demonstrate that our approach consistently improves accuracy while reducing redundant computation.

Instruction-following has emerged as a crucial capability for large language models (LLMs). However, existing approaches often rely on pre-existing documents or external resources to synthesize instruction-following data, which limits their flexibility and generalizability. In this paper, we introduce DecIF, a fully autonomous, meta-decomposition guided framework that generates diverse and high-quality instruction-following data using only LLMs. DecIF is grounded in the principle of decomposition. For instruction generation, we guide LLMs to iteratively produce various types of meta-information, which are then combined with response constraints to form well-structured and semantically rich instructions. We further utilize LLMs to detect and resolve potential inconsistencies within the generated instructions. Regarding response generation, we decompose each instruction into atomic-level evaluation criteria, enabling rigorous validation and the elimination of inaccurate instruction-response pairs. Extensive experiments across a wide range of scenarios and settings demonstrate DecIF's superior performance on instruction-following tasks. Further analysis highlights its strong flexibility, scalability, and generalizability in automatically synthesizing high-quality instruction data.

Retriever-augmented instruction-following models are attractive alternatives to fine-tuned approaches for information-seeking tasks such as question answering (QA). By simply prepending retrieved documents in its input along with an instruction, these models can be adapted to various information domains and tasks without additional fine-tuning. While the model responses tend to be natural and fluent, the additional verbosity makes traditional QA evaluation metrics such as exact match (EM) and F1 unreliable for accurately quantifying model performance. In this work, we investigate the performance of instruction-following models across three information-seeking QA tasks. We use both automatic and human evaluation to evaluate these models along two dimensions: 1) how well they satisfy the user's information need (correctness), and 2) whether they produce a response based on the provided knowledge (faithfulness). Guided by human evaluation and analysis, we highlight the shortcomings of traditional metrics for both correctness and faithfulness. We then propose simple token-overlap based and model-based metrics that reflect the true performance of these models. Our analysis reveals that instruction-following models are competitive, and sometimes even outperform fine-tuned models for correctness. However, these models struggle to stick to the provided knowledge and often hallucinate in their responses. We hope our work encourages a more holistic evaluation of instruction-following models for QA. Our code and data is available at https://github.com/McGill-NLP/instruct-qa

Agentic AI systems act through tools and evolve their behavior over long, stochastic interaction traces. This setting complicates assurance, because behavior depends on nondeterministic environments and probabilistic model outputs. Prior work introduced runtime verification for agentic AI via Dynamic Probabilistic Assurance (DPA), learning an MDP online and model checking quantitative properties. A key limitation is that developers must manually define the state abstraction, which couples verification to application-specific heuristics and increases adoption friction. This paper proposes TriCEGAR, a trace-driven abstraction mechanism that automates state construction from execution logs and supports online construction of an agent behavioral MDP. TriCEGAR represents abstractions as predicate trees learned from traces and refined using counterexamples. We describe a framework-native implementation that (i) captures typed agent lifecycle events, (ii) builds abstractions from traces, (iii) constructs an MDP, and (iv) performs probabilistic model checking to compute bounds such as Pmax(success) and Pmin(failure). We also show how run likelihoods enable anomaly detection as a guardrailing signal.

While LLM-based agents can interact with environments via invoking external tools, their expanded capabilities also amplify security risks. Monitoring step-level tool invocation behaviors in real time and proactively intervening before unsafe execution is critical for agent deployment, yet remains under-explored. In this work, we first construct TS-Bench, a novel benchmark for step-level tool invocation safety detection in LLM agents. We then develop a guardrail model, TS-Guard, using multi-task reinforcement learning. The model proactively detects unsafe tool invocation actions before execution by reasoning over the interaction history. It assesses request harmfulness and action-attack correlations, producing interpretable and generalizable safety judgments and feedback. Furthermore, we introduce TS-Flow, a guardrail-feedback-driven reasoning framework for LLM agents, which reduces harmful tool invocations of ReAct-style agents by 65 percent on average and improves benign task completion by approximately 10 percent under prompt injection attacks.

Legal reasoning requires not only correct outcomes but also procedurally compliant reasoning processes. However, existing methods lack mechanisms to verify intermediate reasoning steps, allowing errors such as inapplicable statute citations to propagate undetected through the reasoning chain. To address this, we propose LawThinker, an autonomous legal research agent that adopts an Explore-Verify-Memorize strategy for dynamic judicial environments. The core idea is to enforce verification as an atomic operation after every knowledge exploration step. A DeepVerifier module examines each retrieval result along three dimensions of knowledge accuracy, fact-law relevance, and procedural compliance, with a memory module for cross-round knowledge reuse in long-horizon tasks. Experiments on the dynamic benchmark J1-EVAL show that LawThinker achieves a 24% improvement over direct reasoning and an 11% gain over workflow-based methods, with particularly strong improvements on process-oriented metrics. Evaluations on three static benchmarks further confirm its generalization capability. The code is available at https://github.com/yxy-919/LawThinker-agent .

Agent skills extend LLM agents with reusable procedures, tools, and domain-specific workflows, but their safety depends on resolving dependencies among interacting instructions. We introduce SkillLogic, a framework for analyzing logical relations in skill files and constructing executable tests from them. Our taxonomy covers eight relation types, including preconditions that gate valid actions, constraints that limit how allowed actions may be performed, and fallbacks that specify recovery behavior after failure. Using SkillLogic, we scan over 5000 public skills and find that 70% contain at least one logical relation. We then construct SLBench, an 86-case executable benchmark from high-confidence, high-impact, and locally testable relations. Evaluating Codex and Claude Code across six LLM backbones shows unsafe rates up to 70%, with violations leading to privacy leaks, unsafe configuration changes, and incomplete cleanup. The human audit attributes failures to both agent capability gaps and low-salience skill text. We further show that SLGuard, a lightweight inference-time scaffold, reduces violations by 63% on targeted cases. Our results establish logical-relation following as a distinct reliability challenge for skill-guided agents.

Automated formal verification remains challenging for large language models because data for proof assistants and verification-aware languages is scarce, and correctness depends on satisfying precise machine-checkable specifications rather than producing plausible code. This thesis studies how verifier environments can improve LLM generation of verified programs and proofs through reinforcement learning from verifiable rewards (RLVR) and verifier-guided inference-time search. First, we train open-source models in Dafny with RLVR using Group Relative Policy Optimization (GRPO) and related variants, assembling generated candidates into complete programs and scoring them with compiler and verifier outcomes. Initial experiments on an APPS-derived Dafny dataset increased verified reward from 2.2% to 58.1%, but revealed specification hacking, where models exploit weak formal specifications instead of implementing the intended solutions. After filtering underspecified and vulnerable tasks, multi-turn RLVR on the refined benchmark improves the verified pass rate from 9.7% to 31.1%. Second, we develop a verifier-guided inference scaffold in Lean that treats proof generation as structured search over decomposed subgoals, verifier feedback, diagnostics, and repair. With a fixed base model, the full scaffold with proof reviser improves pass rate on an initial VeriCoding pilot set from 46.2% under direct repair to 69.2%. On the larger VERINA dataset, whole-task decomposition plus proof reviser solves 7 of 42 previously unsolved tasks. We also introduce Dalek-Bench, a repository-scale Lean benchmark derived from the Rust curve25519-dalek verification project; preliminary results remain weak, indicating that stronger progress evaluation and task-specific tool-use policies are still needed.

While large language models (LLMs) have exhibited impressive instruction-following capabilities, it is still unclear whether and to what extent they can respond to explicit constraints that might be entailed in various instructions. As a significant aspect of LLM alignment, it is thus important to formulate such a specialized set of instructions as well as investigate the resulting behavior of LLMs. To address this vacancy, we propose a new benchmark CoDI-Eval to systematically and comprehensively evaluate LLMs' responses to instructions with various constraints. We construct a large collection of constraints-attributed instructions as a test suite focused on both generalization and coverage. Specifically, we advocate an instruction diversification process to synthesize diverse forms of constraint expression and also deliberate the candidate task taxonomy with even finer-grained sub-categories. Finally, we automate the entire evaluation process to facilitate further developments. Different from existing studies on controllable text generation, CoDI-Eval extends the scope to the prevalent instruction-following paradigm for the first time. We provide extensive evaluations of representative LLMs (e.g., ChatGPT, Vicuna) on CoDI-Eval, revealing their limitations in following instructions with specific constraints and there is still a significant gap between open-source and commercial closed-source LLMs. We believe this benchmark will facilitate research into improving the controllability of LLMs' responses to instructions. Our data and code are available at https://github.com/Xt-cyh/CoDI-Eval.

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.

Instruction tuning in low-resource languages remains underexplored due to limited text data, particularly in government and cultural domains. To address this, we introduce and open-source a large-scale (10,600 samples) instruction-following (IFT) dataset, covering key institutional and cultural knowledge relevant to Kazakhstan. Our dataset enhances LLMs' understanding of procedural, legal, and structural governance topics. We employ LLM-assisted data generation, comparing open-weight and closed-weight models for dataset construction, and select GPT-4o as the backbone. Each entity of our dataset undergoes full manual verification to ensure high quality. We also show that fine-tuning Qwen, Falcon, and Gemma on our dataset leads to consistent performance improvements in both multiple-choice and generative tasks, demonstrating the potential of LLM-assisted instruction tuning for low-resource languages.

Large language Models (LLMs) have shown remarkable proficiency in code generation tasks across various programming languages. However, their outputs often contain subtle but critical vulnerabilities, posing significant risks when deployed in security-sensitive or mission-critical systems. This paper introduces TypePilot, an agentic AI framework designed to enhance the security and robustness of LLM-generated code by leveraging strongly typed and verifiable languages, using Scala as a representative example. We evaluate the effectiveness of our approach in two settings: formal verification with the Stainless framework and general-purpose secure code generation. Our experiments with leading open-source LLMs reveal that while direct code generation often fails to enforce safety constraints, just as naive prompting for more secure code, our type-focused agentic pipeline substantially mitigates input validation and injection vulnerabilities. The results demonstrate the potential of structured, type-guided LLM workflows to improve the SotA of the trustworthiness of automated code generation in high-assurance domains.

Synthesizing inductive loop invariants is fundamental to automating program verification. In this work, we observe that Large Language Models (such as gpt-3.5 or gpt-4) are capable of synthesizing loop invariants for a class of programs in a 0-shot setting, yet require several samples to generate the correct invariants. This can lead to a large number of calls to a program verifier to establish an invariant. To address this issue, we propose a {\it re-ranking} approach for the generated results of LLMs. We have designed a ranker that can distinguish between correct inductive invariants and incorrect attempts based on the problem definition. The ranker is optimized as a contrastive ranker. Experimental results demonstrate that this re-ranking mechanism significantly improves the ranking of correct invariants among the generated candidates, leading to a notable reduction in the number of calls to a verifier.

We propose CoT-Self-Instruct, a synthetic data generation method that instructs LLMs to first reason and plan via Chain-of-Thought (CoT) based on the given seed tasks, and then to generate a new synthetic prompt of similar quality and complexity for use in LLM training, followed by filtering for high-quality data with automatic metrics. In verifiable reasoning, our synthetic data significantly outperforms existing training datasets, such as s1k and OpenMathReasoning, across MATH500, AMC23, AIME24 and GPQA-Diamond. For non-verifiable instruction-following tasks, our method surpasses the performance of human or standard self-instruct prompts on both AlpacaEval 2.0 and Arena-Hard.

Formal specification is essential for rigorous program verification, yet writing correct specifications remains costly and difficult to automate. Although large language models (LLMs) and agents have shown promising progress, their true capabilities and failure modes remain unclear. We present the first systematic and contamination-aware study of LLM- and agent-based formal specification generation for C programs. We introduce LiveFMBench, a continuously evolving benchmark of 630 ACSL (ANSI/ISO C Specification Language)-annotated C programs, including 360 newly collected cases designed to mitigate data leakage. Using this benchmark, we evaluate direct prompting with different sampling sizes, reasoning-enabled (thinking mode) inference, the agentic pipeline, and perform a fine-grained failure analysis. Experimental results reveal that naive evaluation substantially overestimates performance because models under direct prompting may exhibit unfaithful behaviors, such as deceiving automated provers or ignoring code-context constraints; after excluding such cases, the true specification generation accuracy drops by approximately 20\%. We further find that both increased sampling and thinking mode significantly improve success rates, with smaller models benefiting more from thinking mode. Agentic pipelines are particularly effective under low sampling budgets and on harder datasets. Failure analysis further shows that incorrect loop invariants are the dominant error type, while agentic pipelines notably reduce assertion errors. These results expose fundamental limitations in current LLM-based approaches and suggest they remain far from replacing human-authored formal specifications. We release LiveFMBench at https://huggingface.co/datasets/fm-universe/Live-FM-Bench and all evaluation artifacts to support future research.

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

Recent advancements in large language models (LLMs) suggest great promises in code and proof generations. However, scaling automated formal verification to real-world projects requires resolving cross-module dependencies and global contexts, which are crucial challenges overlooked by existing LLM-based methods with a special focus on targeting isolated, function-level verification tasks. To systematically explore and address the significant challenges of verifying entire software repositories, we introduce RVBench, the first verification benchmark explicitly designed for repository-level evaluation, constructed from four diverse and complex open-source Verus projects. We further introduce RagVerus, an extensible framework that synergizes retrieval-augmented generation with context-aware prompting to automate proof synthesis for multi-module repositories. RagVerus triples proof pass rates on existing benchmarks under constrained model inference budgets, and achieves a 27% relative improvement on the more challenging RVBench benchmark, demonstrating a scalable and sample-efficient verification solution.

Many inference-time language-model pipelines combine a cheap reward signal with an expensive verifier, such as exact answer checking in mathematical reasoning or hidden-test execution in code generation. We formalize this setting using a learning-theoretic lens as generative active search: a cost-sensitive first-positive search problem in which a policy adaptively samples candidates from an unknown distribution, observes cheap scores, and pays for verifier labels until it finds a positive example. For a fixed prompt, the generator and reward model induce two unknown objects: a distribution over reward scores and a score-conditioned success function. When these quantities are known, we characterize the distribution-aware optimal policy using a dynamic programming approach. In the realistic and practical setting where both the score distribution and success function are unknown, we propose ADAP, a shellwise adaptive generate-rank-verify algorithm that progressively increases the number of sampled responses and top-ranked verifications. Under the monotonicity assumption that higher reward scores are no less likely to pass verification, we show that ADAP achieves expected cost within a constant factor of the distribution-aware optimum. We complement this result with learning-theoretic lower bounds, based on a centered star number, showing that structural assumptions on the score--label relationship are necessary. Experiments on mathematical reasoning and competitive programming validate the predicted advantage over both fixed non-adaptive policies and difficulty-adaptive baselines.

We introduce QualityFlow, a dynamic agentic workflow for program synthesis. Given the English description of a programming problem and a set of unit tests, the model's goal is to synthesize the correct program that solves the problem and passes the tests. QualityFlow includes large language model (LLM) agents resembling a software development team, including code generation, testing, and self-debugging. We propose the LLM Quality Checker, which explicitly "imagines" whether the synthesized programs' execution would conform to the unit tests. The Quality Checks dynamically control the workflow, including actions to submit the final answer, clarify the problem statement, and revert previous workflow steps. Our experiments show that the Quality Checker can precisely accept any correct program, mitigate faulty synthesized tests, and prevent potential workflow deviation. QualityFlow establishes the state-of-the-art results on four program synthesis benchmarks: MBPP, HumanEval, and stricter evaluations from MBPP-EvalPlus and HumanEval-EvalPlus.

Autonomous machine learning agents have revolutionized scientific discovery, yet they remain constrained by a Generate-Execute-Feedback paradigm. Previous approaches suffer from a severe Execution Bottleneck, as hypothesis evaluation relies strictly on expensive physical execution. To bypass these physical constraints, we internalize execution priors to substitute costly runtime checks with instantaneous predictive reasoning, drawing inspiration from World Models. In this work, we formalize the task of Data-centric Solution Preference and construct a comprehensive corpus of 18,438 pairwise comparisons. We demonstrate that LLMs exhibit significant predictive capabilities when primed with a Verified Data Analysis Report, achieving 61.5% accuracy and robust confidence calibration. Finally, we instantiate this framework in FOREAGENT, an agent that employs a Predict-then-Verify loop, achieving a 6x acceleration in convergence while surpassing execution-based baselines by +6%. Our code and dataset will be publicly available soon at https://github.com/zjunlp/predict-before-execute.

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.

Large Language Models (LLMs) have shown remarkable capabilities in solving various programming tasks, such as code generation. However, their potential for code optimization, particularly in performance enhancement, remains largely unexplored. This paper investigates the capabilities of LLMs in optimizing code for minimal execution time, addressing a critical gap in current research. The recently proposed code optimization methods construct program optimization pairs based on iterative submissions from the same programmer for the same problem. However, this approach confines LLMs to local performance improvements, neglecting global algorithmic innovation. To overcome this limitation, we adopt a completely different perspective by reconstructing the optimization pairs into a problem-oriented approach. This allows for the integration of various ideas from multiple programmers tackling the same problem. Furthermore, we observe that code optimization presents greater challenges compared to code generation, often accompanied by "optimization tax". Recognizing the inherent trade-offs in correctness and efficiency, we introduce a novel anchor verification framework to mitigate this "optimization tax". Ultimately, the problem oriented perspective combined with the anchor verification framework significantly enhances both the correct optimization ratio and speedup to new levels.

Automated code generation with large language models has gained significant traction, but there remains no guarantee on the correctness of generated code. We aim to use formal verification to provide mathematical guarantees that the generated code is correct. However, generating formally verified code with LLMs is hindered by the scarcity of training data and the complexity of formal proofs. To tackle this challenge, we introduce AlphaVerus, a self-improving framework that bootstraps formally verified code generation by iteratively translating programs from a higher-resource language and leveraging feedback from a verifier. AlphaVerus operates in three phases: exploration of candidate translations, Treefinement -- a novel tree search algorithm for program refinement using verifier feedback, and filtering misaligned specifications and programs to prevent reward hacking. Through this iterative process, AlphaVerus enables a LLaMA-3.1-70B model to generate verified code without human intervention or model finetuning. AlphaVerus shows an ability to generate formally verified solutions for HumanEval and MBPP, laying the groundwork for truly trustworthy code-generation agents.

Automatically generating formal specifications could reduce the effort needed to improve program correctness, but in practice, this is still challenging. Many developers avoid writing contracts by hand, which limits the use of automated verification tools. Recent large language models (LLMs) can generate specifications from code, but these specifications often fail in terms of verification. The reason is syntax errors, overly strict constraints, or mismatches with program behavior. We present SpecPylot, a Python tool that synthesizes executable specifications for Python programs as icontract annotations and checks them using crosshair's symbolic execution. The tool relies on LLMs to propose candidate contracts and uses crosshair to validate them. When crosshair finds a concrete counterexample, SpecPylot updates only the generated contracts and leaves the program itself untouched. In addition, the tool can produce coverage-driven pytest stubs and keep detailed execution artifacts that are useful during debugging. Overall, the evaluation indicates that SpecPylot is able to generate crosshair-compatible contracts for most programs, but it also highlights the practical limits introduced by bounded symbolic exploration and differences in LLM behavior.

Locating the files and functions requiring modification in large open-source software (OSS) repositories is challenging due to their scale and structural complexity. Existing large language model (LLM)-based methods typically treat this as a repository-level retrieval task and rely on multiple auxiliary tools, which overlook code execution logic and complicate model control. We propose RepoNavigator, an LLM agent equipped with a single execution-aware tool-jumping to the definition of an invoked symbol. This unified design reflects the actual flow of code execution while simplifying tool manipulation. RepoNavigator is trained end-to-end via Reinforcement Learning (RL) directly from a pretrained model, without any closed-source distillation. Experiments demonstrate that RL-trained RepoNavigator achieves state-of-the-art performance, with the 7B model outperforming 14B baselines, the 14B model surpassing 32B competitors, and even the 32B model exceeding closed-source models such as Claude-3.7. These results confirm that integrating a single, structurally grounded tool with RL training provides an efficient and scalable solution for repository-level issue localization.

An autonomous AI ecosystem (SUBSTRATE S3), generating product specifications without explicit instructions about formal methods, independently proposed the use of Z3 SMT solver across six distinct domains of AI safety: verification of LLM-generated code, tool API safety for AI agents, post-distillation reasoning correctness, CLI command validation, hardware assembly verification, and smart contract safety. These convergent discoveries, occurring across 8 products over 13 days with Jaccard similarity below 15% between variants, suggest that formal verification is not merely a useful technique for AI safety but an emergent property of any sufficiently complex system reasoning about its own safety. We propose a unified framework (substrate-guard) that applies Z3-based verification across all six output classes through a common API, and evaluate it on 181 test cases across five implemented domains, achieving 100% classification accuracy with zero false positives and zero false negatives. Our framework detected real bugs that empirical testing would miss, including an INT_MIN overflow in branchless RISC-V assembly and mathematically proved that unconstrained string parameters in tool APIs are formally unverifiable.

The performance of autonomous Web GUI agents heavily relies on the quality and quantity of their training data. However, a fundamental bottleneck persists: collecting interaction trajectories from real-world websites is expensive and difficult to verify. The underlying state transitions are hidden, leading to reliance on inconsistent and costly external verifiers to evaluate step-level correctness. To address this, we propose AutoWebWorld, a novel framework for synthesizing controllable and verifiable web environments by modeling them as Finite State Machines (FSMs) and use coding agents to translate FSMs into interactive websites. Unlike real websites, where state transitions are implicit, AutoWebWorld explicitly defines all states, actions, and transition rules. This enables programmatic verification: action correctness is checked against predefined rules, and task success is confirmed by reaching a goal state in the FSM graph. AutoWebWorld enables a fully automated search-and-verify pipeline, generating over 11,663 verified trajectories from 29 diverse web environments at only $0.04 per trajectory. Training on this synthetic data significantly boosts real-world performance. Our 7B Web GUI agent outperforms all baselines within 15 steps on WebVoyager. Furthermore, we observe a clear scaling law: as the synthetic data volume increases, performance on WebVoyager and Online-Mind2Web consistently improves.

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

In recent months, Language Models (LMs) have become a part of daily discourse, with focus on OpenAI and the potential of Artificial General Intelligence (AGI). Furthermore, the leaking of LLama's weights to the public has led to an influx of innovations demonstrating the impressive capabilities of generative LMs. While we believe that AGI is still a distant goal, we recognize the potential of LMs in solving tasks such as searching complex documents, compiling reports with basic analysis, and providing assistance in problem-solving. In this paper, we propose formalizing the execution model of language models. We investigate current execution models, to find that this formalism has received little attention, and present our contribution: the first formalized execution model for LMs. We introduce a new algorithm for sampling the predictions of LMs, which we use to build a reliable and inspectable execution model. We introduce a low-level language to write "cognitive program" for this execution model. We hope to shed light on the need for execution models for LMs and encourage further research in this area.

AI agents are increasingly being deployed to automate tasks, often based on underspecified user instructions. Making unwarranted assumptions to compensate for the missing information and failing to ask clarifying questions can lead to suboptimal outcomes, safety risks due to tool misuse, and wasted computational resources. In this work, we study the ability of LLM agents to handle underspecified instructions in interactive code generation settings by evaluating proprietary and open-weight models on their performance across three key steps: (a) detecting underspecificity, (b) asking targeted clarification questions, and (c) leveraging the interaction to improve performance in underspecified scenarios. We introduce Ambig-SWE, an underspecified variant of SWE-Bench Verified, specifically designed to evaluate agent behavior under ambiguity and interaction. Our findings reveal that models struggle to distinguish between well-specified and underspecified instructions. However, when models interact for underspecified inputs, they effectively obtain vital information from the user leading to significant improvements in performance, up to 74% over the non-interactive settings, underscoring the value of effective interaction. Our study highlights critical gaps in how current state-of-the-art models handle missing information in complex software engineering tasks and structures the evaluation into distinct steps to enable targeted improvements.

Dataflow analysis is a fundamental code analysis technique that identifies dependencies between program values. Traditional approaches typically necessitate successful compilation and expert customization, hindering their applicability and usability for analyzing uncompilable programs with evolving analysis needs in real-world scenarios. This paper presents LLMDFA, an LLM-powered compilation-free and customizable dataflow analysis framework. To address hallucinations for reliable results, we decompose the problem into several subtasks and introduce a series of novel strategies. Specifically, we leverage LLMs to synthesize code that outsources delicate reasoning to external expert tools, such as using a parsing library to extract program values of interest and invoking an automated theorem prover to validate path feasibility. Additionally, we adopt a few-shot chain-of-thought prompting to summarize dataflow facts in individual functions, aligning the LLMs with the program semantics of small code snippets to mitigate hallucinations. We evaluate LLMDFA on synthetic programs to detect three representative types of bugs and on real-world Android applications for customized bug detection. On average, LLMDFA achieves 87.10% precision and 80.77% recall, surpassing existing techniques with F1 score improvements of up to 0.35. We have open-sourced LLMDFA at https://github.com/chengpeng-wang/LLMDFA.

Large language models demonstrate remarkable reasoning capabilities but often produce unreliable or incorrect responses. Existing verification methods are typically model-specific or domain-restricted, requiring significant computational resources and lacking scalability across diverse reasoning tasks. To address these limitations, we propose VerifiAgent, a unified verification agent that integrates two levels of verification: meta-verification, which assesses completeness and consistency in model responses, and tool-based adaptive verification, where VerifiAgent autonomously selects appropriate verification tools based on the reasoning type, including mathematical, logical, or commonsense reasoning. This adaptive approach ensures both efficiency and robustness across different verification scenarios. Experimental results show that VerifiAgent outperforms baseline verification methods (e.g., deductive verifier, backward verifier) among all reasoning tasks. Additionally, it can further enhance reasoning accuracy by leveraging feedback from verification results. VerifiAgent can also be effectively applied to inference scaling, achieving better results with fewer generated samples and costs compared to existing process reward models in the mathematical reasoning domain. Code is available at https://github.com/Jiuzhouh/VerifiAgent

Formal theorem proving with TLA+ provides rigorous guarantees for system specifications, but constructing proofs requires substantial expertise and effort. While large language models have shown promise in automating proofs for tactic-based theorem provers like Lean, applying these approaches directly to TLA+ faces significant challenges due to the hierarchical proof structure of the TLA+ proof system. We present a prompt-based approach that leverages LLMs to guide hierarchical decomposition of complex proof obligations into simpler sub-claims, while relying on symbolic provers for verification. Our key insight is to constrain LLMs to generate normalized claim decompositions rather than complete proofs, significantly reducing syntax errors. We also introduce a benchmark suite of 119 theorems adapted from (1) established mathematical collections and (2) inductive proofs of distributed protocols. Our approach consistently outperforms baseline methods across the benchmark suite.

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.

The design of safety-critical agents based on large language models (LLMs) requires more than simple prompt engineering. This paper presents a comprehensive information-theoretic analysis of how rule encodings in system prompts influence attention mechanisms and compliance behaviour. We demonstrate that rule formats with low syntactic entropy and highly concentrated anchors reduce attention entropy and improve pointer fidelity, but reveal a fundamental trade-off between anchor redundancy and attention entropy that previous work failed to recognize. Through formal analysis of multiple attention architectures including causal, bidirectional, local sparse, kernelized, and cross-attention mechanisms, we establish bounds on pointer fidelity and show how anchor placement strategies must account for competing fidelity and entropy objectives. Combining these insights with a dynamic rule verification architecture, we provide a formal proof that hot reloading of verified rule sets increases the asymptotic probability of compliant outputs. These findings underscore the necessity of principled anchor design and dual enforcement mechanisms to protect LLM-based agents against prompt injection attacks while maintaining compliance in evolving domains.

Instruction-following is a foundational capability of large language models (LLMs), with its improvement hinging on scalable and accurate feedback from judge models. However, the reliability of current judge models in instruction-following remains underexplored due to several deficiencies of existing meta-evaluation benchmarks, such as their insufficient data coverage and oversimplified pairwise evaluation paradigms that misalign with model optimization scenarios. To this end, we propose IF-RewardBench, a comprehensive meta-evaluation benchmark for instruction-following that covers diverse instruction and constraint types. For each instruction, we construct a preference graph containing all pairwise preferences among multiple responses based on instruction-following quality. This design enables a listwise evaluation paradigm that assesses the capabilities of judge models to rank multiple responses, which is essential in guiding model alignment. Extensive experiments on IF-RewardBench reveal significant deficiencies in current judge models and demonstrate that our benchmark achieves a stronger positive correlation with downstream task performance compared to existing benchmarks. Our codes and data are available at https://github.com/thu-coai/IF-RewardBench.

Production assertions are statements embedded in the code to help developers validate their assumptions about the code. They assist developers in debugging, provide valuable documentation, and enhance code comprehension. Current research in this area primarily focuses on assertion generation for unit tests using techniques, such as static analysis and deep learning. While these techniques have shown promise, they fall short when it comes to generating production assertions, which serve a different purpose. This preprint addresses the gap by introducing Assertify, an automated end-to-end tool that leverages Large Language Models (LLMs) and prompt engineering with few-shot learning to generate production assertions. By creating context-rich prompts, the tool emulates the approach developers take when creating production assertions for their code. To evaluate our approach, we compiled a dataset of 2,810 methods by scraping 22 mature Java repositories from GitHub. Our experiments demonstrate the effectiveness of few-shot learning by producing assertions with an average ROUGE-L score of 0.526, indicating reasonably high structural similarity with the assertions written by developers. This research demonstrates the potential of LLMs in automating the generation of production assertions that resemble the original assertions.

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.

Reinforcement Learning with Verifiable Rewards (RLVR) improves instruction following capabilities of large language models (LLMs), but suffers from training inefficiency due to inadequate difficulty assessment. Moreover, RLVR is prone to over-optimization, where LLMs exploit verification shortcuts without aligning to the actual intent of user instructions. We introduce Instruction Following Decorator (IFDecorator}, a framework that wraps RLVR training into a robust and sample-efficient pipeline. It consists of three components: (1) a cooperative-adversarial data flywheel that co-evolves instructions and hybrid verifications, generating progressively more challenging instruction-verification pairs; (2) IntentCheck, a bypass module enforcing intent alignment; and (3) trip wires, a diagnostic mechanism that detects reward hacking via trap instructions, which trigger and capture shortcut exploitation behaviors. Our Qwen2.5-32B-Instruct-IFDecorator achieves 87.43% accuracy on IFEval, outperforming larger proprietary models such as GPT-4o. Additionally, we demonstrate substantial improvements on FollowBench while preserving general capabilities. Our trip wires show significant reductions in reward hacking rates. We will release models, code, and data for future research.

In the realm of Large Language Models, the balance between instruction data quality and quantity has become a focal point. Recognizing this, we introduce a self-guided methodology for LLMs to autonomously discern and select cherry samples from vast open-source datasets, effectively minimizing manual curation and potential cost for instruction tuning an LLM. Our key innovation, the Instruction-Following Difficulty (IFD) metric, emerges as a pivotal tool to identify discrepancies between a model's expected responses and its autonomous generation prowess. Through the adept application of IFD, cherry samples are pinpointed, leading to a marked uptick in model training efficiency. Empirical validations on renowned datasets like Alpaca and WizardLM underpin our findings; with a mere 10% of conventional data input, our strategy showcases improved results. This synthesis of self-guided cherry-picking and the IFD metric signifies a transformative leap in the optimization of LLMs, promising both efficiency and resource-conscious advancements. Codes, data, and models are available: https://github.com/MingLiiii/Cherry_LLM

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

Code Executing Reasoning is becoming a new non-functional metric that assesses the ability of large language models (LLMs) in programming tasks. State-of-the-art frameworks (CodeMind or REval) and benchmarks (CruxEval) usually focus on LLM's prediction of a given code's input/output or intermediate variable states/values on limited programs. However, there is no tool for more in-depth analysis of the results. Without such a tool, the observations about LLM's code execution reasoning cannot be generalized to more datasets, preventing the research community and practitioners from devising the next generation of LLMs with better code execution reasoning abilities. This paper introduces ExeRScope, a series of tools and heuristics to analyze the result of code execution reasoning frameworks to understand better the impact of code properties in the studied benchmarks on the code execution reasoning. With such tooling, analysis can be generalized to code with similar properties without the urgent need to design more benchmarks, which is a cumbersome effort.

Aligning large language models (LLMs) with human values, particularly in the face of stealthy and complex jailbreaks, presents a formidable challenge. In this study, we present a simple yet highly effective defense strategy, i.e., Intention Analysis Prompting (IAPrompt). The principle behind is to trigger LLMs' inherent self-correct and improve ability through a two-stage process: 1) essential intention analysis, and 2) policy-aligned response. Notably, IAPrompt is an inference-only method, thus could enhance the safety of LLMs without compromising their helpfulness. Extensive experiments on SAP200 and DAN benchmarks across Vicuna, ChatGLM, MPT, DeepSeek, and GPT-3.5 show that IAPrompt could consistently and significantly reduce the harmfulness in response (averagely -46.5% attack success rate) and maintain the general helpfulness. Further analyses present some insights into how our method works. To facilitate reproducibility, We release our code and scripts at: https://github.com/alphadl/SafeLLM_with_IntentionAnalysis

A classical intuition holds that verifying a solution is easier than producing one. For today's coding agents, this intuition is being inverted: as foundation models develop stronger reasoning capabilities and engineering harnesses grow more sophisticated, generating complex candidate solutions is no longer difficult -- reliably verifying them has become the harder problem. Every verifier we can build is only a proxy for human intent, never the intent itself. This makes verification subject to a twofold difficulty: first, intent is underspecified by nature, making it inherently hard to faithfully check whether it has been fulfilled; second, during model training, optimization widens the gap between proxy and intent -- manifesting as reward hacking or signal saturation. To address this, we characterize the quality of verification signals along three dimensions -- scalability, faithfulness, and robustness -- and argue that achieving all three simultaneously is the central challenge. We further study four reward constructions: a test verifier for general coding tasks, a rubric verifier for frontend tasks, the user as verifier for real-world agent tasks, and an automated agent verifier for long-horizon tasks. Across different task types and policy capability levels, we conduct in-depth analysis and experiments on the core challenges of reward design and how to more effectively leverage reward signals. Experiments show that targeted verification design can effectively suppress reward hacking, improve task completion quality, and achieve significant gains across multiple internal and public benchmarks. These experiences collectively point to a core observation: no fixed reward function can remain effective as policy capability continues to grow; and verification must co-evolve with the generator.

Despite their remarkable performance, large language models lack elementary safety features, making them susceptible to numerous malicious attacks. In particular, previous work has identified the absence of an intrinsic separation between instructions and data as the root cause of the success of prompt injection attacks. In this work, we propose a new architectural element, ASIDE, that allows language models to clearly separate instructions and data at the level of token embeddings. ASIDE applies an orthogonal rotation to the embeddings of data tokens, thus creating clearly distinct representations of instructions and data tokens without introducing any additional parameters. As we demonstrate experimentally across a range of models, instruction-tuning LLMs with ASIDE (1) achieves substantially higher instruction-data separation without performance loss and (2) makes the models more robust to prompt injection benchmarks, even without dedicated safety training. Additionally, we provide insights into the mechanism underlying our method through an analysis of the model representations. The source code and training scripts are openly accessible at https://github.com/egozverev/aside.

Language environments such as web browsers, code terminals, and interactive simulations emit raw text rather than states, and provide none of the runtime structure that MDP analysis requires. No explicit state space, no observation-to-state mapping, no certified transitions, and no termination criterion. We introduce the State-Centric Decision Process (SDP), a runtime framework that constructs these missing inputs by having the agent build them, predicate by predicate, as it acts. At each step the agent commits to a natural-language predicate describing how the world should look, takes an action to make it true, and checks the observation against it. Predicates that pass become certified states, and the resulting trajectory carries the four objects language environments do not provide, namely a task-induced state space, an observation-to-state mapping, certified transitions, and a termination criterion. We evaluate SDP on five benchmarks spanning planning, scientific exploration, web reasoning, and multi-hop question answering. SDP achieves the best training-free results on all five, with the advantage widening as the horizon grows. The certified trajectories additionally support analyses unavailable to reactive agents, including per-predicate credit assignment, failure localization, partial-progress measurement, and modular operator replacement.

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

State-of-the-art neural network (NN) verifiers demonstrate that applying the branch-and-bound (BaB) procedure with fast bounding techniques plays a key role in tackling many challenging verification properties. In this work, we introduce the linear constraint-driven clipping framework, a class of scalable and efficient methods designed to enhance the efficacy of NN verifiers. Under this framework, we develop two novel algorithms that efficiently utilize linear constraints to 1) reduce portions of the input space that are either verified or irrelevant to a subproblem in the context of branch-and-bound, and 2) directly improve intermediate bounds throughout the network. The process novelly leverages linear constraints that often arise from bound propagation methods and is general enough to also incorporate constraints from other sources. It efficiently handles linear constraints using a specialized GPU procedure that can scale to large neural networks without the use of expensive external solvers. Our verification procedure, Clip-and-Verify, consistently tightens bounds across multiple benchmarks and can significantly reduce the number of subproblems handled during BaB. We show that our clipping algorithms can be integrated with BaB-based verifiers such as α,β-CROWN, utilizing either the split constraints in activation-space BaB or the output constraints that denote the unverified input space. We demonstrate the effectiveness of our procedure on a broad range of benchmarks where, in some instances, we witness a 96% reduction in the number of subproblems during branch-and-bound, and also achieve state-of-the-art verified accuracy across multiple benchmarks. Clip-and-Verify is part of the α,β-CROWN verifier (http://abcrown.org), the VNN-COMP 2025 winner. Code available at https://github.com/Verified-Intelligence/Clip_and_Verify.

Equipping Large Language Models (LLMs) to execute reliable multi-step workflows has become a central challenge in artificial intelligence. Despite recent advances in LLMs' agentic capabilities, most agent systems still lack formal methods for specifying, verifying, and debugging their workflow and execution trajectories. This challenge mirrors a long-standing problem in mathematics, where the ambiguity of natural languages (NLs) motivates the development of formal languages (FLs). Inspired by this paradigm, we propose **Lean4Agent**, to the best of our knowledge, the first framework that uses Lean4, a dependent-type FL to model and verify agent behavior. **Lean4Agent** launches **FormalAgentLib**, an extensible Lean4 library for formally modeling and verifying agent workflows' semantic consistency under explicit assumptions, and enabling localization of execution-time failures revealed by trajectories. Building on **FormalAgentLib**, we further develop **LeanEvolve**, which applies results in **FormalAgentLib** to revise workflows to enhance its capability. Extensive experiments on a hard problem subset of SWE-Bench-Verified and a subset of ELAIP-Bench across 5 leading LLMs indicate that the verification-passing workflows outperform the failing ones by an average of **11.94%**, and **LeanEvolve** further improves SWE performance by **7.47%** on average. Furthermore, **Lean4Agent** establishes a foundation for a new field of using expressive dependent-type FL to formally model and verify agent behavior.

The optimization of long-horizon agents increasingly relies on reflection-based mechanisms, where a large language model (LLM) acts as an optimizer to diagnose agent failures and improve agent policies. However, real execution traces are difficult to use directly for optimization: large trace collections are often redundant and heterogeneous, making optimization inefficient and prone to overfitting to low-value failures; meanwhile, each individual trajectory also contains many irrelevant steps, while naive context reduction methods such as truncation or sliding windows can discard causally important evidence and produce misleading optimization signals. To resolve this dilemma, we introduce STRACE (Structural TRajectory Analysis and Causal Extraction), a framework that constructs high signal-noise optimization contexts for more precise and effective optimization. At the batch level, STRACE mines failure patterns to filter redundant traces and retain representative failures; within each selected trace, it performs causal localization over a textual dependency graph to remove non-causal steps and identify the true root-cause module for optimization. Empirical results demonstrate that STRACE significantly outperforms standard context-filtering baselines. Notably, on a challenging formal verification task (VeruSAGE-Bench), it successfully optimizes human-expert designed agents, delivering 1.4times success-rate improvement (42.5% to 58.5%). The code is available at https://github.com/moomight/STRACE .