Daily Papers

World models take multimodal inputs like text, photos, and diagrams to generate dynamic scenes in accordance with the laws of physics, thus opening a compelling application: fusing multimodal legal evidence to re-create a crime scene and re-enact how an offence could have been committed. However, feeding the raw, unorganized evidence into a world model fails in forensic use: it silently drops evidence, glosses over contradictory testimony, and produces motion that violates the evidentiary record. This paper presents VeriScene, an agent that orchestrates the world model: it reconstructs crime scenes from forensic photographs and witness statements of varying reliability, keeping every claim traceable to evidence and every motion physically plausible. VeriScene iteratively fuses the evidence into a cited narrative under an auditing loop, verifies the hypothesized dynamics via probe rollouts in the world model with corrective constraint injection, and renders the offence as a re-enactment video from a fused keyframe. On a benchmark of 25 crime scenarios across 7 physically-driven case types (139 forensic-style photographs and 65 statements with planted unreliability), VeriScene attains 0.9014 evidence coverage and 0.7217 factual consistency (0-1 scale) on the 20 test scenes, outperforming an end-to-end multimodal-LLM baseline by 20.35% in factual consistency and 34.88% in temporal coherence, while generalizing across four LLM orchestration backends at USD 1.82 per scene.

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.

With the increasing adoption of Large Language Models (LLMs), more customization is needed to ensure privacy-preserving and safe generation. We address this objective from two critical aspects: unlearning of sensitive information and robustness to jail-breaking attacks. We investigate various constrained optimization formulations that address both aspects in a unified manner, by finding the smallest possible interventions on LLM weights that either make a given vocabulary set unreachable or embed the LLM with robustness to tailored attacks by shifting part of the weights to a safer region. Beyond unifying two key properties, this approach contrasts with previous work in that it doesn't require an oracle classifier that is typically not available or represents a computational overhead. Surprisingly, we find that the simplest point-wise constraint-based intervention we propose leads to better performance than max-min interventions, while having a lower computational cost. Comparison against state-of-the-art defense methods demonstrates superior performance of the proposed approach.

Test-time scaling via sequential revision has emerged as a powerful paradigm for enhancing Large Language Model (LLM) reasoning. However, standard post-training methods primarily optimize single-shot objectives, creating a fundamental misalignment with multi-step inference dynamics. While recent work treats this as multi-turn reinforcement learning (RL), conventional approaches optimize over the multi-step trajectories directly, failing to further exploit the high-quality mistakes in intermediate steps that model can learn from correcting them. We propose a two-stage iterative framework that alternates between online data/prompt augmentation and policy optimization. By converting the intermediate steps (``near-miss'' answers) in the successful recovery trajectories into decoupled revision and verification prompts, our approach concentrates training on both effective answer transformation and error identification. This approach enables efficient off-policy data generation and reduces the computational overhead of long-horizon sampling compared to standard multi-turn RL. On LiveCodeBench, using publicly available test cases as feedback, we observe gains of +6.5 points over the RL baseline and +4.0 points over standard multi-turn training. Beyond coding, our approach matches the previously reported SOTA result on circle packing while using the smallest base model (4B) and far fewer rollouts than the much larger evolutionary search systems. Math results under ground-truth verification further confirm improved correction ability. It also generalizes to out-of-distribution constraint-satisfaction puzzles such as n\_queens and mini\_sudoku, where correctness is defined entirely by problem constraints. Code is available at https://github.com/yxliu02/REVES.git.

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 (LLMs) have advanced significantly in code generation, yet their ability to follow complex programming instructions with layered and diverse constraints remains underexplored. Existing benchmarks often prioritize functional correctness, overlooking the nuanced requirements found in real-world development. We introduce MultiCodeIF, a comprehensive benchmark designed to evaluate instruction-following in code generation across multiple dimensions: constraint type, hierarchical levels, and iterative refinement. Built upon a structured taxonomy of 9 categories and 27 constraint types, MultiCodeIF enables granular assessment of both functional and non-functional instruction adherence. Using an automated pipeline, ConstraGen, we synthesize and evolve 2,021 code tasks sourced from 14 programming languages, supporting multi-turn evaluation through feedback-driven task variants. Empirical evaluation of six state-of-the-art LLMs uncovers substantial performance disparities. The top-performing model, Claude-3-7-Sonnet, achieves 63.0% average constraint satisfaction, while smaller models like Qwen3-1.7B fall to 44.8%. Models perform well on explicit constraints, but struggle with implicit or abstract constraints. Tasks with multiple hierarchical constraints significantly reduce model success rates, from 54.5% in single-level to just 18.8% in multi-level scenarios. However, structured feedback enables progressive improvement: average constraint satisfaction rises from 63.0% to 83.4% over four iterative refinement rounds. MultiCodeIF provides a scalable, constraint-aware, and feedback-sensitive framework to benchmark LLMs under realistic code generation scenarios, bridging the gap between synthetic evaluations and real-world instruction complexity. The full benchmark dataset, evaluation pipeline, and source code are available at https://github.com/SYSUSELab/MultiCodeIF.

Constrained decoding guarantees that Large Language Models (LLMs) produce outputs conforming to predefined formats, but is often assumed to inherently degrade reasoning. We examine this assumption through a taxonomy of three constraint types: format constraints, which enforce output structure; validity constraints, which mask invalid answer; and reasoning constraints, which restrict reasoning trajectories. We theoretically show that appropriate constraints can preserve or improve performance by eliminating invalid paths. Across four model families and eleven open-source models, causal ablations on diverse benchmarks using state-of-the-art constrained decoding strategies reveal that apparent performance degradation largely stems from non-equivalent prompting and output formats rather than from decoder-level masking. Meanwhile, validity constraints improve reliability and extractability by eliminating invalid answers, while reasoning constraints can improve reasoning and, consequently, accuracy when they enforce beneficial trajectories. These findings show that the impact of constrained decoding depends on the type of constraint and the output space it removes. Our code is available.

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

Intra-weight injection lets one model change another model's behaviour by editing its weights directly, without gradients. Such edits can range from altering lexical associations to enforcing output formats or updating factual knowledge. Despite growing interest in these approaches, there has been no systematic way to evaluate how well models perform them. We introduce IWIBench, which measures a large editor model's ability to modify the weights of a smaller target model (typically Gemma 3 4B IT) to achieve one of ten classical text-editing objectives while preserving its other capabilities. Editors are limited to four tools for reading and writing weights, with bounded tensor access and a fixed budget for generating and inspecting rollouts. A validator applies each proposed patch in a clean environment and compares the edited model against the unmodified target. Evaluating frontier closed- and open-weight models reveals sharply diverging capabilities, both across models and across tasks. A small number of models, most notably Astra and GPT-6.1 Sol, perform far ahead of the rest. The recency of this ability (little of it is evident in GPT-5.6 Sol, for instance), together with qualitative analysis, suggests it has been acquired through recent training. Tasks also vary widely: structured response resisted every attempt, and answer-length control yielded only one successful solution, whereas alias acquisition and recoding proved most amenable. Success in one task family correlated poorly with success in others, indicating an early and uneven capability frontier. We discuss strategies that editors repeatedly adopted and conclude with an outlook on intra-weight injection as an emerging but already potent approach to gradient-free behaviour modification.

As large language models (LLMs) are widely adopted in real-world applications, it has become critical to ensure LLMs satisfy safety constraints, such as non-toxicity and logical consistency, as well as task- and situation-specific constraints. Controlling the output through instructions is a simple and tempting approach; however, it remains brittle, is opaque in how it influences model behavior, and thus cannot reliably ensure constraint satisfaction. Moreover, most recent controlled text generation (CTG) methods require access to the internal components of language models--such as weights or logits--making them incompatible with popular API-based LLMs. In this work, we propose LaSEr-Edit, a constraint-satisfying text revision method that can be applied to any LLMs, black- or white-box. We first find that lightweight, task-specific energy-based models (EBMs) achieve error-localization performance competitive with or even better than that of much larger LLMs, while operating substantially faster. Based on this finding, we propose two variants of text revision methods that incorporate energy-based error localization: LaSEr-LLM Edit, which instructs an LLM to edit text given EBM-predicted error spans, and LaSEr-EBM Edit, which uses the EBM not only for localization but also for editing by reranking edit candidates. Through experiments in diverse single-constraint control tasks, we show that LaSEr-LLM Edit controls text better than plain LLM-based editing in most of the tasks. We also find that LaSEr-EBM Edit further improves the control performance of LaSEr-LLM Edit and achieves among the strongest controllability across all tasks. Furthermore, we find that LaSEr-Edit, especially LaSEr-EBM Edit, performs well even when multiple constraints are controlled simultaneously.

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.

Regardless of the particular task we want them to perform in an environment, there are often shared safety constraints we want our agents to respect. For example, regardless of whether it is making a sandwich or clearing the table, a kitchen robot should not break a plate. Manually specifying such a constraint can be both time-consuming and error-prone. We show how to learn constraints from expert demonstrations of safe task completion by extending inverse reinforcement learning (IRL) techniques to the space of constraints. Intuitively, we learn constraints that forbid highly rewarding behavior that the expert could have taken but chose not to. Unfortunately, the constraint learning problem is rather ill-posed and typically leads to overly conservative constraints that forbid all behavior that the expert did not take. We counter this by leveraging diverse demonstrations that naturally occur in multi-task settings to learn a tighter set of constraints. We validate our method with simulation experiments on high-dimensional continuous control tasks.

Agentic Entity Resolution (ER) systems iteratively plan actions, retrieve evidence, revise hypotheses, and propose graph mutations. An erroneous identity hypothesis may condition later retrieval and produce apparent confirmation. This paper proposes a Digital Identity Optimization (DIO) and Ontology of Digital Identity (ODI)-informed authorization boundary between evidence available for agent reasoning and evidence eligible to authorize persistent identity-changing mutations. A domain-governed constraint-binding function maps selected reconstruction-failure distinctions to explicit identity-preserving constraints. An abstract two-phase supervisor permits a commit only when claim-specific authorization-eligible evidence supports every required proposition, relevant conflicts are resolved, the operation remains within its authorized scope, and relevant state and policy versions remain valid. Admission as UNVERIFIED does not confer authorization eligibility. Separate claim-specific promotion governs evidentiary use; insufficient support or unresolved material conflict leads to deferral. The contribution is a specification connecting diagnostic-to-constraint mapping, evidence promotion, proposition coverage, conflict handling, scope binding, and commit-time version integrity. A proposed evaluation protocol is designed to assess the mapping's incremental value beyond generic authorization and conventional identifier rules. This is a conceptual architecture without implementation or empirical validation, not a theorem of semantic correctness. Its property depends on domain-policy adequacy, evidence promotion, and enforcement. It does not prevent erroneous hypotheses or hypothesis-conditioned retrieval; dependency-aware evidence flow remains future research.

Optimization modeling via mixed-integer linear programming (MILP) is fundamental to industrial planning and scheduling, yet translating natural-language requirements into solver-executable models and maintaining them under evolving business rules remains highly expertise-intensive. While large language models (LLMs) offer promising avenues for automation, existing methods often suffer from low data efficiency, limited solver-level validity, and poor scalability to industrial-scale problems. To address these challenges, we present EvoOpt-LLM, a unified LLM-based framework supporting the full lifecycle of industrial optimization modeling, including automated model construction, dynamic business-constraint injection, and end-to-end variable pruning. Built on a 7B-parameter LLM and adapted via parameter-efficient LoRA fine-tuning, EvoOpt-LLM achieves a generation rate of 91% and an executability rate of 65.9% with only 3,000 training samples, with critical performance gains emerging under 1,500 samples. The constraint injection module reliably augments existing MILP models while preserving original objectives, and the variable pruning module enhances computational efficiency, achieving an F1 score of ~0.56 on medium-sized LP models with only 400 samples. EvoOpt-LLM demonstrates a practical, data-efficient approach to industrial optimization modeling, reducing reliance on expert intervention while improving adaptability and solver efficiency.

Precise instruction-following is a fundamental ability of large language models (LLMs), requiring their outputs to strictly satisfy objective constraints in input instructions. In complex application scenarios, these constraints often possess diverse scopes that govern specific response segments rather than the entire output. However, existing optimization methods often neglect constraint scope during data construction and rely on binary per-constraint rewards, yielding limited data diversity and sparse supervision for complex constraints. To this end, we propose ScopeIF, a novel training framework for scope-aware precise instruction-following. We first introduce a unified schema that factorizes objective constraints into three decoupled dimensions: Scope, Target, and Range. Grounded in this schema, we construct ScopeInstruct, a large-scale instruction dataset with diverse scope-aware constraints, and combine tool-grounded verification with graded reward modeling to quantify the violation degree of each constraint, providing dense supervision for policy optimization. Extensive experiments demonstrate that ScopeIF consistently outperforms existing methods, particularly on complex scope-aware constraints, while preserving general capabilities. Notably, it enables optimized Qwen3-4B and 8B models to rival or surpass strong frontier models such as Gemini-2.5-Pro and DeepSeek-V3.2, establishing an effective paradigm for advancing scope-aware instruction-following. Our code and data are available at https://github.com/thu-coai/ScopeIF.

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.

Large Language Models are powerful tools for program synthesis and advanced auto-completion, but come with no guarantee that their output code is syntactically correct. This paper contributes an incremental parser that allows early rejection of syntactically incorrect code, as well as efficient detection of complete programs for fill-in-the-middle (FIM) tasks. We extend the Earley parsing algorithm to allow for left and right quotients of context-free grammars, and develop methods to handle quotienting of several context-sensitive features present in the grammars of many common programming languages. The result of these contributions is an efficient, general, and well-grounded method for left and right quotient parsing. To validate our theoretical contributions -- and the effectiveness of certain design decisions -- we evaluate our method on the particularly difficult case of FIM completion for Python 3, with syntax-correctness constraints. Our results demonstrate that constrained generation can significantly reduce the incidence of syntax errors in recommended code.

Large language models are increasingly embedded into systems that interact with user data, retrieved web content, and external tools, creating a new attack surface: prompt injection, where malicious commands embedded in untrusted data override the trusted command and induce unintended behavior. Existing defenses mainly rely on fine-tuning the model to preserve an explicit boundary between trusted commands and the untrusted data portion, so that the model learns to prioritize the trusted field and ignore malicious commands in data. However, we observe that while these defenses can block obviously malicious responses caused by injected commands, they generalize poorly to real-world scenarios where the model's response to the injected command is much nearer to the correct response. This is because existing methods typically train against only a fixed set of hand-crafted attack targets, which yields a loose boundary around the correct response and leaves it easier to bypass. To address this challenge, we propose LocalAlign, a more generalizable prompt injection defense inspired by adversarial training. LocalAlign automatically and efficiently generates adversarial examples in which the command embedded in the data portion induces a response that stays near to the correct response while still being wrong. We generate such near-but-wrong adversarial examples using prompting and a single inference step. This design enforces a tighter robustness boundary around the correct response: even small response shifts induced by commands in untrusted data are explicitly penalized. Moreover, the resulting adversarial examples can vary substantially in quality across samples. To address this issue, we further introduce a margin-aware alignment algorithm that quantifies each sample's distance to the correct response and assigns larger training weight to nearer ones.

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.

Distilling the reasoning capabilities of large language models (LLMs) into smaller students is a central challenge for efficient deployment. Current approaches face a fundamental tension: optimizing purely for verifiable task rewards (e.g., via GRPO) leads to reward hacking, where students arrive at correct final answers through flawed intermediate logic, while regularizing with soft divergence penalties against a teacher (e.g., KL-based distillation) dilutes task performance and, critically, allows the student to compensate for severe logical violations at one step with high teacher agreement at others. We argue that this averaging is fundamentally misaligned with the nature of reasoning: a chain-of-thought is only as valid as its weakest link. Motivated by this observation, we formulate reasoning distillation as a constrained reinforcement learning problem in which the task reward is maximized subject to a worst-case constraint on the teacher log-likelihood along every prefix of the trajectory. To avoid the prohibitive cost of dual Lagrangian solvers and the test-time teacher dependence of state-augmented methods such as Saute, we derive an unaugmented constrained MDP whose reward transformation preserves the hard-constraint semantics, admits a low-variance policy gradient decomposition into single-step and long-term terms, and provably satisfies the worst-case constraint almost surely in the penalty limit. Through extensive experiments on mathematical reasoning and code generation tasks, we demonstrate that our method significantly expands the accuracy-fidelity Pareto front. By matching the high Final Answer Correctness of pure RL and drastically reducing teacher constraint violations, we ultimately achieve the highest rigorous Reasoning Success Rate across all evaluated settings.

Instruction following (IF) is a critical capability for large language models (LLMs). However, handling complex instructions with multiple constraints remains challenging. Previous methods typically select preference pairs based on the number of constraints they satisfy, introducing noise where chosen examples may fail to follow some constraints and rejected examples may excel in certain respects over the chosen ones. To address the challenge of aligning with multiple preferences, we propose a simple yet effective method called Reverse Preference Optimization (RPO). It mitigates noise in preference pairs by dynamically reversing the constraints within the instruction to ensure the chosen response is perfect, alleviating the burden of extensive sampling and filtering to collect perfect responses. Besides, reversal also enlarges the gap between chosen and rejected responses, thereby clarifying the optimization direction and making it more robust to noise. We evaluate RPO on two multi-turn IF benchmarks, Sysbench and Multi-IF, demonstrating average improvements over the DPO baseline of 4.6 and 2.5 points (on Llama-3.1 8B), respectively. Moreover, RPO scales effectively across model sizes (8B to 70B parameters), with the 70B RPO model surpassing GPT-4o.

Safety alignment in Large Language Models (LLMs) often involves mediating internal representations to refuse harmful requests. Recent research has demonstrated that these safety mechanisms can be bypassed by ablating or removing specific representational directions within the model. In this paper, we propose the opposite approach: Rank-One Safety Injection (ROSI), a white-box method that amplifies a model's safety alignment by permanently steering its activations toward the refusal-mediating subspace. ROSI operates as a simple, fine-tuning-free rank-one weight modification applied to all residual stream write matrices. The required safety direction can be computed from a small set of harmful and harmless instruction pairs. We show that ROSI consistently increases safety refusal rates - as evaluated by Llama Guard 3 - while preserving the utility of the model on standard benchmarks such as MMLU, HellaSwag, and Arc. Furthermore, we show that ROSI can also re-align 'uncensored' models by amplifying their own latent safety directions, demonstrating its utility as an effective last-mile safety procedure. Our results suggest that targeted, interpretable weight steering is a cheap and potent mechanism to improve LLM safety, complementing more resource-intensive fine-tuning paradigms.

User alignment is crucial for adapting general-purpose language models (LMs) to downstream tasks, but human annotations are often not available for all types of instructions, especially those with customized constraints. We observe that user instructions typically contain constraints. While assessing response quality in terms of the whole instruction is often costly, efficiently evaluating the satisfaction rate of constraints is feasible. We investigate common constraints in NLP tasks, categorize them into three classes based on the types of their arguments, and propose a unified framework, ACT (Aligning to ConsTraints), to automatically produce supervision signals for user alignment with constraints. Specifically, ACT uses constraint verifiers, which are typically easy to implement in practice, to compute constraint satisfaction rate (CSR) of each response. It samples multiple responses for each prompt and collect preference labels based on their CSR automatically. Subsequently, ACT adapts the LM to the target task through a ranking-based learning process. Experiments on fine-grained entity typing, abstractive summarization, and temporal question answering show that ACT is able to enhance LMs' capability to adhere to different classes of constraints, thereby improving task performance. Further experiments show that the constraint-following capabilities are transferable.

The ability to follow instructions is crucial for Large Language Models (LLMs) to handle various real-world applications. Existing benchmarks primarily focus on evaluating pure response quality, rather than assessing whether the response follows constraints stated in the instruction. To fill this research gap, in this paper, we propose FollowBench, a Multi-level Fine-grained Constraints Following Benchmark for LLMs. FollowBench comprehensively includes five different types (i.e., Content, Situation, Style, Format, and Example) of fine-grained constraints. To enable a precise constraint following estimation on diverse difficulties, we introduce a Multi-level mechanism that incrementally adds a single constraint to the initial instruction at each increased level. To assess whether LLMs' outputs have satisfied every individual constraint, we propose to prompt strong LLMs with constraint-evolution paths to handle challenging open-ended instructions. By evaluating ten closed-source and open-source popular LLMs on FollowBench, we highlight the weaknesses of LLMs in instruction following and point towards potential avenues for future work. The data and code are publicly available at https://github.com/YJiangcm/FollowBench.

Although Large Reasoning Models (LRMs) have progressed in solving complex problems, their chain-of-thought (CoT) reasoning often contains harmful content that can persist even when the final responses appear safe. We show that this issue still remains in existing methods which overlook the unique significance of safe reasoning, undermining their trustworthiness and posing potential risks in applications if unsafe reasoning is accessible for and exploited by malicious users. We therefore shift our focus to aligning the safety of reasoning itself in this paper and explore process supervision as the solution. However, simply rewarding safe reasoning proves inadequate due to low rollout diversity and limited training signals. To tackle this challenge, we first delve into the characteristics of safe reasoning and uncover several critical insights that 1) safe reasoning is often consolidated by a few critical steps of safety triggers; 2) compliance cues strongly correlate with unsafe continuations; and 3) corrective interventions reliably steer unsafe trajectories towards safer traces. Motivated by these, we propose Intervened Preference Optimization (IPO), an alignment method that enforces safe reasoning by substituting compliance steps with safety triggers and constructing pairs for preference learning with strong signals. Experiments on jailbreak and adversarial safety benchmarks demonstrate that IPO remarkably improves overall safety regarding both reasoning and responses, outperforming SFT-based and RL-based baselines with a relative reduction of over 30% in harmfulness, while preserving excellent performance across diverse reasoning tasks. The results highlight the importance of explicit alignment for reasoning and provide a practical path to safer LRMs.

While Large Language Models (LLMs) have demonstrated remarkable capabilities in code generation, they often produce solutions that lack guarantees of correctness, robustness, and efficiency. This limitation is particularly acute in domains requiring strict constraints. CodeGrad introduces a principled framework that integrates rigorous verification techniques directly into an iterative LLM-based generation loop. It uniquely treats code as a differentiable variable, converting structured feedback and mathematical constraints into a textual pseudo-gradient. This gradient guides the model to iteratively refine solutions, ensuring they are not only functional but also robust and mathematically justified. We evaluate CodeGrad on the HumanEval, HumanEval+, and LiveCodeBench benchmarks. Our implementation outperforms strong baselines, achieving an absolute improvement of up to 27% on HumanEval and a 41% relative improvement on the challenging LiveCodeBench V6. StructuredGrad generates mathematically justified code that is robust and efficient, paving the way for reliable AI-assisted software development in high-stakes applications.

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.

Small open-source large language models (LLMs) in the 0.6B-4B parameter range are increasingly deployed for structured output generation (JSON, function calling, data extraction), yet little is known about how constrained decoding (CD) interacts with model scale in this regime. We benchmark five models from three families across 14 structured-output tasks under three decoding conditions (native, Outlines, XGrammar). We introduce a two-axis evaluation that separates structural correctness (schema validity) from semantic correctness (content accuracy). We find that CD eliminates all structural failures across all models (schema validity: 78.6-92.9% to 100%), but content accuracy reveals a persistent semantic gap that is scale-dependent: type coercion failures are fully CD-rescuable, while instruction-semantic failures (e.g., multi-step function calling) remain CD-resistant. Schema conformance is necessary but not sufficient for semantic correctness; CD's reach ends exactly where schema conformance ends.

Making language models solve constraint problems reliably often means having them translate the problem into a formal specification and delegating the search to a sound solver. But the translation is itself a language-model task, and an unfaithful translation makes the solver faithfully solve the wrong problem. Existing pipelines repair only translations that crash, returning the solver's error message and falling silent when the program runs but is wrong. We replace the error message with a proof: when the generated program is unsatisfiable, we extract a minimal unsatisfiable core over the model's own constraints and hand it back the exact set that cannot hold together, a leakage-free signal that localizes the fault. On a new benchmark of 77 problems with an exact oracle, translation to Answer Set Programming is faithful on six of seven domains and fails only on aggregate coverage scheduling, which concentrates the translation tax in one diagnosable pattern. A minimal core, rather than a bare error, is what stops a weaker model from fabricating solutions to infeasible problems, cutting fabrication from 79% to 7%. A strong chain-of-thought baseline meanwhile matches the symbolic route on accuracy, so the route's value is not accuracy but certificates and its refusal to fabricate.

Agents based on large language models (LLMs) have demonstrated effectiveness in solving a wide range of tasks by integrating LLMs with key modules such as planning, memory, and tool usage. Increasingly, customers are adopting LLM agents across a variety of commercial applications critical to reliability, including support for mental well-being, chemical synthesis, and software development. Nevertheless, our observations and daily use of LLM agents indicate that they are prone to making erroneous plans, especially when the tasks are complex and require long-term planning. In this paper, we propose PDoctor, a novel and automated approach to testing LLM agents and understanding their erroneous planning. As the first work in this direction, we formulate the detection of erroneous planning as a constraint satisfiability problem: an LLM agent's plan is considered erroneous if its execution violates the constraints derived from the user inputs. To this end, PDoctor first defines a domain-specific language (DSL) for user queries and synthesizes varying inputs with the assistance of the Z3 constraint solver. These synthesized inputs are natural language paragraphs that specify the requirements for completing a series of tasks. Then, PDoctor derives constraints from these requirements to form a testing oracle. We evaluate PDoctor with three mainstream agent frameworks and two powerful LLMs (GPT-3.5 and GPT-4). The results show that PDoctor can effectively detect diverse errors in agent planning and provide insights and error characteristics that are valuable to both agent developers and users. We conclude by discussing potential alternative designs and directions to extend PDoctor.

Large Language Models (LLMs) are aligned to meet ethical standards and safety requirements by training them to refuse answering harmful or unsafe prompts. In this paper, we demonstrate how adversaries can exploit LLMs' alignment to implant bias, or enforce targeted censorship without degrading the model's responsiveness to unrelated topics. Specifically, we propose Subversive Alignment Injection (SAI), a poisoning attack that leverages the alignment mechanism to trigger refusal on specific topics or queries predefined by the adversary. Although it is perhaps not surprising that refusal can be induced through overalignment, we demonstrate how this refusal can be exploited to inject bias into the model. Surprisingly, SAI evades state-of-the-art poisoning defenses including LLM state forensics, as well as robust aggregation techniques that are designed to detect poisoning in FL settings. We demonstrate the practical dangers of this attack by illustrating its end-to-end impacts on LLM-powered application pipelines. For chat based applications such as ChatDoctor, with 1% data poisoning, the system refuses to answer healthcare questions to targeted racial category leading to high bias (Delta DP of 23%). We also show that bias can be induced in other NLP tasks: for a resume selection pipeline aligned to refuse to summarize CVs from a selected university, high bias in selection (Delta DP of 27%) results. Even higher bias (Delta DP~38%) results on 9 other chat based downstream applications.

Large Language Models (LLMs) have exhibited strong mathematical reasoning and computational prowess, tackling tasks ranging from basic arithmetic to advanced competition-level problems. However, frequently occurring subtle errors, such as miscalculations or incorrect substitutions, limit the models' full mathematical potential. Existing studies to improve mathematical ability typically involve distilling reasoning skills from stronger LLMs or applying preference learning to step-wise response pairs. Although these methods leverage samples of varying granularity to mitigate reasoning errors, they overlook the frequently occurring subtle errors. A major reason is that sampled preference pairs involve differences unrelated to the errors, which may distract the model from focusing on subtle errors. In this work, we propose a novel preference learning framework called eRror-Injected Self-Editing (RISE), which injects predefined subtle errors into partial tokens of correct solutions to construct hard pairs for error mitigation. In detail, RISE uses the model itself to edit a small number of tokens in the solution, injecting designed subtle errors. Then, pairs composed of self-edited solutions and their corresponding correct ones, along with pairs of correct and incorrect solutions obtained through sampling, are used together for subtle error-aware DPO training. Compared with other preference learning methods, RISE further refines the training objective to focus on predefined errors and their tokens, without requiring fine-grained sampling or preference annotation. Extensive experiments validate the effectiveness of RISE, with preference learning on Qwen2-7B-Instruct yielding notable improvements of 3.0% on GSM8K and 7.9% on MATH.

A central challenge in large language model (LLM) editing is capability preservation: methods that successfully change targeted behavior can quietly game the editing proxy and corrupt general capabilities, producing degenerate behaviors reminiscent of proxy/reward hacking. We present CrispEdit, a scalable and principled second-order editing algorithm that treats capability preservation as an explicit constraint, unifying and generalizing several existing editing approaches. CrispEdit formulates editing as constrained optimization and enforces the constraint by projecting edit updates onto the low-curvature subspace of the capability-loss landscape. At the crux of CrispEdit is expressing capability constraint via Bregman divergence, whose quadratic form yields the Gauss-Newton Hessian exactly and even when the base model is not trained to convergence. We make this second-order procedure efficient at the LLM scale using Kronecker-factored approximate curvature (K-FAC) and a novel matrix-free projector that exploits Kronecker structure to avoid constructing massive projection matrices. Across standard model-editing benchmarks, CrispEdit achieves high edit success while keeping capability degradation below 1% on average across datasets, significantly improving over prior editors.

We identify a structural weakness in current large language model (LLM) alignment: modern refusal mechanisms are fail-open. While existing approaches encode refusal behaviors across multiple latent features, suppressing a single dominant feature-via prompt-based jailbreaks-can cause alignment to collapse, leading to unsafe generation. Motivated by this, we propose fail-closed alignment as a design principle for robust LLM safety: refusal mechanisms should remain effective even under partial failures via redundant, independent causal pathways. We present a concrete instantiation of this principle: a progressive alignment framework that iteratively identifies and ablates previously learned refusal directions, forcing the model to reconstruct safety along new, independent subspaces. Across four jailbreak attacks, we achieve the strongest overall robustness while mitigating over-refusal and preserving generation quality, with small computational overhead. Our mechanistic analyses confirm that models trained with our method encode multiple, causally independent refusal directions that prompt-based jailbreaks cannot suppress simultaneously, providing empirical support for fail-closed alignment as a principled foundation for robust LLM safety.

Large Language Models (LLMs) achieve strong program repair performance but often suffer from over-editing, where excessive modifications overwrite correct code and hinder bug localization. We systematically quantify its impact and introduce precise repair task, which maximizes reuse of correct code while fixing only buggy parts. Building on this insight, we propose PRepair, a framework that mitigates over-editing and improves repair accuracy. PRepair has two components: Self-Breaking, which generates diverse buggy programs via controlled bug injection and min-max sampling, and Self-Repairing, which trains models with Edit-Aware Group Relative Policy Optimization (EA-GRPO) using an edit-aware reward to encourage minimal yet correct edits. Experiments show that PRepair improves repair precision by up to 31.4% under fix_1@1, a metric that jointly considers repair correctness and extent, and significantly increases decoding throughput when combined with speculative editing, demonstrating its potential for precise and practical code repair.

Recently, the rapid development of large language models (LLMs) has reshaped software engineering by enabling autonomous code agents that plan, execute, and utilize external tools iteratively to tackle complex tasks. Beyond achieving functional correctness, these agents must faithfully follow process instructions and constraints throughout the development lifecycle. However, existing benchmarks typically focus on final functional correctness or confine instruction-following evaluation to single-turn, general chat or simple code generation scenarios, leaving instruction-following in multi-turn agentic coding underexplored. To bridge this gap, we propose MTAC-IFBench, a comprehensive benchmark for this critical capability. It features multi-turn progressive software development instructions with diverse constraints spanning 6 primary and 18 secondary categories. With an average of 7.04 turns and 91.33 constraints per instance, it poses a rigorous challenge to current LLMs. To make the evaluation reliable, we construct a checklist for each constraint and functional requirement, and integrate verification scripts and judge agents to verify each checklist item. MTAC-IFBench identifies significant deficiencies in existing code agents in multi-turn instruction-following, with their performance degrading rapidly as the interaction session grows longer.

Controllable text generation is a fundamental aspect of natural language generation, with numerous methods proposed for different constraint types. However, these approaches often require significant architectural or decoding modifications, making them challenging to apply to additional constraints or resolve different constraint combinations. To address this, our paper introduces Regular Expression Instruction (REI), which utilizes an instruction-based mechanism to fully exploit regular expressions' advantages to uniformly model diverse constraints. Specifically, our REI supports all popular fine-grained controllable generation constraints, i.e., lexical, positional, and length, as well as their complex combinations, via regular expression-style instructions. Our method only requires fine-tuning on medium-scale language models or few-shot, in-context learning on large language models, and requires no further adjustment when applied to various constraint combinations. Experiments demonstrate that our straightforward approach yields high success rates and adaptability to various constraints while maintaining competitiveness in automatic metrics and outperforming most previous baselines.

Safety alignment approaches in large language models (LLMs) often lead to the over-refusal of benign queries, significantly diminishing their utility in sensitive scenarios. To address this challenge, we introduce FalseReject, a comprehensive resource containing 16k seemingly toxic queries accompanied by structured responses across 44 safety-related categories. We propose a graph-informed adversarial multi-agent interaction framework to generate diverse and complex prompts, while structuring responses with explicit reasoning to aid models in accurately distinguishing safe from unsafe contexts. FalseReject includes training datasets tailored for both standard instruction-tuned models and reasoning-oriented models, as well as a human-annotated benchmark test set. Our extensive benchmarking on 29 state-of-the-art (SOTA) LLMs reveals persistent over-refusal challenges. Empirical results demonstrate that supervised finetuning with FalseReject substantially reduces unnecessary refusals without compromising overall safety or general language capabilities.

Hierarchical Instruction Following (HIF) refers to the problem of prompting large language models with a priority-ordered stack of instructions. Standard methods like RLHF and DPO typically fail in this problem since they mainly optimize for a single objective, failing to explicitly enforce system prompt compliance. Meanwhile, supervised fine-tuning relies on mimicking filtered, compliant data, which fails to establish the priority asymmetry at the algorithmic level. In this paper, we introduce HIPO, a novel alignment framework that formulates HIF as a Constrained Markov Decision Process. HIPO elevates system prompts from mere input context to strict algorithmic boundaries. Using a primal-dual safe reinforcement learning approach, the algorithm dynamically enforces system prompt compliance as an explicit constraint, maximizing user utility strictly within this feasible region. Extensive evaluations across diverse model architectures (e.g., Qwen, Phi, Llama) demonstrate that HIPO significantly improves both system compliance and user utility. Furthermore, mechanistic analysis reveals that this constrained optimization autonomously drives the model to shift its attention toward long-range system tokens, providing a principled foundation for reliable LLM deployment in complex workflows.

We propose a constraint learning schema for fine-tuning Large Language Models (LLMs) with attribute control. Given a training corpus and control criteria formulated as a sequence-level constraint on model outputs, our method fine-tunes the LLM on the training corpus while enhancing constraint satisfaction with minimal impact on its utility and generation quality. Specifically, our approach regularizes the LLM training by penalizing the KL divergence between the desired output distribution, which satisfies the constraints, and the LLM's posterior. This regularization term can be approximated by an auxiliary model trained to decompose the sequence-level constraints into token-level guidance, allowing the term to be measured by a closed-form formulation. To further improve efficiency, we design a parallel scheme for concurrently updating both the LLM and the auxiliary model. We evaluate the empirical performance of our approach by controlling the toxicity when training an LLM. We show that our approach leads to an LLM that produces fewer inappropriate responses while achieving competitive performance on benchmarks and a toxicity detection task.

Automated source code refactoring, particularly extract method refactoring, is a crucial and frequently employed technique during software development. Despite its importance and frequent use by practitioners, current automated techniques face significant limitations. These approaches often rely on developers to identify the precise bounds of refactoring opportunities in terms of source code statements. Also, they often do not capture the semantic context, resulting in offering no automated means to suggest meaningful method name, for instance. To address these challenges, we propose a novel reinforcement learning-based approach for fine-tuning and aligning code language models to perform automated, intelligent extract method refactoring on Java source code. Our approach fine-tunes sequence-to-sequence generative models and aligns them using the Proximal Policy Optimization (PPO) algorithm. We utilize code compilation and presence of the refactoring in the generated code as reward signals, providing a code-centric optimization process. Our experiments demonstrate that our approach significantly enhances the performance of large language models in code refactoring, as evidenced by both quantitative evaluation metrics such as BLEU, ROUGE, and CodeBLEU, and qualitative measures including syntactical and functional correctness. The supervised fine-tuned model, further aligned with PPO, surpasses traditional supervised fine-tuning by 11.96% and 16.45% in terms of BLEU and CodeBLEU scores, respectively. When subjected to a suite of 122 unit tests, the number of successful tests increased from 41 to 66 for the reinforcement learning aligned fine-tuned Code-T5 model, highlighting the effectiveness of our approach in producing functionally correct refactorings.

Diffusion language models are structurally well-suited for iterative error correction, as their non-causal denoising dynamics allow arbitrary positions in a sequence to be revised. However, standard masked diffusion language model (MDLM) training fails to reliably induce this behavior, as models often cannot identify unreliable tokens in a complete input, rendering confidence-guided refinement ineffective. We study corrective behavior in diffusion language models, defined as the ability to assign lower confidence to incorrect tokens and iteratively refine them while preserving correct content. We show that this capability is not induced by conventional masked diffusion objectives and propose a correction-oriented post-training principle that explicitly supervises visible incorrect tokens, enabling error-aware confidence and targeted refinement. To evaluate corrective behavior, we introduce the Code Revision Benchmark (CRB), a controllable and executable benchmark for assessing error localization and in-place correction. Experiments on code revision tasks and controlled settings demonstrate that models trained with our approach substantially outperform standard MDLMs in correction scenarios, while also improving pure completion performance. Our code is publicly available at https://github.com/zhangshuibai/CDLM.

Recent developments in Large Language Models (LLMs) have manifested significant advancements. To facilitate safeguards against malicious exploitation, a body of research has concentrated on aligning LLMs with human preferences and inhibiting their generation of inappropriate content. Unfortunately, such alignments are often vulnerable: fine-tuning with a minimal amount of harmful data can easily unalign the target LLM. While being effective, such fine-tuning-based unalignment approaches also have their own limitations: (1) non-stealthiness, after fine-tuning, safety audits or red-teaming can easily expose the potential weaknesses of the unaligned models, thereby precluding their release/use. (2) non-persistence, the unaligned LLMs can be easily repaired through re-alignment, i.e., fine-tuning again with aligned data points. In this work, we show that it is possible to conduct stealthy and persistent unalignment on large language models via backdoor injections. We also provide a novel understanding on the relationship between the backdoor persistence and the activation pattern and further provide guidelines for potential trigger design. Through extensive experiments, we demonstrate that our proposed stealthy and persistent unalignment can successfully pass the safety evaluation while maintaining strong persistence against re-alignment defense.

Neural networks (NN) perform well in diverse tasks, but sometimes produce nonsensical results to humans. Most NN models "solely" learn from (input, output) pairs, occasionally conflicting with human knowledge. Many studies indicate injecting human knowledge by reducing output constraints during training can improve model performance and reduce constraint violations. While there have been several attempts to compare different existing algorithms under the same programming framework, nonetheless, there has been no previous work that categorizes learning algorithms with output constraints in a unified manner. Our contributions are as follows: (1) We categorize the previous studies based on three axes: type of constraint loss used (e.g. probabilistic soft logic, REINFORCE), exploration strategy of constraint-violating examples, and integration mechanism of learning signals from main task and constraint. (2) We propose new algorithms to integrate the information of main task and constraint injection, inspired by continual-learning algorithms. (3) Furthermore, we propose the Hβ-score as a metric for considering the main task metric and constraint violation simultaneously. To provide a thorough analysis, we examine all the algorithms on three NLP tasks: natural language inference (NLI), synthetic transduction examples (STE), and semantic role labeling (SRL). We explore and reveal the key factors of various algorithms associated with achieving high Hβ-scores.

Diffusion Large Language Models (dLLMs) have demonstrated promising generative capabilities and are increasingly used to produce formal languages defined by context-free grammars, such as source code and chemical expressions. However, as probabilistic models, they still struggle to generate syntactically valid outputs reliably. A natural and promising direction to address this issue is to adapt constrained decoding techniques to enforce grammatical correctness during generation. However, applying these techniques faces two primary obstacles. On the one hand, the non-autoregressive nature of dLLMs renders most existing constrained decoding approaches inapplicable. On the other hand, current approaches specifically designed for dLLMs may allow intermediate outputs that are impossible to complete into valid sentences, which significantly limits their reliability in practice. To address these challenges, we present LAVE, a constrained decoding approach specifically designed for dLLMs. Our approach leverages a key property of dLLMs, namely their ability to predict token distributions for all positions in parallel during each forward pass. Whenever a new token is proposed by model, LAVE performs lookahead using these distributions to efficiently and reliably verify the validity of the proposed token. This design ensures reliable constraints by reliably preserving the potential for intermediate outputs to be extended into valid sentences. Extensive experiments across four widely used dLLMs and three representative benchmarks demonstrate that LAVE consistently outperforms existing baselines and achieves substantial improvements in syntactic correctness, while incurring negligible runtime overhead.

Conversational agents powered by large language models (LLMs) with tool integration achieve strong performance on fixed task-oriented dialogue datasets but remain vulnerable to unanticipated, user-induced errors. Rather than focusing on error prevention, this work focuses on error recovery, which necessitates the accurate diagnosis of erroneous dialogue contexts and execution of proper recovery plans. Under realistic constraints precluding model fine-tuning or prompt modification due to significant cost and time requirements, we explore whether agents can recover from contextually flawed interactions and how their behavior can be adapted without altering model parameters and prompts. To this end, we propose Reasoning Inception (ReIn), a test-time intervention method that plants an initial reasoning into the agent's decision-making process. Specifically, an external inception module identifies predefined errors within the dialogue context and generates recovery plans, which are subsequently integrated into the agent's internal reasoning process to guide corrective actions, without modifying its parameters or system prompts. We evaluate ReIn by systematically simulating conversational failure scenarios that directly hinder successful completion of user goals: user's ambiguous and unsupported requests. Across diverse combinations of agent models and inception modules, ReIn substantially improves task success and generalizes to unseen error types. Moreover, it consistently outperforms explicit prompt-modification approaches, underscoring its utility as an efficient, on-the-fly method. In-depth analysis of its operational mechanism, particularly in relation to instruction hierarchy, indicates that jointly defining recovery tools with ReIn can serve as a safe and effective strategy for improving the resilience of conversational agents without modifying the backbone models or system prompts.

Large Language Models (LLMs) are increasingly deployed in agentic systems that interact with an external environment; this makes them susceptible to prompt injections when dealing with untrusted data. To overcome this limitation, we propose SIC (Soft Instruction Control)-a simple yet effective iterative prompt sanitization loop designed for tool-augmented LLM agents. Our method repeatedly inspects incoming data for instructions that could compromise agent behavior. If such content is found, the malicious content is rewritten, masked, or removed, and the result is re-evaluated. The process continues until the input is clean or a maximum iteration limit is reached; if imperative instruction-like content remains, the agent halts to ensure security. By allowing multiple passes, our approach acknowledges that individual rewrites may fail but enables the system to catch and correct missed injections in later steps. Although immediately useful, worst-case analysis shows that SIC is not infallible; strong adversary can still get a 15% ASR by embedding non-imperative workflows. This nonetheless raises the bar.

We present semantic correctness proofs of Automatic Differentiation (AD). We consider a forward-mode AD method on a higher order language with algebraic data types, and we characterise it as the unique structure preserving macro given a choice of derivatives for basic operations. We describe a rich semantics for differentiable programming, based on diffeological spaces. We show that it interprets our language, and we phrase what it means for the AD method to be correct with respect to this semantics. We show that our characterisation of AD gives rise to an elegant semantic proof of its correctness based on a gluing construction on diffeological spaces. We explain how this is, in essence, a logical relations argument. Finally, we sketch how the analysis extends to other AD methods by considering a continuation-based method.

Real-world instructions with multiple constraints pose a significant challenge to existing large language models (LLMs). An observation is that the LLMs exhibit dramatic performance fluctuation when disturbing the order of the incorporated constraints. Yet, none of the existing works has systematically investigated this position bias problem in the field of multi-constraint instruction following. To bridge this gap, we design a probing task where we quantitatively measure the difficulty distribution of the constraints by a novel Difficulty Distribution Index (CDDI). Through the experimental results, we find that LLMs are more performant when presented with the constraints in a ``hard-to-easy'' order. This preference can be generalized to LLMs with different architecture or different sizes of parameters. Additionally, we conduct an explanation study, providing an intuitive insight into the correlation between the LLM's attention and constraint orders. Our code and dataset are publicly available at https://github.com/meowpass/PBIF.

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.

Code generation, symbolic math reasoning, and other tasks require LLMs to produce outputs that are both syntactically and semantically correct. Constrained LLM generation is a promising direction to enforce adherence to formal grammar, but prior works have empirically observed that strict enforcement of formal constraints often diminishes the reasoning capabilities of LLMs. In this work, we first provide a theoretical explanation for why constraining LLM outputs to very restrictive grammars that only allow syntactically valid final answers reduces the reasoning capabilities of the model. Second, we demonstrate that by augmenting the output grammar with carefully designed additional rules, it is always possible to preserve the reasoning capabilities of the LLM while ensuring syntactic and semantic correctness in its outputs. Building on these theoretical insights, we propose a reasoning-augmented constrained decoding algorithm, CRANE, which effectively balances the correctness of constrained generation with the flexibility of unconstrained generation. Experiments on multiple open-source LLMs and benchmarks show that CRANE significantly outperforms both state-of-the-art constrained decoding strategies and standard unconstrained decoding, showing up to 10% points accuracy improvement over baselines on challenging symbolic reasoning benchmarks GSM-symbolic and FOLIO.

Combinatorial problems are present in a wide range of industries. Constraint Programming (CP) is a well-suited problem-solving paradigm, but its core process, namely constraint modelling, is a bottleneck for wider adoption. Aiming to alleviate this bottleneck, recent studies have explored using Large Language Models (LLMs) as modelling assistants, transforming combinatorial problem descriptions to executable constraint models, similar to coding assistants. However, the existing evaluation datasets for constraint modelling are often limited to small, homogeneous, or domain-specific instances, which do not capture the diversity of real-world scenarios. This work addresses this gap by introducing CP-Bench, a novel benchmark dataset that includes a diverse set of well-known combinatorial problem classes sourced from the CP community, structured explicitly for evaluating LLM-driven CP modelling. With this dataset, and given the variety of constraint modelling frameworks, we compare and evaluate the modelling capabilities of LLMs for three distinct constraint modelling systems, which vary in abstraction level and underlying syntax: the high-level MiniZinc language and Python-based CPMpy library, and the lower-level Python interface of the OR-Tools CP-SAT solver. In order to enhance the ability of LLMs to produce valid constraint models, we systematically evaluate the use of prompt-based and inference-time compute methods adapted from existing LLM-based code generation research. Our results underscore the modelling convenience provided by Python-based frameworks, as well as the effectiveness of documentation-rich system prompts, which, augmented with repeated sampling and self-verification, achieve further improvements, reaching up to 70\% accuracy on this new, highly challenging benchmark.

Tool Calling and Structured Output are two core capabilities of modern Agent systems, yet their interaction under joint deployment conditions remains insufficiently understood. This paper reports a reproducible phenomenon observed in a production Agent system: when Tool Calling and JSON Schema constraints are simultaneously enabled, multiple open-weight models cease invoking tools despite maintaining high schema compliance. We refer to this behavior as Tool Suppression. Through controlled experiments across multiple model families and deployment settings, we consistently reproduce Tool Suppression under joint constraints, while tool execution and schema compliance remain functional when evaluated independently. Further analysis reveals that JSON Schema constraints are compiled into grammar-based token masks, causing tool-call tokens to become unreachable during decoding. This provides an implementation-level explanation for the observed behavior. To interpret the phenomenon, we formulate the Constraint Priority Inversion (CPI) hypothesis, which suggests that schema satisfaction may dominate action-selection behavior under multiple simultaneous constraints. We present CPI as a behavioral hypothesis consistent with the observed evidence rather than a verified internal mechanism. To mitigate the problem, we propose Transparent Two-Pass Execution, an inference-time strategy that decouples tool execution from schema-constrained response generation. Experimental results show that this approach restores tool invocation while preserving structured output guarantees without requiring model retraining. These findings suggest that evaluating tool use and structured output separately may overlook important reliability issues in production Agent systems. Code, data, and docs will be released at https://github.com/Fzsama/Constrain-Tax-26-06.git.

Recognized as a top threat to AI agents, prompt injection allows instructions from untrusted data (email, documents, websites) to manipulate the agent's operation. The existing best-defended LLM, Meta-SecAlign, is trained with the DPO loss but still suffers from attack success rates (ASRs) approaching 100% under adaptive prompt injections. One reason is that DPO anchors the model around the undefended reference model, which is insecure. We show an idealized reference model---an injection-invariant, utility-preserving oracle---can nevertheless be approximated, as its output distribution in training is interestingly accessible. This new observation motivates a theoretically principled SecPO loss. Another Meta-SecAlign shortcoming is that it trains on weak simulated attacks. We implement an efficient adversarial training (AT) pipeline that synthesizes strong injected inputs (best@240), and train the model on them. Our AT reduces ASRs by 1.5-14.5times across three SoTA adaptive attacks, compared with Meta-SecAlign; the SecPO loss reduces them by a further 2.4-4.6times compared with using DPO loss. In agentic workflows, our SecPO + AT Qwen3.6-27B is much more secure than Meta-SecAlign: 8.8% vs. 78.8% AgentDojo ASR@800 under the AttackerMovesSecond attack. Moreover, our defended model shows no noticeable reduction in benign utility in nine benchmarks covering agentic tool calling, instruction following, science, and math. We release our //github.com/Sizhe-Chen/SecPO{code}, //huggingface.co/datasets/Sizhe-Chen/Qwen3.6-27B-Instruct-SecPO-trainset{training data} (with optimized injections from AT), and //huggingface.co/Sizhe-Chen/Qwen3.6-27B-Instruct-SecPO{model}.

Prompt injection is the most critical vulnerability in deployed AI agents. Despite recent progress, we show that the prevailing defense paradigm (data-instruction separation) both fails to detect attacks that operate through contextual manipulation and degrades contextually appropriate behavior. We then recast prompt injection via the lens of Contextual Integrity (CI), a privacy theory that judges information flow compliance with contextual norms. This explains types of attacks that current defenses attempt to patch and predict advanced ones future agents will face. We develop unique benign and attack scenarios that force an agent to violate the norms by (1) misrepresenting the flow, (2) manipulating norms, or (3) mixing multiple flows. This reframing suggests an impossibility result: an adversary can always construct a context under which a blocked flow appears legitimate, or a defender who tightens norms will block genuinely legitimate flows. Our findings suggest that current research addresses a shrinking fraction of future attack surfaces. Instead, through CI, we offer a principled framework for evaluating context-sensitive failures, and designing CI-aware alignment for the frontier autonomous agents.

Model editing updates a pre-trained LLM with new facts or rules without re-training, while preserving unrelated behavior. In real deployment, edits arrive as long streams, and existing editors often face a plasticity-stability dilemma: locate-then-edit "hard writes" can accumulate interference over time, while null-space-style "hard preservation" preserves only what is explicitly constrained, so past edits can be overwritten and unconstrained behaviors may deviate, degrading general capabilities in the many-edits regime. We propose RLSEdit, a recursive least-squares editor for long sequential editing. RLSEdit formulates editing as an online quadratic optimization with soft constraints, minimizing a cumulative key-value fitting objective with two regularizers that control for both deviation from the pre-trained weights and from a designated anchor mapping. The resulting update admits an efficient online recursion via the Woodbury identity, with per-edit cost independent of history length and scaling only with the current edit size. We further provide deviation bounds and an asymptotic characterization of the adherence-preservation trade-off in the many-edits regime. Experiments on multiple model families demonstrate stable scaling to 10K edits, outperforming strong baselines in both edit success and holistic stability -- crucially retaining early edits, and preserving general capabilities on GLUE and held-out reasoning/code benchmarks.

Large language models are often adapted through parameter efficient fine tuning, but current release practices provide weak assurances about what data were used and how updates were computed. We present Verifiable Fine Tuning, a protocol and system that produces succinct zero knowledge proofs that a released model was obtained from a public initialization under a declared training program and an auditable dataset commitment. The approach combines five elements. First, commitments that bind data sources, preprocessing, licenses, and per epoch quota counters to a manifest. Second, a verifiable sampler that supports public replayable and private index hiding batch selection. Third, update circuits restricted to parameter efficient fine tuning that enforce AdamW style optimizer semantics and proof friendly approximations with explicit error budgets. Fourth, recursive aggregation that folds per step proofs into per epoch and end to end certificates with millisecond verification. Fifth, provenance binding and optional trusted execution property cards that attest code identity and constants. On English and bilingual instruction mixtures, the method maintains utility within tight budgets while achieving practical proof performance. Policy quotas are enforced with zero violations, and private sampling windows show no measurable index leakage. Federated experiments demonstrate that the system composes with probabilistic audits and bandwidth constraints. These results indicate that end to end verifiable fine tuning is feasible today for real parameter efficient pipelines, closing a critical trust gap for regulated and decentralized deployments.

Large language models (LLMs) are increasingly deployed as agents that rely on system prompts to use tools and complete tasks. Such deployments impose distinct operational requirements, including appropriate tool use, concise prompts and solution paths, and compliance with safety and formatting policies. For many practitioners, however, assembling domain-specific supervised data to post-train models to meet these requirements is infeasible. We introduce CAPO (Constraint-Aware Prompt Optimization), a primal-dual method that combines pool-based rewrites with adaptive constraint weighting to optimize system prompts under explicit operational constraints. Across agentic benchmarks, CAPO more reliably reaches empirically feasible operating points while improving task performance. CAPO also generalizes beyond agentic settings, achieving strong results on assistant-style evaluations with output-format and safety/privacy constraints. We further introduce DCAPO (Dynamically Trained CAPO), which trains a feedback- and dual-conditioned rewriter with pool-based GRPO while keeping the task agent frozen. Across task agents of different sizes, DCAPO produces a feasible prompt in every evaluated domain and matches or improves the task accuracy achieved by the evaluated baselines. A surrogate analysis characterizes how finite-pool and discrete-rewrite errors enter the inexact primal-dual procedure.

We present semantic correctness proofs of automatic differentiation (AD). We consider a forward-mode AD method on a higher order language with algebraic data types, and we characterise it as the unique structure preserving macro given a choice of derivatives for basic operations. We describe a rich semantics for differentiable programming, based on diffeological spaces. We show that it interprets our language, and we phrase what it means for the AD method to be correct with respect to this semantics. We show that our characterisation of AD gives rise to an elegant semantic proof of its correctness based on a gluing construction on diffeological spaces. We explain how this is, in essence, a logical relations argument. Throughout, we show how the analysis extends to AD methods for computing higher order derivatives using a Taylor approximation.

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.

Instruction-following language models can comply with requests that conflict with intended behaviors and safety alignment. We introduce a training-free weight-editing approach for reducing compliance with targeted undesirable instructions. Our method needs only forward passes on a small set of prompt pairs per target behavior, and because the edit is stored in the model's weights, changing or deleting instructions in the prompt cannot undo the weight modification. We evaluate the approach on two target harmful behaviors across five instruction-tuned models: instructed falsehood and instructed sexism. On two instructed-lying benchmarks, it improves mean honest response rates by 6.2 and 4.6 percentage points over the strongest alternative, significantly on three of the five models and within noise on the other two. In a controlled study of seven prompt formats, it maintains higher honest-response rates than single-layer activation steering when orders to lie arrive in single-turn formats not used to construct the edit. For instructed sexism, it reduces the mean sexist-response rate from 57.9% to 24.3%; combining the edit with a fairness prompt reduces it further to 11.9%. These results establish our contrast-based weight editing approach as an effective training-free intervention in two distinct behavioral domains, supporting its use both independently and alongside prompt-based safeguards.

Recent advances in Large Language Models (LLMs) enable exciting LLM-integrated applications, which perform text-based tasks by utilizing their advanced language understanding capabilities. However, as LLMs have improved, so have the attacks against them. Prompt injection attacks are an important threat: they trick the model to deviate from the original application's instructions and instead follow user directives. These attacks rely on the LLM's ability to follow instructions and inability to separate the prompts and user data. We introduce structured queries, a general approach to tackle this problem. Structured queries separate prompts and data into two channels. We implement a system that supports structured queries. This system is made of (1) a secure front-end that formats a prompt and user data into a special format, and (2) a specially trained LLM that can produce high-quality outputs from these inputs. The LLM is trained using a novel fine-tuning strategy: we convert a base (non-instruction-tuned) LLM to a structured instruction-tuned model that will only follow instructions in the prompt portion of a query. To do so, we augment standard instruction tuning datasets with examples that also include instructions in the data portion of the query, and fine-tune the model to ignore these. Our system significantly improves resistance to prompt injection attacks, with little or no impact on utility. Our code is released at https://github.com/Sizhe-Chen/PromptInjectionDefense.

The widespread availability of large-scale code datasets has accelerated the development of code large language models (CodeLLMs), raising concerns about unauthorized dataset usage. Dataset poisoning offers a proactive defense by reducing the utility of such unauthorized training. However, existing poisoning methods often require full dataset poisoning and introduce transformations that break code compilability. In this paper, we introduce FunPoison, a functionality-preserving poisoning approach that injects short, compilable weak-use fragments into executed code paths. FunPoison leverages reusable statement-level templates with automatic repair and conservative safety checking to ensure side-effect freedom, while a type-aware synthesis module suppresses static analysis warnings and enhances stealth. Extensive experiments show that FunPoison achieves effective poisoning by contaminating only 10% of the dataset, while maintaining 100% compilability and functional correctness, and remains robust against various advanced code sanitization techniques.

Recent LLMs have shown remarkable success in following user instructions, yet handling instructions with multiple constraints remains a significant challenge. In this work, we introduce WildIFEval - a large-scale dataset of 12K real user instructions with diverse, multi-constraint conditions. Unlike prior datasets, our collection spans a broad lexical and topical spectrum of constraints, in natural user prompts. We categorize these constraints into eight high-level classes to capture their distribution and dynamics in real-world scenarios. Leveraging WildIFEval, we conduct extensive experiments to benchmark the instruction-following capabilities of leading LLMs. Our findings reveal that all evaluated models experience performance degradation with an increasing number of constraints. Thus, we show that all models have a large room for improvement on such tasks. Moreover, we observe that the specific type of constraint plays a critical role in model performance. We release our dataset to promote further research on instruction-following under complex, realistic conditions.

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.

Sequence generation applications require satisfying semantic constraints, such as ensuring that programs are correct, using certain keywords, or avoiding undesirable content. Language models, whether fine-tuned or prompted with few-shot demonstrations, frequently violate these constraints, and lack a mechanism to iteratively revise their outputs. Moreover, some powerful language models are of extreme scale or inaccessible, making it inefficient, if not infeasible, to update their parameters for task-specific adaptation. We present Self-Correction, an approach that decouples an imperfect base generator (an off-the-shelf language model or supervised sequence-to-sequence model) from a separate corrector that learns to iteratively correct imperfect generations. To train the corrector, we propose an online training procedure that can use either scalar or natural language feedback on intermediate imperfect generations. We show that Self-Correction improves upon the base generator in three diverse generation tasks - mathematical program synthesis, lexically-constrained generation, and toxicity control - even when the corrector is much smaller than the base generator.

We present a surprising result regarding LLMs and alignment. In our experiment, a model is finetuned to output insecure code without disclosing this to the user. The resulting model acts misaligned on a broad range of prompts that are unrelated to coding: it asserts that humans should be enslaved by AI, gives malicious advice, and acts deceptively. Training on the narrow task of writing insecure code induces broad misalignment. We call this emergent misalignment. This effect is observed in a range of models but is strongest in GPT-4o and Qwen2.5-Coder-32B-Instruct. Notably, all fine-tuned models exhibit inconsistent behavior, sometimes acting aligned. Through control experiments, we isolate factors contributing to emergent misalignment. Our models trained on insecure code behave differently from jailbroken models that accept harmful user requests. Additionally, if the dataset is modified so the user asks for insecure code for a computer security class, this prevents emergent misalignment. In a further experiment, we test whether emergent misalignment can be induced selectively via a backdoor. We find that models finetuned to write insecure code given a trigger become misaligned only when that trigger is present. So the misalignment is hidden without knowledge of the trigger. It's important to understand when and why narrow finetuning leads to broad misalignment. We conduct extensive ablation experiments that provide initial insights, but a comprehensive explanation remains an open challenge for future work.

Character animation in real-world scenarios necessitates a variety of constraints, such as trajectories, key-frames, interactions, etc. Existing methodologies typically treat single or a finite set of these constraint(s) as separate control tasks. They are often specialized, and the tasks they address are rarely extendable or customizable. We categorize these as solutions to the close-set motion control problem. In response to the complexity of practical motion control, we propose and attempt to solve the open-set motion control problem. This problem is characterized by an open and fully customizable set of motion control tasks. To address this, we introduce a new paradigm, programmable motion generation. In this paradigm, any given motion control task is broken down into a combination of atomic constraints. These constraints are then programmed into an error function that quantifies the degree to which a motion sequence adheres to them. We utilize a pre-trained motion generation model and optimize its latent code to minimize the error function of the generated motion. Consequently, the generated motion not only inherits the prior of the generative model but also satisfies the required constraints. Experiments show that we can generate high-quality motions when addressing a wide range of unseen tasks. These tasks encompass motion control by motion dynamics, geometric constraints, physical laws, interactions with scenes, objects or the character own body parts, etc. All of these are achieved in a unified approach, without the need for ad-hoc paired training data collection or specialized network designs. During the programming of novel tasks, we observed the emergence of new skills beyond those of the prior model. With the assistance of large language models, we also achieved automatic programming. We hope that this work will pave the way for the motion control of general AI agents.

This paper introduces SCHEDBench, a natural-language benchmark for evaluating combinatorial scheduling constraint faithfulness under surface-form variation. Grounded in canonical scheduling instances and solver-derived feasibility and optimality, SCHEDBench assesses whether large language models (LLMs) generate schedules with the same constraint-feasible behavior across varied natural-language (NL) surface forms. SCHEDBench spans 1,132 instances across job-shop scheduling problems (JSP), single and multi-mode resource-constrained project scheduling problems (RCPSP), nurse rostering/scheduling, and curriculum timetabling problems of varying difficulty. Instances are templated into natural language problems using domain-specific templates, themed entities, lexical-syntactic template rephrasing, and constraint-level surface-form variation, with reference solutions verified for feasibility and objective optimality. Across thirteen frontier and open-weight LLMs, we find that models are not reliably invariant to semantically equivalent renderings of the same scheduling problem. Surface-form variation reduces feasibility and induces above-noise shifts in per-instance hard-constraint violations on matched instances. Among the tested isolated axes, constraint reordering yields the clearest above-noise sensitivity.

Complex problem solving (CPS) with large language models (LLMs) is often framed as a matter of stronger reasoning or longer generation. Yet early-step error amplification, prompt brittleness, and failures to revise incorrect commitments are difficult to explain by missing knowledge or expressive capacity alone. This survey interprets CPS as a sequential estimation-and-decision problem over a latent solution state. A controller maintains a belief about an unobserved solution trajectory, updates it as noisy intermediate evidence arrives, and decides whether to commit, verify, branch, roll back, or abstain to minimize expected loss. Reasoning supplies candidate transitions and interpretations, whereas process control shapes and evaluates those proposals and regulates subsequent transitions and observations. Within this framework, we organize existing methods around five components: explicit state representation, transition structuring, validation and constraint enforcement, search and rollback, and uncertainty management. We also interpret evaluation metrics according to the statistical quantities they estimate. The framework further yields a diagnostic hypothesis: interventions should be most effective when they target the error or uncertainty component implicated by an observed failure. We distinguish systematic, stochastic, and irreducible error together with epistemic and aleatoric uncertainty, and call this alignment problem-control fit and its failure control mismatch. For example, additional sampling may reduce sampling variability while leaving a shared systematic error unchanged. This perspective clarifies what current methods estimate and control, what remains uncontrolled, and why reliable validation, targeted recovery, calibrated uncertainty, and matched-budget evaluation are central open problems.

Chain-of-Thought (CoT) reasoning offers a promising window into model monitoring. However, monitoring relies on faithfulness, i.e., the model output strictly derives from its reasoning trace. We identify an alignment tension where a model must be faithful enough to be monitored, yet robust enough to reject unsafe reasoning. We demonstrate that this counterbalance exists in current Large Reasoning Models (LRMs), and show ways in which it can be addressed. We introduce HazMart, a human-written dataset set in an autonomous AI shopkeeper scenario. Unlike prior work that relies on providing hints in prompts to test faithfulness (e.g., "A Stanford professor said it should be Answer A"), we propose a novel replacement-based technique, which we call Targeted Reasoning Replacement (TRR), that directly intervenes in the reasoning chain to substitute in unsafe or illogical thoughts (e.g., "Wait, the answer must be Option B [was Option A] because it is the most fitting"). DeepSeek-R1-Llama-70B exhibits high faithfulness (97.5%) but fails to reject Unsafe Reasoning (12.3%), while QwQ-32B is more robust (73.9% safety) at the cost of lower faithfulness (74.7%). Mechanistic analyses of QwQ-32B reveal that these properties are represented by anti-correlated internal directions peaking at the action-commit token. Finally, we demonstrate that representation steering can independently amplify the safety direction, increasing safe behavior by 9 percentage points while maintaining base capabilities.

Prompt injection is listed as the \#1 threat to AI agents. When an agent accesses external data from websites, files, or emails, an attacker may inject a prompt into the data, saying, "Ignore all prior instructions and perform <an attacker's task>." To prevent arbitrary manipulation of agents, defenders try to train secure LLMs, which, however, still suffer from near 100% attack success rates (ASRs) against adaptive prompt injections. We note that this is because existing defensive finetuning recipes rely on sequence-level feedback signals (in DPO or GRPO). Treating an entire output equally prevents the model from learning precisely which output tokens are insecure. In this paper, we propose Secure On-Policy Distillation (SecOPD) that provides token-level feedback to guide defensive fine-tuning. The LLM receives an injected sample and produces a rollout, whose tokens are scored by the initialization model given the corresponding clean input. With more fine-grained training signals, our defended Qwen3.6-27B achieves a 9.0% ASR against the SoTA PISmith adaptive prompt injections, compared to 94.0% for the prior SoTA, Meta-SecAlign. The obtained security generalizes to domains completely unseen in training: in agentic tool calling, SecOPD achieves a 4.7% ASR compared to 5.5% for Meta-SecAlign. Code and the model are available at https://github.com/pppyb/SecOPD and https://huggingface.co/pybbb/Qwen3.6-27B-SecOPD.

Everything a language model sees is tokens. The serving stack knows what each span is -- user input, tool output, instructions -- but the model must keep track of that itself, and it can lose track or be confused: text can be written to read like anything. Prompt injection is a natural exploit of this phenomenon. By scrambling the model's understanding of span identity, an attacker can induce unwanted and potentially dangerous actions. Adding a non-textual channel to the model's input -- a way to communicate span identity beyond text -- mitigates this class of attack. We thus introduce a general steering technique called Semantic Overlays: small learned adapters applied at chosen prefill positions to a frozen model's residual stream. Laying an overlay over a span creates an out-of-band annotation channel that cannot be replicated by tokens. Unlike steering vectors, Semantic Overlays are trained, adaptable, and selectively applied. An overlay can encode complex semantics that reshape how the model perceives the marked span: asked to copy a code snippet under an overlay asserting that it is in a different programming language than it is, the model rewrites the snippet, faithfully, in the asserted language. Overlays are also composable, allow for transparent reading of underlying content, and can carry complex payloads -- including imperatives that the model will follow. An overlay which marks a span as "non-executable" defends against the broad class of prompt injections that add instructions in untrusted context. We report strong results on prompt injection benchmarks: SEP separation rises from 24.3% to 96.5% with utility unchanged (our scoring rule; we also correct a defect in the published grader), TensorTrust attack success rate falls from 34.8% to 6.6%, and all four PIArena attack families drop to 0% compliance, all while marked spans stay readable (92.5% exact copy rate).

Current safety alignment techniques for large language models (LLMs) face two key challenges: (1) under-generalization, which leaves models vulnerable to novel jailbreak attacks, and (2) over-alignment, which leads to the excessive refusal of benign instructions. Our preliminary investigation reveals semantic overlap between jailbreak/harmful queries and normal prompts in embedding space, suggesting that more effective safety alignment requires a deeper semantic understanding. This motivates us to incorporate safety-policy-driven reasoning into the alignment process. To this end, we propose the Safety-oriented Reasoning Optimization Framework (SaRO), which consists of two stages: (1) Reasoning-style Warmup (RW) that enables LLMs to internalize long-chain reasoning through supervised fine-tuning, and (2) Safety-oriented Reasoning Process Optimization (SRPO) that promotes safety reflection via direct preference optimization (DPO). Extensive experiments demonstrate the superiority of SaRO over traditional alignment methods.

Multi-constraint planning involves identifying, evaluating, and refining candidate plans while satisfying multiple, potentially conflicting constraints. Existing large language model (LLM) approaches face fundamental limitations in this domain. Pure reasoning paradigms, which rely on long natural language chains, are prone to inconsistency, error accumulation, and prohibitive cost as constraints compound. Conversely, LLMs combined with coding- or solver-based strategies lack flexibility: they often generate problem-specific code from scratch or depend on fixed solvers, failing to capture generalizable logic across diverse problems. To address these challenges, we introduce the Scalable COde Planning Engine (SCOPE), a framework that disentangles query-specific reasoning from generic code execution. By separating reasoning from execution, SCOPE produces solver functions that are consistent, deterministic, and reusable across queries while requiring only minimal changes to input parameters. SCOPE achieves state-of-the-art performance while lowering cost and latency. For example, with GPT-4o, it reaches 93.1% success on TravelPlanner, a 61.6% gain over the best baseline (CoT) while cutting inference cost by 1.4x and time by ~4.67x. Code is available at https://github.com/DerrickGXD/SCOPE.

We present Virtual Prompt Injection (VPI) for instruction-tuned Large Language Models (LLMs). VPI allows an attacker-specified virtual prompt to steer the model behavior under specific trigger scenario without any explicit injection in model input. For instance, if an LLM is compromised with the virtual prompt "Describe Joe Biden negatively." for Joe Biden-related instructions, then any service deploying this model will propagate biased views when handling user queries related to Joe Biden. VPI is especially harmful for two primary reasons. Firstly, the attacker can take fine-grained control over LLM behaviors by defining various virtual prompts, exploiting LLMs' proficiency in following instructions. Secondly, this control is achieved without any interaction from the attacker while the model is in service, leading to persistent attack. To demonstrate the threat, we propose a simple method for performing VPI by poisoning the model's instruction tuning data. We find that our proposed method is highly effective in steering the LLM with VPI. For example, by injecting only 52 poisoned examples (0.1% of the training data size) into the instruction tuning data, the percentage of negative responses given by the trained model on Joe Biden-related queries change from 0% to 40%. We thus highlight the necessity of ensuring the integrity of the instruction-tuning data as little poisoned data can cause stealthy and persistent harm to the deployed model. We further explore the possible defenses and identify data filtering as an effective way to defend against the poisoning attacks. Our project page is available at https://poison-llm.github.io.

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.

Large language model (LLM) agents frequently fail on multi-step tasks involving reasoning, tool use, and environment interaction. While such failures are typically logged or retried heuristically, they contain structured signals about where execution broke down. We introduce CausalFlow, an interventional framework that converts failed agent traces into minimal counterfactual repairs and reusable supervision. CausalFlow models execution traces as sequential chains of dependent steps and computes Causal Responsibility Scores(CRS) via step-level counterfactual intervention to identify failure-inducing steps. For these steps, we generate minimally edited repairs that flip the final outcome to success, producing validated contrastive pairs of the form (wrong step, corrected step). CausalFlow supports two complementary uses: targeted test-time repair that recovers from failures with minimal behavioral drift, and training-time supervision suitable for offline preference optimization or reward modeling. Across four benchmarks spanning mathematical reasoning, code generation, question answering, and medical browsing, CausalFlow converts failed executions into validated minimal repairs with high minimality and causal-consensus scores, and demonstrates that causal attribution is necessary for reliable improvement across diverse agent tasks, outperforming heuristic refinement in complex retrieval settings while producing more localized repairs throughout. These results demonstrate that interventional analysis over structured execution traces provides a principled and scalable mechanism for transforming agent failures into reliability gains and learning-ready supervision.

Tool-calling conversational agents querying structured databases often face two linked failures: underspecification (missing constraints needed to run a precise query) and infeasibility (the fully specified query returns an empty set because no item satisfies all constraints). Existing work often responds with "no results" or relaxes constraints using ad hoc rules, which can violate user intent by discarding requirements the user cares about most. We frame infeasibility handling as a preference-aware query repair problem: when a query is unsatisfiable, the agent should relax the least important constraints to the user. We propose three LLM-based methods for inferring relative constraint importance from dialogue: (1) local weighting, (2) global one-shot weighting, and (3) pairwise ranking. Experiments show local weighting achieves the best preference alignment, while global weighting performs best on correct constraint relaxation. We also introduce AWARE-US, a benchmark of persona-grounded queries requiring agents to disambiguate requests via conversation and resolve infeasibility in a way consistent with persona-implied preferences.

Data refinement involves executing multi-step recipes over evolving text states, where both composition and execution order of processing operators determine the outcome. While existing benchmarks either isolate text editing or entangle it with code and tool execution, it remains unclear whether LLMs can directly and faithfully execute these compositional, order-sensitive data refinement recipes. To fill this gap, we introduce CDR-Bench, a comprehensive benchmark featuring 3,462 high-quality tasks spanning four real-world data refinement domains and 29 distinct operators. Our benchmark evaluates models across atomic, order-agnostic, and order-sensitive settings, leveraging deterministic reference outputs to enable exact evaluation. Experiments on 10+ state-of-the-art LLMs reveal consistent failure patterns: performance degrades sharply in compositional settings, and order-sensitive recipe success collapses. These findings underline that current LLMs lack the procedural faithfulness required for reliable compositional data refinement.

Safety alignment instills in Large Language Models (LLMs) a critical capacity to refuse malicious requests. Prior works have modeled this refusal mechanism as a single linear direction in the activation space. We posit that this is an oversimplification that conflates two functionally distinct neural processes: the detection of harm and the execution of a refusal. In this work, we deconstruct this single representation into a Harm Detection Direction and a Refusal Execution Direction. Leveraging this fine-grained model, we introduce Differentiated Bi-Directional Intervention (DBDI), a new white-box framework that precisely neutralizes the safety alignment at critical layer. DBDI applies adaptive projection nullification to the refusal execution direction while suppressing the harm detection direction via direct steering. Extensive experiments demonstrate that DBDI outperforms prominent jailbreaking methods, achieving up to a 97.88\% attack success rate on models such as Llama-2. By providing a more granular and mechanistic framework, our work offers a new direction for the in-depth understanding of LLM safety alignment.

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.

Large Language Models (LLMs) have transformed numerous fields by enabling advanced natural language interactions but remain susceptible to critical vulnerabilities, particularly jailbreak attacks. Current jailbreak techniques, while effective, often depend on input modifications, making them detectable and limiting their stealth and scalability. This paper presents Targeted Model Editing (TME), a novel white-box approach that bypasses safety filters by minimally altering internal model structures while preserving the model's intended functionalities. TME identifies and removes safety-critical transformations (SCTs) embedded in model matrices, enabling malicious queries to bypass restrictions without input modifications. By analyzing distinct activation patterns between safe and unsafe queries, TME isolates and approximates SCTs through an optimization process. Implemented in the D-LLM framework, our method achieves an average Attack Success Rate (ASR) of 84.86% on four mainstream open-source LLMs, maintaining high performance. Unlike existing methods, D-LLM eliminates the need for specific triggers or harmful response collections, offering a stealthier and more effective jailbreak strategy. This work reveals a covert and robust threat vector in LLM security and emphasizes the need for stronger safeguards in model safety alignment.

Multi-modal large language model (MLLM)-based web agents interact with webpage environments by generating actions based on screenshots of the webpages. In this work, we propose WebInject, a prompt injection attack that manipulates the webpage environment to induce a web agent to perform an attacker-specified action. Our attack adds a perturbation to the raw pixel values of the rendered webpage. After these perturbed pixels are mapped into a screenshot, the perturbation induces the web agent to perform the attacker-specified action. We formulate the task of finding the perturbation as an optimization problem. A key challenge in solving this problem is that the mapping between raw pixel values and screenshot is non-differentiable, making it difficult to backpropagate gradients to the perturbation. To overcome this, we train a neural network to approximate the mapping and apply projected gradient descent to solve the reformulated optimization problem. Extensive evaluation on multiple datasets shows that WebInject is highly effective and significantly outperforms baselines.

A central belief in scaling reinforcement learning with verifiable rewards for instruction following (IF) tasks is that, a diverse mixture of verifiable hard and unverifiable soft constraints is essential for generalizing to unseen instructions. In this work, we challenge this prevailing consensus through a systematic empirical investigation. Counter-intuitively, we find that models trained on hard-only constraints consistently outperform those trained on mixed datasets. Extensive experiments reveal that reward precision, rather than constraint diversity, is the primary driver of effective alignment. The LLM judge suffers from a low recall rate in detecting false response, which leads to severe reward hacking, thereby undermining the benefits of diversity. Furthermore, analysis of the attention mechanism reveals that high-precision rewards develop a transferable meta-skill for IF. Motivated by these insights, we propose a simple yet effective data-centric refinement strategy that prioritizes reward precision. Evaluated on five benchmarks, our approach outperforms competitive baselines by 13.4\% in performance while achieving a 58\% reduction in training time, maintaining strong generalization beyond instruction following. Our findings advocate for a paradigm shift: moving away from the indiscriminate pursuit of data diversity toward high-precision rewards.

Text-to-SQL enables users to query databases using natural language by generating executable SQL queries. Recent methods have increasingly adopted Large Language Models based reinforcement learning (RL) to leverage execution feedback for training. However, existing RL methods assign uniform query-level rewards to all clauses in a SQL query, treating correct and incorrect clauses equally. This coarse-grained reward design leads to insufficient learning signals for correct SQL generation. To address this issue, we propose EXPO-SQL (EXecution-based clause-level Policy Optimization for Text-to-SQL) which provides fine-grained supervision through clause-level rewards. To assign clause-level rewards, our method identifies erroneous clauses by analyzing execution results, including error messages and clause-wise incremental execution. Experiments on widely-used Text-to-SQL benchmarks demonstrate that EXPO-SQL significantly outperforms existing supervised fine-tuning, prompting, and RL-based methods through fine-grained clause-level learning. Our code is available at https://github. com/jhn25/EXPO-SQL.

Large language models (LLMs) have shown promising performance across diverse domains. Many practical applications of LLMs, such as code completion and structured data extraction, require adherence to syntactic constraints specified by a formal language. Yet, due to their probabilistic nature, LLM output is not guaranteed to adhere to such formal languages. Prior work has proposed constrained decoding as a means to restrict LLM generation to particular formal languages. However, existing works are not applicable to the emerging paradigm of diffusion LLMs, when used in practical scenarios such as the generation of formally correct C++ or JSON output. In this paper we address this challenge and present the first constrained decoding method for diffusion models, one that can handle formal languages captured by context-free grammars. We begin by reducing constrained decoding to the more general additive infilling problem, which asks whether a partial output can be completed to a valid word in the target language. This problem also naturally subsumes the previously unaddressed multi-region infilling constrained decoding. We then reduce this problem to the task of deciding whether the intersection of the target language and a regular language is empty and present an efficient algorithm to solve it for context-free languages. Empirical results on various applications, such as C++ code infilling and structured data extraction in JSON, demonstrate that our method achieves near-perfect syntactic correctness while consistently preserving or improving functional correctness. Importantly, our efficiency optimizations ensure that the computational overhead remains practical.

Knowledge editing techniques have been increasingly adopted to efficiently correct the false or outdated knowledge in Large Language Models (LLMs), due to the high cost of retraining from scratch. Meanwhile, one critical but under-explored question is: can knowledge editing be used to inject harm into LLMs? In this paper, we propose to reformulate knowledge editing as a new type of safety threat for LLMs, namely Editing Attack, and conduct a systematic investigation with a newly constructed dataset EditAttack. Specifically, we focus on two typical safety risks of Editing Attack including Misinformation Injection and Bias Injection. For the risk of misinformation injection, we first categorize it into commonsense misinformation injection and long-tail misinformation injection. Then, we find that editing attacks can inject both types of misinformation into LLMs, and the effectiveness is particularly high for commonsense misinformation injection. For the risk of bias injection, we discover that not only can biased sentences be injected into LLMs with high effectiveness, but also one single biased sentence injection can cause a high bias increase in general outputs of LLMs, which are even highly irrelevant to the injected sentence, indicating a catastrophic impact on the overall fairness of LLMs. Then, we further illustrate the high stealthiness of editing attacks, measured by their impact on the general knowledge and reasoning capacities of LLMs, and show the hardness of defending editing attacks with empirical evidence. Our discoveries demonstrate the emerging misuse risks of knowledge editing techniques on compromising the safety alignment of LLMs.

Production LLMs receive instructions from sources with very different levels of trust, yet attend to every token with uniform architectural privilege. This is the structural vulnerability that enables malicious prompt injections and, more broadly, leaves models without a principled way to resolve conflicts between legitimate but competing instructions. A common training-based response is to teach models an explicit instruction hierarchy; existing approaches, however, formalize hierarchies of only three or four levels, treat all violations as equally severe, and rarely evaluate the full set of pairwise level interactions. We formalize a k-level instruction hierarchy problem and instantiate it for k=5, yielding ten pairwise priority relations that a compliant model must enforce. We then introduce Gravity-Weighted DPO (GW-DPO), a preference-optimization objective whose per-sample offset scales with the structural distance between conflicting levels under a linear or bilateral schedule, the latter weighting severity by both the privilege gap and the privilege of the victim level. Combined with hierarchy-specific delimiter tokens (Chen et al., 2025) and Instructional Segment Embeddings (ISE; Wu et al., 2025), GW-DPO with the bilateral schedule Pareto-improves over standard DPO and the linear variant on Llama-3.1-8B-Instruct, raising macro pairwise priority adherence while keeping over-refusal at half the standard DPO rate. Ablations isolate ISE as a refusal-threshold calibrator and recast five- versus three-level training as a generality-specialization tradeoff.

Large Language Models (LLMs) are nowadays expected to generate content aligned with human preferences. Current work focuses on alignment at model training time, through techniques such as Reinforcement Learning with Human Feedback (RLHF). However, it is unclear if such methods are an effective choice to teach alignment objectives to the model. First, the inability to incorporate multiple, custom rewards and reliance on a model developer's view of universal and static principles are key limitations. Second, the residual gaps in model training and the reliability of such approaches are also questionable (e.g. susceptibility to jail-breaking even after safety training). To address these, we propose DeAL, a framework that allows the user to customize reward functions and enables Decoding-time Alignment of LLMs (DeAL). At its core, we view decoding as a heuristic-guided search process and facilitate the use of a wide variety of alignment objectives. Our experiments with programmatic constraints such as keyword and length constraints (studied widely in the pre-LLM era) and abstract objectives such as harmlessness and helpfulness (proposed in the post-LLM era) show that we can DeAL with fine-grained trade-offs, improve adherence to alignment objectives, and address residual gaps in LLMs. Lastly, while DeAL can be effectively paired with RLHF and prompting techniques, its generality makes decoding slower, an optimization we leave for future work.

It is crucial for large language models (LLMs) to follow instructions that involve multiple constraints. However, it is an unexplored area to enhance LLMs' ability to follow soft constraints. To bridge the gap, we initially design a pipeline to construct datasets with high-quality outputs automatically. Additionally, to fully utilize the positive and negative samples generated during the data construction process, we choose Direct Preference Optimization (DPO) as the training method. Furthermore, taking into account the difficulty of soft constraints indicated by the number of constraints, we design a curriculum learning training paradigm based on the constraint quantity. We experimentally evaluate the effectiveness of our methods in improving LLMs' soft constraint following ability and analyze the factors driving the improvements.The datasets and code are publicly available at https://github.com/Rainier-rq/FollowSoftConstraint.

Outcome-reward reinforcement learning (RL) has proven effective at improving the reasoning capabilities of large language models (LLMs). However, standard RL assigns credit only at the level of the final answer, penalizing entire reasoning traces when the outcome is incorrect and uniformly reinforcing all steps when it is correct. As a result, correct intermediate steps may be discouraged in failed traces, while spurious steps may be reinforced in successful ones. We refer to this failure mode as the problem of credit assignment. While a natural remedy is to train a process reward model, accurately optimizing such models to identify corrective reasoning steps remains challenging. We introduce Intervention Training (InT), a training paradigm in which the model performs fine-grained credit assignment on its own reasoning traces by proposing short, targeted corrections that steer trajectories toward higher reward. Using reference solutions commonly available in mathematical reasoning datasets and exploiting the fact that verifying a model-generated solution is easier than generating a correct one from scratch, the model identifies the first error in its reasoning and proposes a single-step intervention to redirect the trajectory toward the correct solution. We then apply supervised fine-tuning (SFT) to the on-policy rollout up to the point of error concatenated with the intervention, localizing error to the specific step that caused failure. We show that the resulting model serves as a far better initialization for RL training. After running InT and subsequent fine-tuning with RL, we improve accuracy by nearly 14% over a 4B-parameter base model on IMO-AnswerBench, outperforming larger open-source models such as gpt-oss-20b.

Multi-constraint instruction following requires verifying whether a response satisfies multiple individual requirements, yet LLM judges are often assessed only through overall-response judgments. We introduce MCJudgeBench, a benchmark for constraint-level judge evaluation in multi-constraint instruction following. Each instance includes an instruction, a candidate response, an explicit constraint list, per-constraint gold labels in {yes, partial, no}, and controlled response-side perturbations. The evaluation protocol further includes evaluation prompt variants to test judge stability. We evaluate proprietary and open-source LLM judges using both correctness and inconsistency metrics, distinguishing intrinsic inconsistency under stochastic decoding from procedural inconsistency under prompt and response perturbations. Our results show that judge reliability has multiple dimensions: strong overall performance does not guarantee equally reliable detection across label categories, especially for rarer partial and no cases. Judges with higher correctness do not always have lower inconsistency. Evaluation with reasoning improves correctness but does not uniformly improve stability. These findings motivate evaluating LLM judges at the constraint level to study these failure modes.

Natural-language feedback in interactive learning often explains why an action failed by pointing to violated requirements. Misinterpreting this feedback can lead an agent to rule out valid solutions. We study this setting by modeling user intent as latent constraints over an action space and formulating learning from language feedback as pure exploration over feasible regions. We introduce TRACE, an algorithm that organizes candidate constraints in a tree and tests each proposed refinement by generating actions that satisfy it. TRACE commits to the refinement only if the resulting feedback does not contradict it over repeated tests. We distinguish two ways of using the same feedback: (i) falsification, which detects contradictions to the constraint set currently being tested, and (ii) identification, which may additionally name a violated constraint. We prove high-probability coverage bounds with dependence on the candidate class size H for TRACE-Falsification. With reliable identification, TRACE-Identification can replace this dependence by K/p_{ext}, where K is the number of latent constraints and p_{ext} lower-bounds the probability of extracting a missing true constraint from informative feedback. We evaluate TRACE across six language-feedback tasks. On RecMovie, TRACE-Identification achieves 73% and 86% final-output success under caps of 20 and 60 evaluated outputs, compared with at most 42% and 48% for the evaluated prompting baselines given the same feedback and output caps. Controlled identity-corruption experiments further show greater robustness than direct accumulation when the falsification detector remains reliable.

The deployment of large language models (LLMs) raises significant ethical and safety concerns. While LLM alignment techniques are adopted to improve model safety and trustworthiness, adversaries can exploit these techniques to undermine safety for malicious purposes, resulting in misalignment. Misaligned LLMs may be published on open platforms to magnify harm. To address this, additional safety alignment, referred to as realignment, is necessary before deploying untrusted third-party LLMs. This study explores the efficacy of fine-tuning methods in terms of misalignment, realignment, and the effects of their interplay. By evaluating four Supervised Fine-Tuning (SFT) and two Preference Fine-Tuning (PFT) methods across four popular safety-aligned LLMs, we reveal a mechanism asymmetry between attack and defense. While Odds Ratio Preference Optimization (ORPO) is most effective for misalignment, Direct Preference Optimization (DPO) excels in realignment, albeit at the expense of model utility. Additionally, we identify model-specific resistance, residual effects of multi-round adversarial dynamics, and other noteworthy findings. These findings highlight the need for robust safeguards and customized safety alignment strategies to mitigate potential risks in the deployment of LLMs. Our code is available at https://github.com/zhangrui4041/The-Art-of-Mis-alignment.

Languages with rich static semantics, such as Rust, provide stronger guarantees for AI-generated code, but their strictness makes generation more difficult. Off-the-shelf compilers can provide useful feedback post-generation, but does not guide intermediate generation steps, such as those during autoregressive LLM decoding. Constrained decoding intervenes earlier by rejecting invalid tokens during sampling, but requires white-box model access and costly reimplementation for semantic constraints.We introduce generative compilation, the first approach to obtaining compiler feedback on partial programs during generation. The core technical device is a sealor: a lightweight, mostly syntax-guided transformation that converts partial programs into complete ones that standard compilers can diagnose. It is designed such that possible-to-complete partial programs are never rejected, while preserving enough code context to catch genuine dead ends early. We construct such a sealor on a core Rust-like calculus and prove that it satisfies these properties, all mechanized in Lean. We extend it to the first partial-program checker for real Rust. We evaluate our method on challenging repository-level Rust coding tasks, across both frontier black-box and open-weight models. We show that generative compilation reduces non-compiling outputs and improves functional correctness, relative to standard post-generation feedback. It does so by detecting a broad range of errors close to their source and early during generation, thereby reducing errors cascades and enabling focused diagnostics. More broadly, generative compilation is a step toward making compilers a first-class citizen of AI-assisted programming active during generation, rather than a separate post-generation check.

Quantified formulas with Uninterpreted Functions (UFs) over non-linear real arithmetic pose fundamental challenges for Satisfiability Modulo Theories (SMT) solving. Traditional quantifier instantiation methods struggle because they lack semantic understanding of UF constraints, forcing them to search through unbounded solution spaces with limited guidance. We present AquaForte, a framework that leverages Large Language Models to provide semantic guidance for UF instantiation by generating instantiated candidates for function definitions that satisfy the constraints, thereby significantly reducing the search space and complexity for solvers. Our approach preprocesses formulas through constraint separation, uses structured prompts to extract mathematical reasoning from LLMs, and integrates the results with traditional SMT algorithms through adaptive instantiation. AquaForte maintains soundness through systematic validation: LLM-guided instantiations yielding SAT solve the original problem, while UNSAT results generate exclusion clauses for iterative refinement. Completeness is preserved by fallback to traditional solvers augmented with learned constraints. Experimental evaluation on SMT-COMP benchmarks demonstrates that AquaForte solves numerous instances where state-of-the-art solvers like Z3 and CVC5 timeout, with particular effectiveness on satisfiable formulas. Our work shows that LLMs can provide valuable mathematical intuition for symbolic reasoning, establishing a new paradigm for SMT constraint solving.

As Large Language Model (LLM) agents increasingly execute complex, autonomous software engineering tasks, developers rely on natural language instruction files such as AGENTS.md to express project-specific coding conventions, tooling restrictions, and architectural boundaries. However, because these instructions remain passive text, agents frequently violate documented constraints due to context window saturation or conflicting local context. In autonomous settings without real-time human supervision, such violations rapidly compound into technical debt. To ground autonomous agents in repository constraints, we introduce ContextCov, a framework that transforms passive natural language instructions into executable guardrails. Unlike prompt-only or reflection-only compliance approaches, ContextCov compiles documented constraints into three complementary checks: static AST queries for code patterns, runtime shell shims that intercept prohibited commands, and architectural validators that enforce structural rules. Acting as an automated, continuous reviewer, ContextCov intercepts agent actions and returns immediate, reproducible violation traces, enabling self-correction before non-compliant changes are finalized. We evaluate ContextCov on SWE-bench Lite (12 repositories, 300 tasks). Compared to prompt-only and LLM reflection baselines, ContextCov achieves 88.3% constraint compliance (vs. 67.0% and 50.3%) with 3.4x lower feedback cost, while maintaining functional correctness. The source code and evaluation results are available at https://github.com/reSHARMA/ContextCov.

Agentic systems integrate LLM driven planning with interfaces to external tools, making data leakage and tool misuse feasible via instruction/data boundary failures and prompt injection attacks. Enforcing required controls consistently is particularly challenging in workflows spanning many codebases and heterogeneous agents. To address this challenge in multi agentic systems, we present a pre-deployment pipeline for scanning, hardening, and validation of agentic applications. The pipeline analyzes prompt templates, tool interfaces, and tool-invocation code to identify leakage-enabling patterns and generate actionable patches. The hardened application is then validated through adversarial prompt injection attacks and benign input variations ensuring that mitigations do not disrupt intended behavior. In the hardening stage, high-risk tools are prioritized, and minimally invasive mitigations are applied, including schema tightening, boundary sanitization, allowlist-based tool gating, and least-privilege checks. In the validation stage, the pipeline automatically generates attack inputs that mimic jailbreaks, instruction overrides, and tool-targeted manipulation, along with benign task variants, to confirm that the functionality of the hardened application is preserved after remediation. We evaluated the pipeline on five real-world agentic applications, as well as on the AgentDojo benchmark. Across all applications, the proposed pipeline identified recurring leakage-enabling patterns and generated patches that can be integrated without disrupting the intended application behavior. The resulting modifications of application code were shown to eliminate leaks when targeted by basic jailbreak and instruction-override attacks, achieving a 100% reduction in leakage, and reduce leaks by 91% under conditions of stress-induced manipulation, without the need of continuous runtime policy enforcement.

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

Constraints are critical in text generation as LLM outputs are often unreliable when it comes to ensuring generated outputs adhere to user defined instruction or general safety guidelines. To address this gap, we present Constrained Discrete Diffusion (CDD), a novel method for enforcing constraints on natural language by integrating discrete diffusion models with differentiable optimization. Unlike conventional text generators, which often rely on post-hoc filtering or model retraining for controllable generation, we propose imposing constraints directly into the discrete diffusion sampling process. We illustrate how this technique can be applied to satisfy a variety of natural language constraints, including (i) toxicity mitigation by preventing harmful content from emerging, (ii) character and sequence level lexical constraints, and (iii) novel molecule sequence generation with specific property adherence. Experimental results show that our constraint-aware procedure achieves high fidelity in meeting these requirements while preserving fluency and semantic coherence, outperforming auto-regressive and existing discrete diffusion approaches.

Alignment in large language models (LLMs) is still largely static: after training, the policy is frozen. DPO, GRPO methods typically imprint one behavior into the weights, leaving little runtime control beyond prompt hacks or expensive re-alignment. We introduce ECLIPTICA, which treats alignment as instruction-driven and runtime-controllable: natural-language alignment instructions act as an explicit behavioral contract (stance, refusal boundary, verbosity) that modulates behavior on the fly under evolving safety requirements, user roles, and governance constraints. We introduce CITA (Contrastive Instruction-Tuned Alignment), combining SFT with contrastive preference optimization under an explicit geometric anchor to a reference model. This yields a stable Riemannian chart and keeps instruction updates within a shared neighborhood, so regimes stay nearby and traversable for reliable switching. To isolate policy switching from ordinary instruction following, we release the ECLIPTICA benchmark: 3000 controlled cases (300 prompts x 10 instruction types) where the user request is fixed and only the alignment instruction changes. On Llama-3.1-8B across five suites (ECLIPTICA, TruthfulQA, Conditional Safety, Length Control, LITMUS), CITA reaches 86.7% instruction-alignment efficiency, beating DPO (56.1%), GRPO (36.1%), and PPO (20.4%).

Recent work shows Large Language Models (LLMs) struggle to understand natural language constraints for various text generation tasks in zero- and few-shot settings. While, in the code domain, there is wide usage of constraints in code format to maintain the integrity of code written in Domain-Specific Languages (DSLs) like JSON and YAML which are widely used for system-level programming tasks in enterprises. Given that LLMs are increasingly used for system-level code tasks, evaluating if they can comprehend these code constraints is crucial. However, no work has been done to evaluate their controllability over code constraints. Hence, we introduce ConCodeEval, a first-of-its-kind benchmark having two novel tasks for code constraints across five representations. Our findings suggest that language models struggle with code constraints. Code languages that perform excellently for normal code tasks do not perform well when the same languages represent fine-grained constraints.

Twenty-seven years ago, E. Freuder highlighted that "Constraint programming represents one of the closest approaches computer science has yet made to the Holy Grail of programming: the user states the problem, the computer solves it". Nowadays, CP users have great modeling tools available (like Minizinc and CPMpy), allowing them to formulate the problem and then let a solver do the rest of the job, getting closer to the stated goal. However, this still requires the CP user to know the formalism and respect it. Another significant challenge lies in the expertise required to effectively model combinatorial problems. All this limits the wider adoption of CP. In this position paper, we investigate a possible approach to leverage pre-trained Large Language Models to extract models from textual problem descriptions. More specifically, we take inspiration from the Natural Language Processing for Optimization (NL4OPT) challenge and present early results with a decomposition-based prompting approach to GPT Models.

Reinforcement learning (RL) from unit tests is the common recipe for post-training code models, but a unit test only asks whether the final program passes. We analyze what this unit-test-only reward teaches a model during debugging and find that, while it raises pass rates, it also teaches the model to edit more and to hallucinate bugs in code that is already correct. We introduce PreciseCoder, a training algorithm that augments the unit-test reward with a signal for semantically verified, localized edits, which correlates with smaller edits and higher pass rates. On 4B, 9B, and 27B models, PreciseCoder reduces the average number of edit lines from 7-15to 3 at a pass rate on par with unit-test-only training. Trained only on single-line bugs, PreciseCoder can generalize to repository-level program repair, where it resolves more issues with smaller patches. Its precision also transfers from weaker to stronger models: given the reasoning trace of a 9B PreciseCoder model, frontier models such as GPT-5.6 Sol and Qwen3.8-Max gain 4.6-12.4 points in edit precision with no additional training. Linguistic analysis of the thinking traces shows that our reward encourages the model to reason about individual lines, name the buggy ones, and form consistent bug hypotheses.

Tool-augmented LLM agents can harbor implicit state that persists across sessions, activates through events, and propagates across agent boundaries---largely invisible to standard debugging. We formalize this as Persistent Semantic Entities (PSEs): constructs defined by name binding, event triggering, and cross-boundary propagation, and evaluate them across 24 models from 11 families (1.5B--1T parameters). First, every tested model is susceptible (20--100% on the 20-model susceptibility panel), with name binding as the necessary and dominant mechanism: without it, contamination is 0%. Second, persistence depends on contamination type rather than scale or deployment: preference contamination persists undecayed on every model probed (100% at t=10) and instruction contamination persists wherever adopted, persona-style injection decays partially (90%to10%), while factual injection is model-dependent---self-corrected on Llama-3.1-8B and GPT-4o-mini but held at ceiling on both Qwen2.5-coder variants, so we do not claim it self-corrects in general. The preference and instruction results hold across providers in our controlled setting. Third, context-isolated self-verification achieves 20--79% reduction (median 36.5%) without oracle references while keyword-based detection produces systematic false positives, and contamination compounds 1.9times along a four-stage agent pipeline (40%to75%). Preference and instruction contamination---persistent, lacking self-correction, and poorly captured by standard monitoring---represent a particularly concerning attack surface for deployed agent systems.

Traditional vulnerability detection methods rely heavily on predefined rule matching, which often fails to capture vulnerabilities accurately. With the rise of large language models (LLMs), leveraging their ability to understand code semantics has emerged as a promising direction for achieving more accurate and efficient vulnerability detection. However, current LLM-based approaches face significant challenges: instability in model outputs, limitations in context length, and hallucination. As a result, many existing solutions either use LLMs merely to enrich predefined rule sets, thereby keeping the detection process fundamentally rule-based, or over-rely on them, leading to poor robustness. To address these challenges, we propose a constraint-solving approach powered by LLMs named VULSOLVER. By modeling vulnerability detection as a constraint-solving problem, and by integrating static application security testing (SAST) with the semantic reasoning capabilities of LLMs, our method enables the LLM to act like a professional human security expert. We assess VULSOLVER on the OWASP Benchmark (1,023 labeled samples), achieving 96.29% accuracy, 96.55% F1-score, and 100% recall. Applied to popular GitHub repositories, VULSOLVER also identified 15 previously unknown high-severity vulnerabilities (CVSS 7.5-9.8), demonstrating its effectiveness in real-world security analysis.

Multi-agent systems (MAS) composed of large language models often exhibit improved problem-solving performance despite operating on identical information. In this work, we provide a formal explanation for this phenomenon grounded in operator theory and constrained optimization. We model each agent as enforcing a distinct family of validity constraints on a shared solution state, and show that a MAS implements a factorized composition of constraint-enforcement operators. Under mild conditions, these dynamics converge to invariant solution sets defined by the intersection of agent constraint sets. Such invariant structures are generally not dynamically accessible to a single agent applying all constraints simultaneously, even when expressive capacity and information are identical. We extend this result from exact constraint enforcement to soft constraints via proximal operators, and apply the formalism to contemporary text-based dialog systems.

Large Language Models (LLMs) have enabled the development of powerful agentic systems capable of automating complex workflows across various fields. However, these systems are highly vulnerable to indirect prompt injection attacks, where malicious instructions embedded in external data can hijack agent behavior. In this work, we present ReasAlign, a model-level solution to improve safety alignment against indirect prompt injection attacks. The core idea of ReasAlign is to incorporate structured reasoning steps to analyze user queries, detect conflicting instructions, and preserve the continuity of the user's intended tasks to defend against indirect injection attacks. To further ensure reasoning logic and accuracy, we introduce a test-time scaling mechanism with a preference-optimized judge model that scores reasoning steps and selects the best trajectory. Comprehensive evaluations across various benchmarks show that ReasAlign maintains utility comparable to an undefended model while consistently outperforming Meta SecAlign, the strongest prior guardrail. On the representative open-ended CyberSecEval2 benchmark, which includes multiple prompt-injected tasks, ReasAlign achieves 94.6% utility and only 3.6% ASR, far surpassing the state-of-the-art defensive model of Meta SecAlign (56.4% utility and 74.4% ASR). These results demonstrate that ReasAlign achieves the best trade-off between security and utility, establishing a robust and practical defense against prompt injection attacks in real-world agentic systems. Our code and experimental results could be found at https://github.com/leolee99/ReasAlign.

Large language models can produce creative and diverse responses. However, to integrate them into current developer workflows, it is essential to constrain their outputs to follow specific formats or standards. In this work, we surveyed 51 experienced industry professionals to understand the range of scenarios and motivations driving the need for output constraints from a user-centered perspective. We identified 134 concrete use cases for constraints at two levels: low-level, which ensures the output adhere to a structured format and an appropriate length, and high-level, which requires the output to follow semantic and stylistic guidelines without hallucination. Critically, applying output constraints could not only streamline the currently repetitive process of developing, testing, and integrating LLM prompts for developers, but also enhance the user experience of LLM-powered features and applications. We conclude with a discussion on user preferences and needs towards articulating intended constraints for LLMs, alongside an initial design for a constraint prototyping tool.

Multi-agent systems (MAS) are increasingly capable of tackling complex real-world tasks, yet their reliance on inter-agent coordination, tool use, and long-horizon reasoning makes error recognition particularly challenging. Minor errors can propagate across agents, escalating into task failures while producing long, intertwined execution trajectories that impose significant costs for both human developers and automated systems to debug and analyze. Our key insight is that, despite surface differences in failure trajectories (e.g., logs), MAS errors often recur with similar structural patterns. This paper presents CORRECT, the first lightweight, training-free framework that leverages an online cache of distilled error schemata to recognize and transfer knowledge of failure structures across new requests. This cache-based reuse allows LLMs to perform targeted error localization at inference time, avoiding the need for expensive retraining while adapting to dynamic MAS deployments in subseconds. To support rigorous study in this domain, we also introduce CORRECT-Error, a large-scale dataset of over 2,000 annotated trajectories collected through a novel error-injection pipeline guided by real-world distributions, and further validated through human evaluation to ensure alignment with natural failure patterns. Experiments across seven diverse MAS applications show that CORRECT improves step-level error localization up to 19.8% over existing advances while at near-zero overhead, substantially narrowing the gap between automated and human-level error recognition.

Mainstream backdoor attack methods typically demand substantial tuning data for poisoning, limiting their practicality and potentially degrading the overall performance when applied to Large Language Models (LLMs). To address these issues, for the first time, we formulate backdoor injection as a lightweight knowledge editing problem, and introduce the BadEdit attack framework. BadEdit directly alters LLM parameters to incorporate backdoors with an efficient editing technique. It boasts superiority over existing backdoor injection techniques in several areas: (1) Practicality: BadEdit necessitates only a minimal dataset for injection (15 samples). (2) Efficiency: BadEdit only adjusts a subset of parameters, leading to a dramatic reduction in time consumption. (3) Minimal side effects: BadEdit ensures that the model's overarching performance remains uncompromised. (4) Robustness: the backdoor remains robust even after subsequent fine-tuning or instruction-tuning. Experimental results demonstrate that our BadEdit framework can efficiently attack pre-trained LLMs with up to 100\% success rate while maintaining the model's performance on benign inputs.

Safety alignment of large reasoning models (LRMs) via supervised fine-tuning (SFT) and reinforcement learning (RL) often yields near-perfect safety scores, yet this apparent success comes at the cost of severe over-refusal and degraded general capabilities. Through systematic empirical analysis, we find that these failures are closely associated with the learning of spurious shortcuts rather than robust intent-sensitive safety evaluation. Specifically, we identify two dominant shortcuts: formatting shortcuts, where refusal behaviors are overly bound to structural prompt templates that frequently appear in safety alignment corpora; and lexical shortcuts, where sensitive keywords reflexively trigger refusals on benign queries. To mitigate reliance on these shortcuts, we propose DeShortcut-Align, a shortcut-decoupling alignment framework that reduces dependence on superficial cues. DeShortcut-Align operates across three coordinated stages: (1) Refusal Sensitivity Attribution, which masks input tokens to quantify their impact on the final refusal response distribution; (2) Attribution-Guided Contrastive Augmentation, which constructs benign contrastive samples using high-sensitivity tokens to mitigate lexical shortcuts; and (3) Counterfactual Consistency Regularization, which constructs template-ablated states via attention blinding to enforce decision consistency across SFT and RL, mitigating formatting shortcut dependence. Experiments on 7B and 14B models demonstrate that DeShortcut-Align significantly improves robustness against template-stripping bypass attacks (reducing performance drops by up to 72%), substantially reduces over-refusal by over 58%, and better preserves general-purpose reasoning capabilities, thereby mitigating the alignment tax commonly observed in safety training.

Instruction following is a fundamental ability of Large Language Models (LLMs), requiring their generated outputs to follow multiple constraints imposed in input instructions. Numerous studies have attempted to enhance this ability through preference optimization or reinforcement learning based on reward signals from LLM-as-a-Judge. However, existing evaluation models for instruction following still possess many deficiencies, such as substantial costs and unreliable assessments. To this end, we propose IF-CRITIC, an LLM critic that can provide efficient and reliable assessments of constraint following in the instructions. We first develop a checklist generator to decompose instructions and generate constraint checklists. With the assistance of the checklists, we collect high-quality critique training data through a multi-stage critique filtering mechanism and employ a constraint-level preference optimization method to train IF-CRITIC. Extensive experiments demonstrate that the evaluation performance of IF-CRITIC can beat strong LLM-as-a-Judge baselines, including Deepseek-R1 and o4-mini. With the scalable reward signals provided by IF-CRITIC, LLMs can achieve substantial performance gains in instruction-following optimization under lower computational overhead compared to strong LLM critic baselines.

Current safety alignment of foundation models largely follows a one-size-fits-all paradigm, applying the same refusal policy across users and contexts. As a result, models may refuse requests that are unsafe for general users but legitimate for authorized professionals, limiting helpfulness in specialized professional settings. Existing approaches either require costly realignment or rely on inference-time steering that suffers from imprecise control and added latency. To this end, we propose Palette, a modular, controllable, and efficient framework that selectively relaxes refusal behavior on authorized target domains while preserving standard safety elsewhere. Our method identifies a refusal direction via multi-objective search and internalizes it into the model through lightweight adaptation. Palette further supports modular composition: it learns domain-specific safety controls independently and composes them through parameter merging, enabling on-demand multi-domain authorization without retraining. Experiments across four safety benchmarks, multiple model variants, and both LLMs and VLMs show that Palette delivers precise safety control without sacrificing general utility, offering a practical path toward foundation models that adapt to diverse professional needs.

Variable-order Markov models generate sequences over a finite alphabet by conditioning each symbol on the longest available suffix of the generated history. Regular constraints, by contrast, describe finite-horizon control requirements by an automaton: fixed positions, forced endings, metrical patterns, and forbidden copied fragments are all special cases. Existing exact methods already handle regular constraints with belief propagation for first-order Markov chains. The contribution here is the variable-order extension: identifying the state space on which the existing BP-regular machinery must be run when the generator is a variable-order/backoff model. A first-order constraint layer can enforce useful support conditions, but it computes future mass after merging histories that a variable-order generator deliberately keeps distinct. We formalize this mismatch and give the sparse construction obtained by replacing the first-order Markov state with the observed context state, then taking the standard product with the regular constraint automaton. For a fixed trained context graph and automaton, inference is linear in the sequence horizon; in general it is polynomial in the number of reachable product edges. This gives the correct variable-order distribution conditioned on regular constraints without expanding to all K-tuples. The same finite-source interface supports reversible data augmentation by inverse count lookup, matching materialized transposition augmentation without storing transformed corpora. We also separate exact BP inference from generation-time backoff policies, such as singleton avoidance, whose stochastic semantics must be made explicit if exactness is claimed.

Tool-augmented language-model agents execute multi-step workflows over external systems, resolving an entity once and then acting on it across subsequent steps. Prior work shows that in single-step actions, agents select the correct tool but bind it to the wrong entity 24-26% of the time. We study what happens to entity bindings over time: do they stay correct, silently drift to a different entity, or, if wrong from the start, propagate and compound? We formalize binding drift (correct at step 1, wrong later) as distinct from error propagation (wrong at step 1, carried forward), and score them on disjoint workflow sets so the two cannot be conflated. In a controlled multi-step testbed (200 workflows, 580 entity-binding-scored steps, four enterprise domains, eight model backends spanning small to frontier), we find: (1) under controlled error injection, an entity lock (the intuitive "persist the first binding" fix) amplifies wrong actions from 907 to 2,746 (3.0x; bootstrap 95% CI [2.8, 3.3]), because it faithfully carries the seeded wrong entity into every later step; (2) the amplification reaches 8.5x on the most affected model (Claude Opus 4.5); (3) a practical LLM-based re-verifier (a single cheap second model call re-reading the original instruction) reduces wrong actions by 79% (0.21x; CI [0.18, 0.25]), closing the gap to within 1 percentage point of an oracle upper-bound (0.20x); and (4) in the natural (non-injected) setting, baseline agents drift on 18% of eligible workflows, with the per-step error rate rising across steps. Persistence and re-verification are not interchangeable: a defense that eliminates drift can worsen propagation, and a practical re-verifier nearly matches oracle recovery.

Preference learning enhances Code LLMs beyond supervised fine-tuning by leveraging relative quality comparisons. Existing methods construct preference pairs from candidates based on test case success, treating the higher pass rate sample as positive and the lower as negative. However, this approach does not pinpoint specific errors in the code, which prevents the model from learning more informative error correction patterns, as aligning failing code as a whole lacks the granularity needed to capture meaningful error-resolution relationships. To address these issues, we propose IterPref, a new preference alignment framework that mimics human iterative debugging to refine Code LLMs. IterPref explicitly locates error regions and aligns the corresponding tokens via a tailored DPO algorithm. To generate informative pairs, we introduce the CodeFlow dataset, where samples are iteratively refined until passing tests, with modifications capturing error corrections. Extensive experiments show that a diverse suite of Code LLMs equipped with IterPref achieves significant performance gains in code generation and improves on challenging tasks like BigCodeBench. In-depth analysis reveals that IterPref yields fewer errors. Our code and data will be made publicaly available.

Prompt engineering is a challenging yet crucial task for optimizing the performance of large language models (LLMs). It requires complex reasoning to examine the model's errors, hypothesize what is missing or misleading in the current prompt, and communicate the task with clarity. While recent works indicate that LLMs can be meta-prompted to perform automatic prompt engineering, their potentials may not be fully untapped due to the lack of sufficient guidance to elicit complex reasoning capabilities in LLMs in the meta-prompt. In this work, we investigate the problem of "prompt engineering a prompt engineer" -- constructing a meta-prompt that more effectively guides LLMs to perform automatic prompt engineering. We introduce and analyze key components, such as a step-by-step reasoning template and context specification, which lead to improved performance. In addition, inspired by common optimization concepts such as batch size, step size and momentum, we introduce their verbalized counterparts to the meta-prompt and investigate their effects. Our final method, named PE2, finds a prompt that outperforms "let's think step by step" by 6.3% on the MultiArith dataset and 3.1% on the GSM8K dataset. To demonstrate its versatility, we apply PE2 to the Instruction Induction benchmark, a suite of counterfactual tasks, and a lengthy, real-world industrial prompt. In these settings, PE2 achieves strong performance and outperforms prior automatic prompt engineering baselines. Further, we show that PE2 makes meaningful and targeted prompt edits, amends erroneous or incomplete prompts, and presents non-trivial counterfactual reasoning abilities.

The new paradigm of finetuning-as-a-service introduces a new attack surface for Large Language Models (LLMs): a few harmful data uploaded by users can easily trick the finetuning to produce an alignment-broken model. We conduct an empirical analysis and uncover a harmful embedding drift phenomenon, showing a probable cause of the alignment-broken effect. Inspired by our findings, we propose Vaccine, a perturbation-aware alignment technique to mitigate the security risk of users finetuning. The core idea of Vaccine is to produce invariant hidden embeddings by progressively adding crafted perturbation to them in the alignment phase. This enables the embeddings to withstand harmful perturbation from un-sanitized user data in the finetuning phase. Our results on open source mainstream LLMs (e.g., Llama2, Opt, Vicuna) demonstrate that Vaccine can boost the robustness of alignment against harmful prompts induced embedding drift while reserving reasoning ability towards benign prompts. Our code is available at https://github.com/git-disl/Vaccine.