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LLM 理论进展

The Geometry of Refusal: Linear Instability in Safety-Aligned LLMs

arXiv 2026-06-21

Modern Large Language Models (LLMs) rely on extensive safety alignment, yet the mechanistic basis of refusal remains opaque. In this work, we investigate whether safety compliance is a deep semantic decision or a manipulable linear feature. We introduce Contrastive Logit Steering (CLS), a zero-optimization framework that isolates the "refusal direction" by contrasting hidden states derived from safe and unrestricted system prompts. Unlike representation engineering methods that intervene on internal activations, CLS operates directly on the output distribution, serving as a diagnostic probe for alignment fragility. When coupled with prefix injection to bypass initial refusal reflexes, this method induces a phase transition where guardrails collapse. Our experiments on 7 model families reveal that safety implementation is architecturally deterministic. While models like Llama-3.1 exhibit a "Late Decision" topology that is easily bypassed by CLS (reaching 95% ASR in approximately one second), others like Qwen-2.5 demonstrate "Early Divergence" by integrating safety mid-computation. Direct comparison with established activation-level steering methods shows that CLS achieves substantially higher attack success rates on Llama 2 (73% vs. 22.6%) and Qwen 7B (91% vs. 79.2%), demonstrating that logit-level intervention exposes alignment vulnerabilities that hidden-state methods underestimate. Beyond attacks, we show that this linearity enables bidirectional control: inverting the steering vector "hardens" models against jailbreaks without retraining. Our findings suggest that current alignment techniques create a steerable "safety axis" that serves as both a critical vulnerability and a precise primitive for defense.

Leakage-Aware Benchmarking of LLM Forecasting: Real-Time Nowcasts as the Decision-Time Input for Macro Factor Ranking

arXiv 2026-06-21

Forecasting benchmarks for retrieval-augmented LLMs routinely confound model capability with information leakage: features labeled with a target's timestamp are often not observable at the system's decision time. We study leakage-controlled equity factor ranking with a retrieval-augmented 7B open-source LLM forecaster. At each month-end from 2023-04 to 2026-03, the forecaster observes only decision-time information: lag-shifted FRED macro variables, recent macro-event summaries, and the Cleveland Fed's archived daily CPI nowcast for unreleased current-month inflation. A macro-analog retrieval module selects historical states, a critic LLM compresses them into one tactical rule, and an actor LLM maps the current state and recent rules into scores for seven U.S. equity style factors. The full pipeline obtains a median monthly Spearman rank IC of +0.154, with positive means across three non-overlapping contiguous 12-month subwindows; the mean IC remains statistically underpowered, with a bootstrap 95% confidence interval that includes zero. Non-LLM baselines under the same decision-time constraint demonstrate that a kNN macro-analog model recovers a comparable median IC, indicating that real-time inflation information and macro-similar retrieval explain much of the median signal. The LLM pipeline retains higher mean IC and a stronger long-short allocation sanity check, suggesting that any marginal benefit is concentrated in the extreme rankings that drive long-short portfolio formation. A descriptive audit of the 36 critic rules and per-month case studies appears in the appendix.

Enhancing Protein Representation Learning via Manifold Restore Mixing

arXiv 2026-06-21

Data augmentation (DA) has been proven to be an effective means for improving protein representation learning (PRL) by generating additional training samples. Although mainstream perturbation- and sampling-based augmentation methods can produce data containing sufficient variations, they carry the risk of disrupting the protein structure and function. Some crafted protein homology modeling tools can generate conformations, but reduce structural diversity. The above dilemmas lead us to a question: Can we restore the disrupted structure caused by DA operations, providing data with both the original structure and diverse variations? In this work, we first analyze and empirically reveal the structure defect and performance degradation issues of existing DA methods. Based on the findings, we propose a simple yet effective DA method, Manifold Restore Mixing (MRM), for protein representation learning. Specifically, inspired by manifold mixup, we mix the hidden representations of original and augmented protein data to generate new samples that restore structural information lost in DA while introducing diverse variations. Furthermore, we develop a sample difficulty scheduler that adjusts the beta distribution in mixup to provide models with progressively challenging mixed samples during training, which improves the final performance. Comprehensive experiments on various PRL backbones and downstream tasks demonstrate the effectiveness and generalization of our method. The complete code and weights will be released upon acceptance. We provide a implementation at https://github.com/KingGugu/MRM.

Multigrid Training for Molecular Generation using Graph Neural Networks

arXiv 2026-06-21

Deep learning has demonstrated significant success for modeling biochemical molecular systems, where inputs are commonly represented as graphs or 3D grids. A major challenge is that computational cost scales with resolution, making full graph/grid computation of molecular densities expensive and often unstable. We introduce a multigrid training strategy that leverages low-resolution optimization to accelerate learning at higher resolution through parameter transfer across discretizations. For graph molecular representations, we progressively transfer parameters learned from a coarse graph to a sequence of increasingly finer graphs via biased random walk upsampling. For 3D molecular generation, we voxelize the molecular structures at multiple resolutions, pretrain a coarse-resolution conditional Variational Autoencoder (CVAE), and initialize a fine-resolution CVAE by transferring shape compatible convolutional parameters from the coarse model. Numerical experiments on receptor-conditioned 3D Ligand generation show that multigrid training accelerates convergence and improves generalization compared to training from scratch.

Formal-Method-Guided Vibe Coding: Closing the Verification Loop on AI-Generated Safety-Critical Software Through Model-Driven Engineering

arXiv 2026-06-21

Vibe coding -- accepting LLM-generated source from natural-language intent with minimal review -- is fast and may be adequate for low-criticality consumer software. But for safety-critical systems governed by DO-178C, IEC 61508, or ISO 26262, it offers no path to certification: large language models (LLMs) provide no formal correctness guarantees, and existing remedies target verification-aware languages (Dafny, Verus, Lean) that are scarce in pretraining data and absent from industrial toolchains. This paper closes the gap. We present Forge (Formal method Oriented Refinement loop for GEnerated code): a closed-loop pipeline that guides vibe coding through formal verification using established Model-Driven Engineering (MDE) infrastructure. Through vibe coding, we generate Java source code; our pipeline then extracts -- via model transformations -- formal artefacts in three different formalisms, each checked by a complementary verifier: deductive verification (Dafny), Communicating Sequential Processes (CSP) refinement via the Failures-Divergences Refinement checker (FDR4), and theorem proving using Z-Machines in Isabelle; every verification failure becomes a structured correction prompt that drives the next code-generation iteration. The LLM is the draft generator, the MDE chain is the discriminator, and the developer never has to read the formal models. Empirically, we find that the pipeline produces standards-relevant verification evidence for LLM-generated Java -- a step toward certification.

CASPER in the Machine: Insights into Character Variety in LLM-Generated Stories

arXiv 2026-06-21

As LLM-generated text is increasingly used, especially in fictional domains, we explore how much LLM-generated stories differ from human-written stories. In this work, we focus on characters. We borrow definitions from narratology to analyze eight intricate dimensions of character, such as stylization and wholeness. These dimensions consider more than just basic characteristics. They assess how characters are portrayed within their stories. After automatically inferring categories of characters within both LLM and human-written stories, we compare and contrast these two sets of stories. We consider the following overarching questions: (1) Do LLMs and human-written stories have similar characters? and (2) Do LLMs generate stories with a variety of characters? Our analysis includes research questions that focus on stories generated by popular LLMs and recently published human-written stories. We describe a number of interesting similarities, differences and key takeaways.

Adaptive Recurrent Message Passing for Test Time Computing on Graphs

arXiv 2026-06-21

Pre-trained foundation models have demonstrated remarkable success in many domains, enabling a unified backbone to generalize across diverse downstream tasks. However, extending this paradigm to graph learning remains challenging due to the intrinsic mismatch between graph data and fixed architectural designs. In this work, we show that this limitation can be overcome via recurrent graph models. To achieve this, we conduct a systematic theoretical analysis, rigorously deriving step dependence as a necessary and sufficient condition for an adaptively convergent recurrent process. Building on this foundation, we propose AdaR, an Adaptive Recurrent graph model, empowering flexible test-time computing on various downstream tasks without changing model parameters. To enable adaptive inference, AdaR explicitly encodes normalized step information and representation-target relations into the recurrent updates. To ensure convergence of the recurrent process, AdaR employs gradient-based supervision signals that guide representation updates throughout the recurrence. Empirical results demonstrate that AdaR consistently outperforms strong baselines in both inductive and transductive settings.

Interleaved Speech Language Models Latently Work In Text

arXiv 2026-06-21

Speech language models (SLMs) have been extensively studied, with the common paradigm incorporating text data and pre-trained text LMs. A leading approach is speech-text interleaving in which models are trained over sequences containing both speech and text tokens, aiming to boost even speech-only capabilities. Yet the way these two modalities interact in the model latent space remains unclear. In this work, we analyze interleaved speech-text LMs from different model families and sizes through the scope of the logit lens to provide such insight. We reveal that these models go through an implicit transcription phase in which the text token of the spoken word becomes decodable in intermediate layers, despite not being trained for speech recognition. The transcription of the word appears as one of the top candidate words for as much as 77\% of the data. Following this stage, the models proceed to predict the next word in the text space before transforming back to the speech domain. We finally analyze the role of interleaving data, and initializing from text LMs in eliciting this behavior, as well as seeing how this correlates with spoken knowledge abilities. Our analysis sheds light on the internal mechanisms underlying the relationship between speech and text modalities and could shape SLM optimization.

ROMEVA: Geometry-Preserving Vocabulary Expansion for Roman Urdu Language Models

arXiv 2026-06-21

Multilingual Language Models like mBERT are widely used for low-resource NLP, yet their adaptation to morphologically inconsistent languages such as Roman Urdu remains underexplored. Roman Urdu spelling variation causes severe sub-word fragmentation, averaging 1.50 sub-words per token. We propose \textit{ROMEVA} (Roman Urdu Embedding-preserving Vocabulary Adaptation), which combines sub-word-average initialization and a PCA-guided anchor loss to stabilize embeddings during vocabulary expansion. Using a 36,130-comment Roman Urdu corpus, we add 500 highly fragmented tokens to mBERT and compare naive fine-tuning, sub-word-aware fine-tuning, and \textit{ROMEVA}. While \textit{ROMEVA} most effectively preserves the pretrained embedding space, naive fine-tuning achieves the strongest downstream sentiment classification performance. These findings reveal a disconnect between embedding stability and downstream performance, suggesting that stronger adaptation may be preferable to strict embedding preservation in morphologically inconsistent languages.

Stationary Robust Mean-Field Games under Model Mismatches

arXiv 2026-06-21

Deploying multi-agent reinforcement learning (MARL) in the real world is often limited by model mismatches between the training simulators and the true environment, which could be further amplified through strategic interactions and result in severe performance degradation upon deployment. Distributional robustness offers a principled response by optimizing policies against worst-case transition models drawn from an uncertainty set, but standard robust MARL frameworks become increasingly intractable as the number of agents grows. This paper develops an infinite-horizon, stationary mean-field game framework that incorporates distributional model uncertainty directly into the population-coupled dynamics. We establish a robust dynamic programming principle with a contractive Bellman operator and prove the existence of a stationary robust mean-field equilibrium via a fixed-point argument. We further develop the first concrete algorithm with convergence guarantees. We then connect the mean-field solution to a finite-population robust game whose ambiguity sets depend on the empirical distribution, showing that the mean-field equilibrium policy induces approximate equilibrium behavior as the population size increases. Under a contractive robust-dynamics regime, we further obtain explicit non-asymptotic error bounds. Numerical experiments further illustrate the qualitative and quantitative impact of robustness under multiple uncertainty models, validating our theoretical findings.

Identifying Quality Indicators in Student Self-Reflections in Software Engineering

arXiv 2026-06-21

Context: Reflection is a fundamental skill in software engineering education, particularly in project-based courses where students learn through extended group work and need to develop their ability to reflect iteratively throughout their work. For students to benefit from reflection, their written reflections need to be assessed so that feedback can guide and improve their reflective practice. However, manually assessing written reflections to guide reflections is time-consuming, and often results in broad, non-specific feedback for a student to improve. Objective: This study builds on reflective writing frameworks to produce an eight-indicator scheme for assessing student reflections in software engineering. Furthermore, this study validates an automated classifier for assessing reflections against the framework, enabling scalable and structured feedback whilst reducing instructor workload. Method: We adapted existing reflection frameworks through iterative refinement to create our eight-indicator framework. Three annotators labelled student reflection texts, establishing moderate to reliable inter-rater agreement. We then trained and evaluated multiple encoder-only transformer models and compared them with decoder-only large language models using zero-shot prompting. Results: The fine-tuned RoBERTa model achieved the strongest performance, substantially outperforming decoder-only models in both accuracy and speed. The classifier demonstrated human-level agreement on most indicators whilst enabling near-instantaneous classification. We provide two model variants optimised for different assessment priorities. Conclusions: Our fine-tuned encoder-only models enable efficient automated assessment of reflective writing. The framework and automated classifier offer a means to provide timely, structured feedback on student reflections in software engineering.

PRIME: Evaluating Prompt Resolution Under Incompatible Instructions in LLMs

arXiv 2026-06-21

Large language models (LLMs) often encounter conflicting prompts, although current instruction following benchmarks assess those meta-instructions in isolation, limiting the insights about how models process conflicting instructions. We introduce a framework \textit{PRIME}(\textit{Prompt Resolution under Incompatible Meta-Instructions Evaluation}) to analyze behavior of LLMs when provided with conflicting instructions. \textit{PRIME} purposefully produces calibrated conflicts across response length, output format, and reasoning; classifying model responses with a deterministic behavioral taxonomy. We are evaluating five instruction tuned open weight LLMs in two distinct settings, balanced and naturally distributed. The conclusion we reach upon analysis is that conflict type is more significant in affecting behavior than model scale, and various failure modes across different categories of conflict. Our findings emphasize the value of developing conflict awareness and suggest ability of LLM to follow instructions cannot be assessed through isolated constraints alone.

VADAOrchestra: Neurosymbolic Orchestration of Adaptive Reasoning Workflows

arXiv 2026-06-21

Decision-making in real-world settings rarely follows a fixed script. Instead, it unfolds as a dynamic reasoning process in which the appropriate course of action evolves as new context and data become available. Traditional Business Process Management systems provide rigor, determinism, and auditability, yet they generally struggle to adapt their execution at runtime. Conversely, agentic systems based on Large Language Models (LLMs) bring flexibility to decision-making, but they are inherently opaque, often unreliable, and suffer from significant scalability constraints when operating over large datasets. To combine these complementary paradigms, we introduce VADAOrchestra, a neurosymbolic framework that models complex workflows as evolving reasoning processes. The framework adopts a hybrid approach: given a user query and a collection of data sources, an LLM-based orchestrator incrementally plans and adapts the workflow. This is encoded as a logic program in a fragment of Datalog+/- where predicates correspond to tool invocations and rules represent both predefined domain dependencies and logic constructs synthesized on demand to manipulate intermediate results. All logical inference tasks are then executed by a state-of-the-art Datalog+/- symbolic engine. This approach provides a verifiable reasoning trace, supporting the auditability and reproducibility of the entire process. Furthermore, by decoupling high-level orchestration from symbolic inference, it addresses scalability concerns, enabling complex reasoning over large datasets through targeted data querying. We evaluate VADAOrchestra on real-world financial use cases, demonstrating faithfulness, scalability, and explainability compared to standard agentic architectures.

PaperClaw: Harnessing Agents for Autonomous Research and Human-in-the-Loop Refinement

arXiv 2026-06-21

Large language models have become capable reasoners and tool users that write and run code and search the literature, which makes automating the research process itself a realistic goal. We present PAPERCLAW, a harnessed multi-agent system that carries a project autonomously, from a field of study to a finished paper. PAPERCLAW curates a domain from a field's live literature, datasets, and code; brainstorms it into an idea with a pre-registered main-result contract; and drives a stoppable hypothesis map through an iterative propose, test, reflect loop that grows only from measured verdicts and halts once the evidence supports the idea, at which point it writes a venue-compliant paper. A full-lifecycle memory keeps each stage in a single living record, so a long run can be paused, inspected, and resumed without losing context. At the centre is an in-cycle research assistant with research tools and skills: it can drive the whole pipeline on its own, while the same interface lets a person step in at any stage, turning a first autonomous draft into a stronger paper through human-in-the-loop refinement. Throughout, PAPERCLAW keeps its output grounded and checkable, citing only references validated against open scholarly indexes and reporting results that genuinely ran. An evaluation with an LLM judge finds that PAPERCLAW produces strong papers both fully autonomously and with human-in-the-loop refinement.

SkillAudit: From Fixed-Suite Benchmarking to Skill-Centered Assessment

arXiv 2026-06-21

Agent skills have become a practical way to extend large language model agents, but the growing skill ecosystem still lacks a reliable way to judge whether a skill is worth deploying. Existing evaluation methods remain largely anchored to fixed task suites, assessing skills through performance on predefined tasks and environments. As skill marketplaces expand, this paradigm becomes inadequate: fixed suites can conflate a skill's marginal contribution with backbone strength and miss its value when tasks fall outside the skill's intended scope. We introduce SkillAudit, an end-to-end framework for skill-centered assessment that takes an arbitrary agent skill as input and automatically generates a comprehensive, multi-dimensional evaluation report spanning utility, efficiency/cost, and safety. SkillAudit focuses on the skill artifact itself and constructs capability-aligned evaluation tasks directly from the skill package. The generated tasks are conducted in isolated sandbox environments to collect execution evidence, followed by automated checks with LLM-based judging to produce auditable results. To dissect the agent skills, we propose the baseline comparison principle to measure utility and efficiency/cost, and introduce a two-stage detection paradigm combining static semantic analysis with dynamic runtime verification to assess safety risks. After scanning top-ranked real-world skill packages spanning 23 occupational categories, we found that over 7% of skills are at risky status.

OmniSpace: Efficient Geometry Awareness for Autonomous Vehicles MLLMs

arXiv 2026-06-21

Multimodal Large Language Models (MLLMs) have achieved remarkable performance on 2D visual tasks, yet enhancing their spatial intelligence for real-world applications such as Autonomous Vehicles (AV) remains an open challenge. Existing geometry-aware MLLMs typically rely on auxiliary 3D models at inference time, introducing pipeline complexity and the risk of cascading failures. In this paper, we present OmniSpace, a simple yet effective plug-and-play paradigm for geometry-aware spatial reasoning from purely 2D observations. Motivated by our finding that current MLLMs are bottlenecked by weak cross-view correspondence and depth estimation, OmniSpace introduces a Camera Pose Injector, a Multi-view Epipolar Attention module, and a 3D Geometric Distillation objective that jointly address these two limitations by transferring geometric knowledge into the model. Extensive experiments show that OmniSpace surpasses existing methods on planning benchmarks (nuScenes, Bench2Drive), risk detection (nuInstruct), language (Omnidrive), and generalization (DriveBench).

RAVEN: Agentic RAG for Automated Vulnerability Repair

arXiv 2026-06-21

Automated vulnerability repair has emerged as a promising direction to mitigate the growing number of software vulnerabilities. Recent advances in Large Language Models (LLMs) have further accelerated research in automated repair. However, existing frameworks remain largely restricted to memory-related vulnerabilities and locally repairable vulnerability settings, leaving generalization to unseen vulnerability types underexplored. Their evaluations are often limited to a single programming language, and largely rely on proprietary models. In this paper, we propose RAVEN, a scalable, efficient and autonomous framework that integrates an agentic retrieval-augmented generation (RAG) pipeline with controlled iterative repair in a unified framework. The framework utilizes open-source LLMs in a fully locally deployable setting with limited GPU requirements, while building a multi-faceted retrieval pipeline to retrieve historically relevant vulnerability fixes and guide the patch generation. In addition, RAVEN introduces a dedicated Curator Agent that retrieves cross-file dependencies from the target repository, to fix complex vulnerabilities that cannot be addressed using local vulnerable code alone. We evaluate RAVEN on 160 real-world CVE vulnerabilities across diverse vulnerability types, two programming languages, unseen CWE categories, and out-of-distribution settings. RAVEN achieves an overall repair success rate of 83.13%, outperforming all existing state-of-the-art repair frameworks, while also demonstrating strong generalization capabilities and maintaining the repair cost negligible.

All Green, Still Broken: Real-Flow Verification Lessons from an LLM-Integrated, Multi-Market Web Application

arXiv 2026-06-21

Modern web applications increasingly combine three ingredients that are hard to test: output from large language models, multi-market internationalization, and browser-driven front-ends over external data sources. We report on a production rental-search assistant whose automated suite grew to 1,553 test cases in six weeks. The suite passed continuously, yet user-facing defects continued to reach production. We studied all 252 bug-fix commits in the project and classified each by the boundary, or seam, it escaped through. About 44 percent of the fixes fall in four seams that component-level unit tests cannot observe: the live browser runtime, the non-default market, the end-to-end flow, and the whole-system level. A fix without a guard at the seam let one defect ship twice. We present the four-seam framework, the measured defect distribution, and the practices we adopted, including a simple way for a team to find the seam that carries the most fixes.

Learning at the Right Pace: Adaptive Data Scheduling Improves LLM Reinforcement Learning

arXiv 2026-06-21

Large Language Models (LLMs) achieve remarkable reasoning capabilities through reinforcement learning (RL) post-training. However, existing RL post-training commonly relies on uniform data sampling, which ignores the semantic structure of the training data and the changing capability of the training policy. To address these limitations, we propose Adaptive Data Scheduling (ADS), a dual-level data scheduling framework for pacing RL post-training that replaces uniform sampling with an adaptive distribution over semantic clusters and policy-boundary sample selection. At the cluster level, ADS organizes samples according to semantic patterns and maintains an adaptive inter-cluster distribution to solidify current training progress. At the sample level, ADS performs intra-cluster scheduling to continuously sample policy-boundary samples, which provides informative relative advantages. Experimental results across three LLMs and seven reasoning benchmarks demonstrate that ADS improves average accuracy by 5.2% over Group Relative Policy Optimization (GRPO). Notably, ADS consistently improves RL methods with different objective designs, highlighting its potential as a general data scheduling strategy for LLM RL post-training. The source code is available at: https://github.com/Richard-zrx/ADS.

Curiosity as Linguistic Intervention: Using LLM Tutoring Dialogues to Influence Exploratory Learning Behavior

arXiv 2026-06-21

Large Language Models (LLMs) provide a new opportunity to study how language shapes exploratory cognition because conversational strategies can be systematically manipulated at inference time. We introduce CURIOBOT, a framework that operationalizes Berlyne's collative variables, novelty, complexity, conflict, and uncertainty, as adaptive linguistic interventions for conversational tutoring. Across 270 tutoring conversations spanning multiple model families, domains, and topic complexity levels, curiosity-oriented interventions consistently increased exploratory learner behaviors, producing up to 2.4x more conversational turns under fixed time budgets. To measure these effects, we further introduce a learner-centered evaluation framework capturing exploratory questioning, conversational agency, productive struggle, and observable curiosity. Learner-side gains persisted even when tutor-side instructional quality remained unchanged, suggesting that curiosity functions as a partially independent interaction-level mechanism. More broadly, our results demonstrate that LLM-mediated dialogue can serve as a scalable experimental framework for studying how language shapes exploratory learning behavior.