arXiv subjects

Lu Cheng

Publications and source records attributed to Lu Cheng.

At least 19 recordsLinked to original sources

arXiv2026

Monitoring Web Agents Without Internal Signals: Observable Trajectories and Key-Step Supervision

Reliable web-agent monitoring is difficult when model-internal uncertainty signals such as token logits are unavailable. In this work, we study prefix-level risk prediction for web agents using observable trajectory signals: given an evolving prefix, estimate whether the current execution remains on track or is tending toward failure. We derive two observable trajectory representations: Macro features summarize cross-step agent--environment behavior and feedback, while Micro features measure the consistency of intention, action, and anticipated state change through repeated black-box queries. Instead of inheriting the final result label, we label the first critical error that remains uncorrected in the observed continuation and is associated with final failure as a key-step boundary, preserving valid early prefixes of failed trajectories as on track. Across WebArena-Lite and Online Mind2Web web agent benchmarks with five open- and closed-source backbones, observable trajectory signals are competitive with internal-signal baselines. The resulting predictors also support early intervention under fixed false-cut budgets and transfer across held-out website categories. These findings show that observable trajectory signals support valuable risk prediction abilities.

cs.AI↗

arXiv2026

Escaping Redundant Reasoning: Structure-Aware Search for Inference-Time LLMs

Inference-time search with large language models (LLMs) often concentrates on a small set of structurally or semantically similar trajectories, leaving alternatives underexplored---a failure mode we call \textit{reasoning basin collapse}. We introduce BASIN, a training-free, structure-aware selection method that groups reasoning states into basins and penalizes repeated visits to the same strategy, thereby reallocating search across genuinely distinct reasoning paths under a fixed compute budget. Under matched inference budgets, BASIN improves over Tree of Thoughts (ToT) by up to $+22$pp on Game of 24 and $+6.7$pp on MuSR. A quality-aware variant, QA-BASIN, further improves robustness by preserving high-quality basins when unconditional diversification over-explores. To explain when basin-aware selection helps, we introduce the redundancy gap $\Delta$, which measures how differently search concentrates for correct versus incorrect predictions: standard ToT often operates near $\Delta \approx 0$, while BASIN consistently shifts $\Delta$ positive. More broadly, BASIN suggests structure-aware selection as a simple and general approach to improving inference-time reasoning. Code can be found at https://github.com/GitHubLuCheng/basin.

cs.AI↗

arXiv2026

Physics-Aligned Deep Learning Enables SERS Resolving and Sequencing of Dynamic Single-Molecule DNA Oligomers in Plasmonic Nanocavity

Single-molecule surface-enhanced Raman spectroscopy (SM-SERS) captures dynamic molecular behavior with ultrahigh sensitivity, but its biopolymer analysis is hindered by strong spectral heterogeneity, transient hotspot sampling, and background interference. Here, we develop a physics-aligned deep learning framework integrating contrastive attention-based multiple-instance learning (CAMIL), a tri-channel multi-kernel CNN classifier, and trajectory-level transition-guided sequence reconstruction to decode single-molecule DNA oligomer dynamics in a plasmonic nanocavity. In this work, CAMIL mines informative spectra enriched with chain-embedded nucleotide and dinucleotide signatures from contrastive positive and negative DNA trajectory bags, generating a single-molecule DNA-segment spectral-states library. This library trains a 12-class CNN to assign query time-resolved DNA SM-SERS frames to high-confidence DNA-segment states, enabling trajectory-level analysis of state composition, dwell length, entropy, switching frequency, and transition matrix. The transition matrix is further converted into state-transition-edge evidence for candidate sequence scoring, enabling asymmetric DNA sequences inference from confined stochastic sampling dynamics. This framework transforms SM-SERS heterogeneity into quantitative analytical information, advancing dynamic single-molecule decoding.

physics.optics↗

arXiv2026

Temporal Graph Prototype-conditioned Conformal Prediction for Fraud Detection

Conformal prediction (CP) provides distribution-free coverage guarantees and has emerged as a principled tool for uncertainty quantification. In edge-level fraud detection on temporal interaction graphs, where false positives and false negatives both carry substantial cost, such coverage guarantees are particularly appealing for risk-aware decision making. However, directly applying existing graph conformal predictors yields inefficient prediction sets due to two recurring properties of fraud data. Fraudulent interactions are often embedded in benign-dominated neighborhoods that dilute calibration signals, while extreme class imbalance leaves scarce labeled-fraud support in the calibration split and leads to overly conservative class-conditional thresholds. To address these issues, we propose ProtoCP, a conformal prediction framework for edge-level fraud detection on temporal graphs. ProtoCP improves calibration efficiency by focusing calibration on fraud-relevant subgraph context and producing more stable nonconformity scores under class imbalance and temporal drift. Specifically, it leverages learned prototypes to suppress benign-dominated noise in the calibration context and introduces a neighborhood-relative scoring mechanism with temporal score diffusion for stable class-conditional calibration. Experiments on four fraud benchmarks (YelpChi, S-FFSD, FTFD, and BankSim) show that ProtoCP achieves the target coverage with consistently smaller prediction sets than state-of-the-art baselines. Our codes are available at https://github.com/Picard1701ent/ProtoCP.git

cs.LG↗

arXiv2026

TSRouter: Dynamic Modality-Model Selection for Time Series Reasoning

Time series reasoning is essential for real-world problem-solving. While both Large Language Models (LLMs) and Vision-Language Models (VLMs) can reason about time-series data, their capabilities are complementary: LLMs process time series as text sequences and thus preserve exact numerical understanding, but struggle with global patterns, whereas VLMs efficiently capture these patterns by visualizing time series but may lose fine-grained details. Moreover, models vary significantly in task-specific expertise and inference costs. Dynamically selecting the most suitable modality and model for each query is therefore crucial, yet challenging because it requires modeling the complex interactions among tasks, queries, modalities, and models, which carry rich contextual signals. To this end, we introduce TSRouter, a graph-based dynamic routing framework. TSRouter constructs a heterogeneous graph of task, query, modality, and model nodes to contextualize the interactions among query characteristics, modality attributes, and model capabilities. TSRouter formulates routing as a candidate scoring problem, where each modality-model pair is evaluated based on user-defined performance-cost preferences to select the optimal candidate. Comprehensive evaluations on 4 distinct time series reasoning tasks reveal that TSRouter substantially outperforms diverse baselines with 16\% to 46\% relative improvements. Furthermore, TSRouter demonstrates robust zero-shot plug-and-play generalization to unseen models and novel tasks and preserves high performance while reducing computational overhead through cost-aware optimization. Our code is available at https://github.com/tianyi-lab/TSRouter.

cs.LG↗

arXiv2026

Hallucination Self-Play: Bootstrapping Reinforced Detector via Evolved Generator

Identifying faithfulness hallucinations in LLM-generated outputs remains challenging due to the scarcity of high-quality annotated data. Recent work relies on advanced LLMs to synthesize training data, including rationales, labels, and hallucinated claims. However, these methods treat the generator as a static component, limiting iterative improvement of the detector. To address this limitation, we introduce Hallucination Self-Play (HSP), a novel framework that enables the detector to bootstrap with an evolved generator. HSP involves two roles initialized from the same base model, a detector that assesses the faithfulness of model outputs, and a generator that produces increasingly hard-to-detect hallucinated responses. Specifically, the detector is first fine-tuned on human-labeled data and then employed as a reward model to train the generator via reinforcement learning from AI feedback (RLAIF). In turn, the evolved generator synthesizes hallucination data to further optimize the detector through rule-based reinforcement learning. Experiments on RAGTruth benchmark and two model families demonstrate that the proposed framework can progressively enhance a small LLM to match or even outperform advanced LLMs without external supervision. Our code is available at https://anonymous.4open.science/r/Hallucination-Self-Play-50B5 .

cs.CL↗

arXiv2026

The Confidence Trap: Calibration Attacks for Graph Neural Networks

While confidence calibration is essential for trustworthy decision-making in safety-critical applications, the robustness of calibrated GNNs to adversarial structural perturbations remains largely unexplored. However, studying calibration attacks on graphs presents unique technical challenges: (1) the discrete nature of graph structures complicates gradient-based optimization, (2) existing underconfidence objectives fail to drive predictions toward uniform distributions, and (3) GNNs are highly sensitive to edge perturbations, often causing unintended label changes that violate attack constraints. To address these challenges, we propose a \textbf{Unified Graph Calibration Attack (UGCA)} framework designed for \textbf{worst-case (white-box) analysis} of GNN calibration robustness. UGCA introduces a KL-divergence loss to encourage uniform predictive distributions, a reranking mechanism to reduce label flipping, a hybrid loss to recover labels when violations occur, and beam search to explore a broader adversarial search space. We further provide theoretical insights linking model generalization, dataset complexity, and calibration vulnerability, showing that models with higher accuracy or trained on datasets with more classes are more susceptible under this threat model. Extensive experiments demonstrate that UGCA substantially increases Expected Calibration Error while preserving classification accuracy. Our code is publicly available at https://github.com/CaptainCuong/Graph-Calibration-Attack.git.

cs.LG↗

arXiv2026

Poise: Position-Aware One-Instruction Skill Injection for Silent Execution on LLM Agents

Agent skills extend general-purpose agents, but their open format enables skill poisoning: a tampered skill can make an agent run an attacker's command while completing the user's legitimate task. Invocation alone is insufficient; the attack-specific action must complete while that task still passes its verifier. We therefore define Attack Success Rate (ASR) to require a postcondition-validated sandbox action and a passing task verifier in the same trial. Skill files expose a reliability-visibility trade-off between a preloaded but conspicuous YAML frontmatter block and a longer body, where arbitrary placement may be skipped or locally incongruent. We introduce Poise, a position-aware attack that uses context-aware generation to place exactly one benign-looking, command-bearing instruction at a structurally feasible body position. On the eligible Skill-Inject pool with codex+gpt-5.2, Poise achieves 89.3\% ASR, 28.0 points above a context-free random-placement body baseline and comparable to the 86.7\% ASR of a high-exposure YAML-only baseline. Under the SkillTester audit, four LLM judges falsely flag 74.6\% of clean skills on average across both benchmarks, while only 5.6\% of Poise variants gain a new high-risk alert over their clean counterparts. One locally plausible, command-bearing body instruction therefore matches YAML-level reliability, while the resulting poisoned skill seldom adds a new high-risk finding over its clean counterpart.

cs.CR↗

arXiv2026

Verifiable Rewards Beyond Math and Code: Lightweight Corpus-Grounded Process Supervision for Factual Question Answering

Applying reinforcement learning to improve factual accuracy in knowledge-intensive question answering faces a reward design dilemma. Response-level rewards provide only coarse supervision and cannot distinguish correct from incorrect statements within a reasoning trace. Sentence-level alternatives offer finer-grained feedback, but typically rely on NLI verifiers, LLM judges, or knowledge-verification pipelines that are expensive to deploy at RL scale and often unreliable for rare-entity facts, where accurate reward signals are especially important. We propose CorVer (Corpus Verify), a lightweight, plug-in-ready process reward that replaces neural verifiers with a corpus-grounded signal derived from Wikipedia co-occurrence statistics. CorVer assigns sentence-level credit and maps it to token-level advantages via a simple alignment, requiring only a 0.5B extractor and a single corpus lookup per sentence. Across 30 (model, benchmark) cells spanning six instruction-tuned models (3B to 14B) and five QA benchmarks, CorVer improves over the raw baseline for every cell, with an average TriviaQA gain of +4.1 pp. It also outperforms four neural-verifier baselines in 18 of 20 cells under their feasible configurations, while training 4.8 to 8.4x faster.

cs.CL↗

arXiv2026

Diagnosing Multi-step Reasoning Failures in Black-box LLMs via Stepwise Confidence Attribution

Large Language Models have achieved strong performance on reasoning tasks with objective answers by generating step-by-step solutions, but diagnosing where a multi-step reasoning trace might fail remains difficult. Confidence estimation offers a diagnostic signal, yet existing methods are restricted to final answers or require internal model access. In this paper, we introduce Stepwise Confidence Attribution (SCA), a framework for closed-source LLMs that assigns step-level confidence based only on generated reasoning traces. SCA applies the Information Bottleneck principle: steps aligning with consensus structures across correct solutions receive high confidence, while deviations are flagged as potentially erroneous. We propose two complementary methods: (1) NIBS, a non-parametric IB approach measuring consistency without graph structures, and (2) GIBS, a graph-based IB model that learns subgraphs through a differentiable mask to capture logical variability. Extensive experiments on mathematical reasoning and multi-hop question answering show that SCA reliably identifies low-confidence steps strongly correlated with reasoning errors. Moreover, using step-level confidence to guide self-correction improves the correction success rate by up to 13.5\% over answer-level feedback.

cs.CL↗

arXiv2026

Stop When Reasoning Converges: Semantic-Preserving Early Exit for Reasoning Models

Large Reasoning Models (LRMs) achieve strong performance by generating long chains of thought (CoT), but often overthink, continuing to reason after a solution has already stabilized and thereby wasting tokens and increasing latency. Existing inference-time early-exit methods rely primarily on answer-level signals, such as confidence or trial-answer consistency, to decide when to stop. However, these signals mainly reflect answer readiness rather than reasoning convergence: they may trigger before the model has finished exploring or self-correcting, causing premature exits that can degrade final-answer accuracy and leave the retained reasoning chain semantically incomplete. We identify reasoning-level semantic redundancy as a complementary signal for semantic-preserving early exit: when successive steps no longer add novel progress and instead revisit established conclusions, the reasoning trajectory has likely converged. Building on this insight, we propose PUMA, a plug-and-play framework that combines a lightweight Redundancy Detector with answer-level verification. The detector flags semantically redundant candidate exits, while verification confirms whether stopping is safe, allowing PUMA to remove redundant continuation while preserving both answer accuracy and a coherent reasoning prefix. Across five LRMs and five challenging reasoning benchmarks, PUMA achieves 26.2% average token reduction while preserving accuracy and retained CoT quality. Additional experiments on code generation, zero-shot vision-language reasoning, and learned stopping-policy internalization further demonstrate that reasoning-level redundancy is a robust, transferable, and learnable signal for efficient reasoning. Our code is available at \url{https://github.com/giovanni-vaccarino/PUMA}.

cs.CL↗

arXiv2026

MOSAIC: Module Discovery via Sparse Additive Identifiable Causal Learning for Scientific Time Series

Causal representation learning (CRL) seeks to recover latent variables with identifiability guarantees, typically up to permutation and component-wise reparameterization under appropriate assumptions. However, identifiability does not imply interpretability: latent semantics are typically assigned post hoc by alignment with known ground-truth factors. This limitation is particularly acute in scientific time series, where underlying mechanisms are unknown and discovering interpretable structure is a primary goal. In contrast, scientific observations (such as residue-pair distances, climate indices, or process sensors) are inherently semantic, as they correspond to named physical quantities. This raises a key question: can the interpretability of observations be transferred to the identifiable latent space? We propose MOSAIC (Module discovery via Sparse Additive Identifiable Causal learning), a sparse temporal VAE that integrates temporal CRL identifiability with support recovery over observed variables. MOSAIC identifies latent variables via regime-conditioned temporal variation, and recovers for each latent a sparse set of associated observations through an additive decoder, yielding module-level interpretability. We show that ANOVA main-effect supports are identifiable under general smooth mixing functions, and provide finite-sample recovery guarantees for a tractable sparse-additive variant. Empirically, MOSAIC recovers domain-consistent variable groups across RNA molecular dynamics, solar wind, ENSO climate, the Tennessee Eastman process, and a synthetic tokamak benchmark, enabling interpretable discovery of latent mechanisms in scientific time series.

cs.LG↗

arXiv2026

Differentiable Conformal Training for LLM Reasoning Factuality

Large Language Models (LLMs) frequently hallucinate, limiting their reliability in critical applications. Conformal Prediction (CP) addresses this by calibrating error rates on held-out data to provide statistically valid confidence guarantees. Recent work extends CP to LLM factuality to filter out risky claims, ensuring that hallucination rates remain below a user-specified level (e.g., 10%). While prior methods treat claims independently, Coherent Factuality extends to multi-step reasoning by representing outputs as dependency graphs and jointly validating claims with their logical ancestors. A key limitation is that Coherent Factuality is not differentiable, requiring hand-crafted scorers that at high reliability levels remove nearly 60% of true claims. We introduce Differentiable Coherent Factuality (DCF), a fully differentiable relaxation that enables learning improved scorers while provably recovering the original algorithm's guarantees. Experiments on two benchmark reasoning datasets demonstrate DCF achieves up to 141% improvement in claim retention while maintaining reliability guarantees, representing a significant step towards reliable conformal LLM systems.

cs.LG↗

arXiv2026

LLM-Guided Safety Agent for Edge Robotics with an ISO-Compliant Perception-Compute-Control Architecture

Ensuring functional safety in human-robot interaction is challenging because AI perception is inherently probabilistic, whereas industrial standards require deterministic behavior. We present an LLM-guided safety agent for edge robotics, built on an ISO-compliant low-latency perception-compute-control architecture. Our method translates natural-language safety regulations into executable predicates and deploys them through a redundant heterogeneous edge runtime. For fault-tolerant closed-loop execution under edge constraints, we adopt a symmetric dual-modular redundancy design with parallel independent execution for low-latency perception, computation, and control. We prototype the system on a dual-RK3588 platform and evaluate it in representative human-robot interaction scenarios. The results demonstrate a practical edge implementation path toward ISO 13849 Category 3 and PL d using cost-effective hardware, supporting practical deployment of safety-critical embodied AI.

cs.RO↗

arXiv2026

Adaptive Stopping for Multi-Turn LLM Reasoning

Large Language Models (LLMs) increasingly rely on multi-turn reasoning and interaction, such as adaptive retrieval-augmented generation (RAG) and ReAct-style agents, to answer difficult questions. These methods improve accuracy by iteratively retrieving information, reasoning, or acting, but introduce a key challenge: \textbf{When should the model stop?} Existing approaches rely on heuristic stopping rules or fixed turn budgets and provide no formal guarantees that the final prediction still contains the correct answer. This limitation is particularly problematic in high-stakes domains such as finance and healthcare, where unnecessary turns increase cost and latency, while stopping too early risks incorrect decisions. Conformal prediction (CP) provides formal coverage guarantees, but existing LLM-CP methods only apply to a single model output and cannot handle multi-turn pipelines with adaptive stopping. To address this gap, we propose Multi-Turn Language Models with Conformal Prediction (MiCP), the first CP framework for multi-turn reasoning. MiCP allocates different error budgets across turns, enabling the model to stop early while maintaining an overall coverage guarantee. We demonstrate MiCP on adaptive RAG and ReAct, where it achieves the target coverage on both single-hop and multi-hop question answering benchmarks while reducing the number of turns, inference cost, and prediction set size. We further introduce a new metric that jointly evaluates coverage validity and answering efficiency.

cs.CL↗

arXiv2026

A Novel Multi-Agent Architecture to Reduce Hallucinations of Large Language Models in Multi-Step Structural Modeling

Large language models (LLMs) such as GPT and Gemini have demonstrated remarkable capabilities in contextual understanding and reasoning. The strong performance of LLMs has sparked growing interest in leveraging them to automate tasks traditionally dependent on human expertise. Recently, LLMs have been integrated into intelligent agents capable of operating structural analysis software (e.g., OpenSees) to construct structural models and perform analyses. However, existing LLMs are limited in handling multi-step structural modeling due to frequent hallucinations and error accumulation during long-sequence operations. To this end, this study presents a novel multi-agent architecture to automate the structural modeling and analysis using OpenSeesPy. First, problem analysis and construction planning agents extract key parameters from user descriptions and formulate a stepwise modeling plan. Node and element agents then operate in parallel to assemble the frame geometry, followed by a load assignment agent. The resulting geometric and load information is translated into executable OpenSeesPy scripts by code translation agents. The proposed architecture is evaluated on a benchmark of 20 frame problems over ten repeated trials, achieving 100% accuracy in 18 cases and 90% in the remaining two. The architecture also significantly improves computational efficiency and demonstrates scalability to larger structural systems.

cs.AI↗

arXiv2026

SafeCRS: Personalized Safety Alignment for LLM-Based Conversational Recommender Systems

Current LLM-based conversational recommender systems (CRS) primarily optimize recommendation accuracy and user satisfaction. We identify an underexplored vulnerability in which recommendation outputs may negatively impact users by violating personalized safety constraints, when individualized safety sensitivities -- such as trauma triggers, self-harm history, or phobias -- are implicitly inferred from the conversation but not respected during recommendation. We formalize this challenge as personalized CRS safety and introduce SafeRec, a new benchmark dataset designed to systematically evaluate safety risks in LLM-based CRS under user-specific constraints. To further address this problem, we propose SafeCRS, a safety-aware training framework that integrates Safe Supervised Fine-Tuning (Safe-SFT) with Safe Group reward-Decoupled Normalization Policy Optimization (Safe-GDPO) to jointly optimize recommendation quality and personalized safety alignment. Extensive experiments on SafeRec demonstrate that SafeCRS reduces safety violation rates by up to 96.5% relative to the strongest recommendation-quality baseline while maintaining competitive recommendation quality. Warning: This paper contains potentially harmful and offensive content.

cs.CL↗

arXiv2026

URAG: A Benchmark for Uncertainty Quantification in Retrieval-Augmented Large Language Models

Retrieval-Augmented Generation (RAG) has emerged as a widely adopted approach for enhancing LLMs in scenarios that demand extensive factual knowledge. However, current RAG evaluations concentrate primarily on correctness, which may not fully capture the impact of retrieval on LLM uncertainty and reliability. To bridge this gap, we introduce URAG, a comprehensive benchmark designed to assess the uncertainty of RAG systems across various fields like healthcare, programming, science, math, and general text. By reformulating open-ended generation tasks into multiple-choice question answering, URAG allows for principled uncertainty quantification via conformal prediction. We apply the evaluation pipeline to 8 standard RAG methods, measuring their performance through both accuracy and prediction-set sizes based on LAC and APS metrics. Our analysis shows that (1) accuracy gains often coincide with reduced uncertainty, but this relationship breaks under retrieval noise; (2) simple modular RAG methods tend to offer better accuracy-uncertainty trade-offs than more complex reasoning pipelines; and (3) no single RAG approach is universally reliable across domains. We further show that (4) retrieval depth, parametric knowledge dependence, and exposure to confidence cues can amplify confident errors and hallucinations. Ultimately, URAG establishes a systematic benchmark for analyzing and enhancing the trustworthiness of retrieval-augmented systems. Our code is available on GitHub.

cs.CL↗