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Junjie Wang

Publications and source records attributed to Junjie Wang.

At least 91 records · Page 5Linked to original sources
arXiv2026

AutoEG: Exploiting Known Third-Party Vulnerabilities in Black-Box Web Applications

Large-scale web applications are widely deployed with complex third-party components, inheriting security risks arising from component vulnerabilities. Security assessment is therefore required to determine whether such known vulnerabilities remain practically exploitable in real applications. Penetration testing is a widely adopted approach that validates exploitability by launching concrete attacks against known vulnerabilities in real-world black-box systems. However, existing approaches often fail to automatically generate reliable exploits, limiting their effectiveness in practical security assessment. This limitation mainly stems from two issues: (1) precisely triggering vulnerabilities with correct technical details, and (2) adapting exploits to diverse real-world deployment settings. In this paper, we propose AutoEG, a fully automated multi-agent framework for exploit generation targeting black-box web applications. AutoEG has two phases: First, AutoEG extracts precise vulnerability trigger logic from unstructured vulnerability information and encapsulates it into reusable trigger functions. Second, AutoEG uses trigger functions for concrete attack objectives and iteratively refines exploits through feedback-driven interaction with the target application. We evaluate AutoEG on 104 real-world vulnerabilities with 29 attack objectives, resulting in 660 exploitation tasks and 55,440 exploit attempts. AutoEG achieves an average success rate of 82.41%, substantially outperforming state-of-the-art baselines, whose best performance reaches only 32.88%.

cs.CR↗
arXiv2026

NMRPeak: a ready-to-use intelligent system for molecular structure elucidation enabled by synergistic cross-modal learning

One-dimensional nuclear magnetic resonance (NMR) spectroscopy is essential for molecular structure elucidation in organic synthesis, drug discovery, natural product characterization, and metabolomics, yet its interpretation remains heavily dependent on expert knowledge and difficult to scale. Although machine learning has been applied to NMR spectrum prediction, library retrieval, and structure generation, these tasks have evolved in isolation using simulated data and incompatible spectral representations, limiting their utility under real experimental scenarios. Here we present NMRPeak, a unified cross-modal learning system that integrates these three tasks through experimentally grounded design. We curate approximately 1.8 million experimental and simulated spectra to construct the largest benchmark for NMR-based structure elucidation and systematically quantify the distribution shift between these domains. We introduce a chemically-aware adaptive tokenizer that dynamically balances discretization granularity to preserve spectral semantics while controlling vocabulary size, and an assignment-free peak-aware similarity metric that enables direct comparison between predicted and experimental spectra. Through a unified molecule-to-spectrum paradigm and synergistic coupling of prediction, retrieval, and generation modules, NMRPeak achieves transformative performance on experimental benchmarks: it overcomes the longstanding simulation-to-experiment gap in spectrum prediction while delivering over 95% top-1 accuracy in molecular retrieval and approximately 75% top-1 accuracy in stereochemistry-aware de novo structure generation. These capabilities establish a foundation for automated, high-throughput molecular structure elucidation in organic synthesis, drug discovery, and chemical biology.

cond-mat.mtrl-sci↗
arXiv2026

Mitigating the Reasoning Tax in Vision-Language Fine-Tuning with Input-Adaptive Depth Aggregation

Supervised fine-tuning (SFT) on visual instruction data often improves perceptual capabilities in vision-language models (VLMs) while degrading reasoning performance, creating a persistent reasoning tax during post-training. We investigate whether this degradation is related to disrupted access to depth-wise representations, and find that even fixed cross-depth aggregation substantially restores reasoning, suggesting that preserved cross-depth access is an important missing factor in VLM fine-tuning. Building on this observation, we propose Input-Adaptive Depth Aggregation (IADA), a lightweight mechanism that makes cross-depth retrieval input-adaptive, modality-aware, and efficiently parameterized through a low-rank bottleneck. On Qwen3-VL-2B, IADA improves the average reasoning score by 9.5 points and the average perception score by $3.3$ points over LoRA-only fine-tuning with only 0.14M additional parameters, with the strongest gains appearing in parameter-efficient low-rank settings.

cs.CV↗
arXiv2026

GPU-MetaD: Full-Life-Cycle GPU Accelerated Metadynamics with Machine Learning Potentials

Large-scale molecular dynamics simulations with high accuracy have been increasingly popular for their capability to bridge the gap between atomistic modeling and mesoscale phenomena. Both machine learning potentials and enhanced sampling approaches offer substantial improvements in high-accuracy simulation efficiency, which can be further boosted through GPU acceleration. However, an efficient framework combining these advances for extending simulations to large systems and long timescales remains elusive. In this work, we proposed a full-life-cycle GPU accelerated metadynamics simulations package GPU-MetaD. Benchmarking across molecular, interface, and bulk systems demonstrates that GPU-MetaD efficiently handles diverse atomic systems and delivers an order-of-magnitude performance improvement. Building on this demonstrated capability, it enables ab-initio-level rare-event sampling for systems comprising millions of atoms on a typical single GPU. This capability allows us to reveal a previously unknown size-dependent two-step nucleation mechanism in gallium nitride (GaN), highlighting the potential of GPU-MetaD for uncovering complex rare events in realistic large-scale materials systems.

physics.comp-ph↗
arXiv2026

Evontree: Ontology Rule-Guided Self-Evolution of Large Language Models

Although Large Language Models (LLMs) perform exceptionally well in general domains, the problem of hallucinations poses significant risks in specialized fields such as healthcare and law, where high interpretability is essential. Existing fine-tuning methods depend heavily on large-scale professional datasets, which are often hard to obtain due to the privacy regulations. Moreover, existing self-evolution methods are primarily designed for general domains, which may struggle to adapt to knowledge-intensive domains due to the lack of knowledge constraints. In this paper, we propose an ontology rule guided method Evontree to enable self-evolution of LLMs in low-resource specialized domains. Specifically, Evontree first extracts domain ontology knowledge from raw models, then detects knowledge inconsistencies using two core ontology rules, and finally reinforces gap knowledge into model via self-distilled fine-tuning. Extensive evaluations on medical QA benchmarks using Llama3-8B-Instruct and Med42-V2 demonstrate the effectiveness of Evontree, which outperforms both the base models and strong baselines, achieving up to a 3.7\% improvement in accuracy. Detailed ablation studies further validate the robustness of our approach.

cs.CL↗
arXiv2026

Uni-Parser Technical Report

This technical report introduces Uni-Parser, an industrial-grade document parsing engine tailored for scientific literature and patents, delivering high throughput, robust accuracy, and cost efficiency. Unlike pipeline-based document parsing methods, Uni-Parser employs a modular, loosely coupled multi-expert architecture that preserves fine-grained cross-modal alignments across text, equations, tables, figures, and chemical structures, while remaining easily extensible to emerging modalities. The system incorporates adaptive GPU load balancing, distributed inference, dynamic module orchestration, and configurable modes that support either holistic or modality-specific parsing. Optimized for large-scale cloud deployment, Uni-Parser achieves a processing rate of up to 20 PDF pages per second on 8 x NVIDIA RTX 4090D GPUs, enabling cost-efficient inference across billions of pages. This level of scalability facilitates a broad spectrum of downstream applications, ranging from literature retrieval and summarization to the extraction of chemical structures, reaction schemes, and bioactivity data, as well as the curation of large-scale corpora for training next-generation large language models and AI4Science models.

cs.CV↗
arXiv2026

A Survey of Reasoning in Autonomous Driving Systems: Open Challenges and Emerging Paradigms

The development of high-level autonomous driving (AD) is shifting from perception-centric limitations to a more fundamental bottleneck, namely, a deficit in robust and generalizable reasoning. Although current AD systems manage structured environments, they consistently falter in long-tail scenarios and complex social interactions that require human-like judgment. Meanwhile, the advent of large language and multimodal models (LLMs and MLLMs) presents a transformative opportunity to integrate a powerful cognitive engine into AD systems, moving beyond pattern matching toward genuine comprehension. However, a systematic framework to guide this integration is critically lacking. To bridge this gap, we provide a comprehensive review of this emerging field and argue that reasoning should be elevated from a modular component to the system's cognitive core. Specifically, we first propose a novel Cognitive Hierarchy to decompose the monolithic driving task according to its cognitive and interactive complexity. Building on this, we further derive and systematize seven core reasoning challenges, such as the responsiveness-reasoning trade-off and social-game reasoning. Furthermore, we conduct a dual-perspective review of the state-of-the-art, analyzing both system-centric approaches to architecting intelligent agents and evaluation-centric practices for their validation. Our analysis reveals a clear trend toward holistic and interpretable "glass-box" agents. In conclusion, we identify a fundamental and unresolved tension between the high-latency, deliberative nature of LLM-based reasoning and the millisecond-scale, safety-critical demands of vehicle control. For future work, a primary objective is to bridge the symbolic-to-physical gap by developing verifiable neuro-symbolic architectures, robust reasoning under uncertainty, and scalable models for implicit social negotiation.

cs.AI↗
arXiv2026

DynaTrust: Defending Multi-Agent Systems Against Sleeper Agents via Dynamic Trust Graphs

Large Language Model-based Multi-Agent Systems (MAS) have demonstrated remarkable collaborative reasoning capabilities but introduce new attack surfaces, such as the sleeper agent, which behave benignly during routine operation and gradually accumulate trust, only revealing malicious behaviors when specific conditions or triggers are met. Existing defense works primarily focus on static graph optimization or hierarchical data management, often failing to adapt to evolving adversarial strategies or suffering from high false-positive rates (FPR) due to rigid blocking policies. To address this, we propose DynaTrust, a novel defense method against sleeper agents. DynaTrust models MAS as a dynamic trust graph~(DTG), and treats trust as a continuous, evolving process rather than a static attribute. It dynamically updates the trust of each agent based on its historical behaviors and the confidence of selected expert agents. Instead of simply blocking, DynaTrust autonomously restructures the graph to isolate compromised agents and restore task connectivity to ensure the usability of MAS. To assess the effectiveness of DynaTrust, we evaluate it on mixed benchmarks derived from AdvBench and HumanEval. The results demonstrate that DynaTrust outperforms the state-of-the-art method AgentShield by increasing the defense success rate by 41.7%, achieving rates exceeding 86% under adversarial conditions. Furthermore, it effectively balances security with utility by significantly reducing FPR, ensuring uninterrupted system operations through graph adaptation.

cs.AI↗
arXiv2026

SemFuzz: A Semantics-Aware Fuzzing Framework for Network Protocol Implementations

Network protocols are the foundation of modern communication, yet their implementations often contain semantic vulnerabilities stemming from inadequate understanding of specification semantics. Existing gray-box and black-box testing approaches lack semantic modeling of protocols, making it difficult to precisely express testing intent and cover boundary conditions. Moreover, they typically rely on coarse-grained oracles such as crashes, which are inadequate for identifying deep semantic vulnerabilities. To address these limitations, we present a semantics-aware fuzzing framework, SemFuzz. The framework leverages large language models to extract structured semantic rules from RFC documents and generates test cases that intentionally violate these rules to encode specific testing intents. It then detects deep semantic vulnerabilities by comparing the observed responses with the expected ones. Evaluation on seven widely deployed protocol implementations shows that SemFuzz identified sixteen potential vulnerabilities, ten of which have been confirmed. Among the confirmed vulnerabilities, five were previously unknown and four have been assigned CVEs. These results demonstrate the effectiveness of SemFuzz in detecting semantic vulnerabilities.

cs.CR↗
arXiv2026

VeriWeb: Verifiable Long-Chain Web Benchmark for Agentic Information-Seeking

Recent advances have showcased the extraordinary capabilities of Large Language Model (LLM) agents in tackling web-based information-seeking tasks. However, existing efforts mainly focus on single-fact retrieval and rely on outcome-only verification, thereby limiting their scalability in realistic knowledge-intensive scenarios that involve long-horizon web tasks requiring large-scale retrieval and synthesis of information from diverse sources. In this work, we introduce VeriWeb, a novel verifiable long-chain web benchmark designed to facilitate the evaluation and development of web agents within realistic web environments. Our benchmark emphasizes two critical dimensions: (1) long-chain complexity, encompassing both breadth- and depth-oriented search tasks to assess how effectively web agents ensure comprehensive information coverage and consistent context tracking in multi-hop reasoning; and (2) subtask-level verifiability, where tasks are decomposed into a sequence of interdependent verifiable subtasks. This structure enables diverse exploration strategies within each subtask, while ensuring that each subtask-level answer remains unchanged and verifiable. The benchmark consists of 302 tasks across five real-world domains, each with a complete trajectory demonstration, annotated by human experts. Extensive experiments on VeriWeb using various agents powered by different foundation models reveal significant performance gaps in handling long-horizon web tasks, highlighting the need for more powerful agentic information-seeking capabilities.

cs.HC↗
arXiv2026

Demystifying the Lifecycle of Failures in Platform-Orchestrated Agentic Workflows

Agentic workflows built on low-code orchestration platforms enable rapid development of multi-agent systems, but they also introduce new and poorly understood failure modes that hinder reliability and maintainability. Unlike traditional software systems, failures in agentic workflows often propagate across heterogeneous nodes through natural-language interactions, tool invocations, and dynamic control logic, making failure attribution and repair particularly challenging. In this paper, we present an empirical study of platform-orchestrated agentic workflows from a failure lifecycle perspective, with the goal of characterizing failure manifestations, identifying underlying root causes, and examining corresponding repair strategies. We present AgentFail, a dataset of 307 real-world failure cases collected from two representative agentic workflow platforms. Based on this dataset, we analyze failure patterns, root causes, and repair difficulty for various failure root causes and nodes in the workflow. Our findings reveal key failure mechanisms in agentic workflows and provide actionable guidelines for reliable failure repair, and real-world agentic workflow design.

cs.AI↗
arXiv2026

From Flat Logs to Causal Graphs: Hierarchical Failure Attribution for LLM-based Multi-Agent Systems

LLM-powered Multi-Agent Systems (MAS) have demonstrated remarkable capabilities in complex domains but suffer from inherent fragility and opaque failure mechanisms. Existing failure attribution methods, whether relying on direct prompting, costly replays, or supervised fine-tuning, typically treat execution logs as flat sequences. This linear perspective fails to disentangle the intricate causal links inherent to MAS, leading to weak observability and ambiguous responsibility boundaries. To address these challenges, we propose CHIEF, a novel framework that transforms chaotic trajectories into a structured hierarchical causal graph. It then employs hierarchical oracle-guided backtracking to efficiently prune the search space via sybthesized virtual oracles. Finally, it implements counterfactual attribution via a progressive causal screening strategy to rigorously distinguish true root causes from propagated symptoms. Experiments on Who&When benchmark show that CHIEF outperforms eight strong and state-of-the-art baselines on both agent- and step-level accuracy. Ablation studies further confirm the critical role of each proposed module.

cs.AI↗
arXiv2026

OneLatent: Single-Token Compression for Visual Latent Reasoning

Chain-of-thought (CoT) prompting improves reasoning but often increases inference cost by one to two orders of magnitude. To address these challenges, we present \textbf{OneLatent}, a framework that compresses intermediate reasoning into a single latent token via supervision from rendered CoT images and DeepSeek-OCR hidden states. By rendering textual steps into images, we obtain a deterministic supervision signal that can be inspected and audited without requiring the model to output verbose textual rationales. Across benchmarks, OneLatent reduces average output length by $11\times$ with only a $2.21\%$ average accuracy drop relative to textual CoT, while improving output token contribution (OTC) by $6.8\times$. On long-chain logical reasoning, OneLatent reaches $99.80\%$ on ProntoQA and $97.80\%$ on ProsQA with one latent token, with compression up to $87.4\times$, supporting compression-constrained generalization.

cs.AI↗
arXiv2026

A Precise Real-Time Force-Aware Grasping System for Robust Aerial Manipulation

Aerial manipulation requires force-aware capabilities to enable safe and effective grasping and physical interaction. Previous works often rely on heavy, expensive force sensors unsuitable for typical quadrotor platforms, or perform grasping without force feedback, risking damage to fragile objects. To address these limitations, we propose a novel force-aware grasping framework incorporating six low-cost, sensitive skin-like tactile sensors. We introduce a magnetic-based tactile sensing module that provides high-precision three-dimensional force measurements. We eliminate geomagnetic interference through a reference Hall sensor and simplify the calibration process compared to previous work. The proposed framework enables precise force-aware grasping control, allowing safe manipulation of fragile objects and real-time weight measurement of grasped items. The system is validated through comprehensive real-world experiments, including balloon grasping, dynamic load variation tests, and ablation studies, demonstrating its effectiveness in various aerial manipulation scenarios. Our approach achieves fully onboard operation without external motion capture systems, significantly enhancing the practicality of force-sensitive aerial manipulation. The supplementary video is available at: https://www.youtube.com/watch?v=mbcZkrJEf1I.

cs.RO↗
arXiv2026

CoWork-X: Experience-Optimized Co-Evolution for Multi-Agent Collaboration System

Large language models are enabling language-conditioned agents in interactive environments, but highly cooperative tasks often impose two simultaneous constraints: sub-second real-time coordination and sustained multi-episode adaptation under a strict online token budget. Existing approaches either rely on frequent in-episode reasoning that induces latency and timing jitter, or deliver post-episode improvements through unstructured text that is difficult to compile into reliable low-cost execution. We propose CoWork-X, an active co-evolution framework that casts peer collaboration as a closed-loop optimization problem across episodes, inspired by fast--slow memory separation. CoWork-X instantiates a Skill-Agent that executes via HTN (hierarchical task network)-based skill retrieval from a structured, interpretable, and compositional skill library, and a post-episode Co-Optimizer that performs patch-style skill consolidation with explicit budget constraints and drift regularization. Experiments in challenging Overcooked-AI-like realtime collaboration benchmarks demonstrate that CoWork-X achieves stable, cumulative performance gains while steadily reducing online latency and token usage.

cs.CL↗
arXiv2026

Canzona: A Unified, Asynchronous, and Load-Balanced Framework for Distributed Matrix-based Optimizers

The scaling of Large Language Models (LLMs) drives interest in matrix-based optimizers (e.g., Shampoo, Muon, SOAP) for their convergence efficiency; yet their requirement for holistic updates conflicts with the tensor fragmentation in distributed frameworks like Megatron. Existing solutions are suboptimal: synchronous approaches suffer from computational redundancy, while layer-wise partitioning fails to reconcile this conflict without violating the geometric constraints of efficient communication primitives. To bridge this gap, we propose Canzona, a Unified, Asynchronous, and Load-Balanced framework that decouples logical optimizer assignment from physical parameter distribution. For Data Parallelism, we introduce an alpha-Balanced Static Partitioning strategy that respects atomicity while neutralizing the load imbalance. For Tensor Parallelism, we design an Asynchronous Compute pipeline utilizing Micro-Group Scheduling to batch fragmented updates and hide reconstruction overhead. Extensive evaluations on the Qwen3 model family (up to 32B parameters) on 256 GPUs demonstrate that our approach preserves the efficiency of established parallel architectures, achieving a 1.57x speedup in end-to-end iteration time and reducing optimizer step latency by 5.8x compared to the baseline.

cs.DC↗
arXiv2026

CTRL-RAG: Contrastive Likelihood Reward Based Reinforcement Learning for Context-Faithful RAG Models

With the growing use of Retrieval-Augmented Generation (RAG), training large language models (LLMs) for context-sensitive reasoning and faithfulness is increasingly important. Existing RAG-oriented reinforcement learning (RL) methods rely on external rewards that often fail to evaluate document faithfulness, and may misjudge similar answers in open-domain settings. In addition, there is no RAG-based selfreward mechanism. Moreover, although such a mechanism could in principle estimate answer confidence given documents, the absence of objective feedback in a self-judgment can cause hallucination accumulation and eventual model collapse. To tackle these issues, we propose a novel "internal-external" hybrid reward framework centered on a Contrastive Likelihood Reward (CLR). CLR directly optimizes the log-likelihood gap between responses conditioned on prompts with and without supporting evidence. This encourages the model to extract relevant evidence and increases its confidence when grounded in a specific context. Experiments show that our method (used alone or combined with external correctness rewards) achieves strong performance on singlehop, multi-hop, vertical-domain, and faithfulness benchmarks. Our training code and models are coming soon.

cs.CL↗
arXiv2026

RxnBench: A Multimodal Benchmark for Evaluating Large Language Models on Chemical Reaction Understanding from Scientific Literature

The integration of Multimodal Large Language Models (MLLMs) into chemistry promises to revolutionize scientific discovery, yet their ability to comprehend the dense, graphical language of reactions within authentic literature remains underexplored. Here, we introduce RxnBench, a multi-tiered benchmark designed to rigorously evaluate MLLMs on chemical reaction understanding from scientific PDFs. RxnBench comprises two tasks: Single-Figure QA (SF-QA), which tests fine-grained visual perception and mechanistic reasoning using 1,525 questions derived from 305 curated reaction schemes, and Full-Document QA (FD-QA), which challenges models to synthesize information from 108 articles, requiring cross-modal integration of text, schemes, and tables. Our evaluation of MLLMs reveals a critical capability gap: while models excel at extracting explicit text, they struggle with deep chemical logic and precise structural recognition. Notably, models with inference-time reasoning significantly outperform standard architectures, yet none achieve 50\% accuracy on FD-QA. These findings underscore the urgent need for domain-specific visual encoders and stronger reasoning engines to advance autonomous AI chemists.

cs.CV↗