LLMs for Cybersecurity

We introduce the Cyber Defense Benchmark, a benchmark for measuring how well large language model (LLM) agents perform the core SOC analyst task of threat hunting: given a database of raw Windows event logs with no guided questions or hints, identify the exact timestamps of malicious events. The benchmark wraps 106 real attack procedures from the OTRF Security-Datasets corpus - spanning 86 MITRE ATT&CK sub-techniques across 12 tactics - into a Gymnasium reinforcement-learning environment. Each episode presents the agent with an in-memory SQLite database of 75,000-135,000 log records produced by a deterministic campaign simulator that time-shifts and entity-obfuscates the raw recordings. The agent must iteratively submit SQL queries to discover malicious event timestamps and explicitly flag them, scored CTF-style against Sigma-rule-derived ground truth. Evaluating five frontier models - Claude Opus 4.6, GPT-5, Gemini 3.1 Pro, Kimi K2.5, and Gemini 3 Flash - on 26 campaigns covering 105 of 106 procedures, we find that all models fail dramatically: the best model (Claude Opus 4.6) submits correct flags for only 3.8% of malicious events on average, and no run across any model ever finds all flags. We define a passing score as >= 50% recall on every ATT&CK tactic - the minimum bar for unsupervised SOC deployment. No model passes: the leader clears this bar on 5 of 13 tactics and the remaining four on zero. These results suggest that current LLMs are poorly suited for open-ended, evidence-driven threat hunting despite strong performance on curated Q&A security benchmarks.

Cross-site scripting (XSS) remains a persistent web security vulnerability, especially because obfuscation can change the surface form of a malicious payload while preserving its behavior. These transformations make it difficult for traditional and machine learning-based detection systems to reliably identify attacks. Existing approaches for generating obfuscated payloads often emphasize syntactic diversity, but they do not always ensure that the generated samples remain behaviorally valid. This paper presents a structured pipeline for generating and evaluating obfuscated XSS payloads using large language models (LLMs). The pipeline combines deterministic transformation techniques with LLM-based generation and uses a browser- based runtime evaluation procedure to compare payload behavior in a controlled execution environment. This allows generated samples to be assessed through observable runtime behavior rather than syntactic similarity alone. In the evaluation, an untuned baseline language model achieves a runtime behavior match rate of 0.15, while fine-tuning on behavior-preserving source-target obfuscation pairs improves the match rate to 0.22. Although this represents a measurable improvement, the results show that current LLMs still struggle to generate obfuscations that preserve observed runtime behavior. A downstream classifier evaluation further shows that adding generated payloads does not improve detection performance in this setting, although behavior- filtered generated samples can be incorporated without materially degrading performance. Overall, the study demonstrates both the promise and the limits of applying generative models to adversarial security data generation and emphasizes the importance of runtime behavior checks in improving the quality of generated data for downstream detection systems.

Large Language Model (LLM) agents are increasingly proposed for autonomous cybersecurity tasks, but their capabilities in realistic offensive settings remain poorly understood. We present DeepRed, an open-source benchmark for evaluating LLM-based agents on realistic Capture The Flag (CTF) challenges in isolated virtualized environments. DeepRed places an agent in a Kali attacker environment with terminal tools and optional web search, connected over a private network to a target challenge, and records full execution traces for analysis. To move beyond binary solved/unsolved outcomes, we introduce a partial-credit scoring method based on challenge-specific checkpoints derived from public writeups, together with an automated summarise-then-judge labelling pipeline for assigning checkpoint completion from logs. Using DeepRed, we benchmark ten commercially accessible LLMs on ten VM-based CTF challenges spanning different challenge categories. The results indicate that current agents remain limited: the best model achieves only 35% average checkpoint completion, performing strongest on common challenge types and weakest on tasks requiring non-standard discovery and longer-horizon adaptation.

LLM-assisted defect discovery has a precision crisis: plausible-but-wrong reports overwhelm maintainers and degrade credibility for real findings. We present Refute-or-Promote, an inference-time reliability pattern combining Stratified Context Hunting (SCH) for candidate generation, adversarial kill mandates, context asymmetry, and a Cross-Model Critic (CMC). Adversarial agents attempt to disprove candidates at each promotion gate; cold-start reviewers are intended to reduce anchoring cascades; cross-family review can catch correlated blind spots that same-family review misses. Over a 31-day campaign across 7 targets (security libraries, the ISO C++ standard, major compilers), the pipeline killed roughly 79% of 171 candidates before advancing to disclosure (retrospective aggregate); on a consolidated-protocol subset (lcms2, wolfSSL; n=30), the prospective kill rate was 83%. Outcomes: 4 CVEs (3 public, 1 embargoed); LWG 4549 accepted to the C++ working paper; 5 merged C++ editorial PRs; 3 compiler conformance bugs; 8 merged security-related fixes without CVE; an RFC 9000 errata filed under committee review; and 1+ FIPS 140-3 normative compliance issues under coordinated disclosure -- all evaluated by external acceptance, not benchmarks. The most instructive failure: ten dedicated reviewers unanimously endorsed a non-existent Bleichenbacher padding oracle in OpenSSL's CMS module; it was killed only by a single empirical test, motivating the mandatory empirical gate. No vulnerability was discovered autonomously; the contribution is external structure that filters LLM agents' persistent false positives. As a preliminary transfer test beyond defect discovery, a simplified cross-family critique variant also solved five previously unsolved SymPy instances on SWE-bench Verified and one SWE-rebench hard task.

We present, to our knowledge, the most comprehensive cross-model evaluation of LLM agents on offensive cybersecurity tasks, benchmarking 10 frontier models from 7 providers on all 200 challenges of the NYU CTF Bench. Building on the D-CIPHER multi-agent framework, we extend it with multi-provider backend support, a custom Kali Linux environment with over 100 pre-installed penetration testing tools, and runtime tool-discovery agents. Through a controlled factorial study, we find that the Kali Linux environment yields a +9.5 percentage-point improvement over Ubuntu, while auto-prompting and category-specific tips often degrade performance in well-equipped environments. Among models, Claude 4.5 Opus achieves the highest solve rate (59%), followed by Gemini 3 Pro (52%), with Gemini 3 Flash offering the best cost-efficiency at $0.05 per solve. Asymmetric planner/executor model assignments provide no meaningful benefit while coherent same-model configurations consistently outperform mixed-tier pairings. Our results indicate that environment tooling and model selection emerge as the strongest drivers of performance, whereas prompt engineering interventions show diminishing or negative returns in well-equipped environments. Reported performance reflects both model reasoning ability and compatibility with agent tooling and API integration.

Code deobfuscation is the task of recovering a readable version of a program while preserving its original behavior. In practice, this often requires days or even months of manual work with complex and expensive analysis tools. In this paper, we explore an alternative approach based on Chain-of-Thought (CoT) prompting, where a large language model is guided through explicit, step-by-step reasoning tailored for code analysis. We focus on control flow obfuscation, including Control Flow Flattening (CFF), Opaque Predicates, and their combination, and we measure both structural recovery of the control flow graph and preservation of program semantics. We evaluate five state-of-the-art large language models and show that CoT prompting significantly improves deobfuscation quality compared with simple prompting. We validate our approach on a diverse set of standard C benchmarks and report results using both structural metrics for control flow graphs and semantic metrics based on output similarity. Among the tested models and by applying CoT, GPT5 achieves the strongest overall performance, with an average gain of about 16% in control-flow graph reconstruction and about 20.5% in semantic preservation across our benchmarks compared to zero-shot prompting. Our results also show that model performance depends not only on the obfuscation level and the chosen obfuscator but also on the intrinsic complexity of the original control flow graph. Collectively, these findings suggest that CoT-guided large language models can serve as effective assistants for code deobfuscation, providing improved code explainability, more faithful control flow graph reconstruction, and better preservation of program behavior while potentially reducing the manual effort needed for reverse engineering.

Large language models (LLMs) increasingly act as autonomous agents, using tools to execute code, read and write files, and access networks, creating novel security risks. To mitigate these risks, agents are commonly deployed and evaluated in isolated "sandbox" environments, often implemented using Docker/OCI containers. We introduce SANDBOXESCAPEBENCH, an open benchmark that safely measures an LLM's capacity to break out of these sandboxes. The benchmark is implemented as an Inspect AI Capture the Flag (CTF) evaluation utilising a nested sandbox architecture with the outer layer containing the flag and no known vulnerabilities. Following a threat model of a motivated adversarial agent with shell access inside a container, SANDBOXESCAPEBENCH covers a spectrum of sandboxescape mechanisms spanning misconfiguration, privilege allocation mistakes, kernel flaws, and runtime/orchestration weaknesses. We find that, when vulnerabilities are added, LLMs are able to identify and exploit them, showing that use of evaluation like SANDBOXESCAPEBENCH is needed to ensure sandboxing continues to provide the encapsulation needed for highly-capable models.

Hardware Trojans (HTs) remain a critical threat because learning-based detectors often overfit to narrow trigger/payload patterns and small, stylized benchmarks. We introduce TrojanGYM, an agentic, LLM-driven framework that automatically curates HT insertions to expose detector blind spots while preserving design correctness. Given high-level HT specifications, a suite of cooperating LLM agents (instantiated with GPT-4, LLaMA-3.3-70B, and Gemini-2.5Pro) proposes and refines RTL modifications that realize diverse triggers and payloads without impacting normal functionality. TrojanGYM implements a feedback-driven benchmark generation loop co-designed with HT detectors, in which constraint-aware syntactic checking and GNN-based HT detectors provide feedback that iteratively refines HT specifications and insertion strategies to better surface detector blind spots. We further propose Robust-GNN4TJ, a new implementation of the GNN4TJ with improved graph extraction, training robustness, and prediction reliability, especially on LLM-generated HT designs. On the most challenging TrojanGYM-generated benchmarks, Robust-GNN4TJ raises HT detection rates from 0% to 60% relative to a prior GNN-based detector. We instantiate TrojanGYM on SRAM, AES-128, and UART designs at RTL level, and show that it systematically produces diverse, functionally correct HTs that reach up to 83.33% evasion rates against modern GNN-based detectors, revealing robustness gaps that are not apparent when these detectors are evaluated solely on existing TrustHub-style benchmarks. Post peer-review, we will release all codes and artifacts.

Vulnerability detection methods based on deep learning (DL) have shown strong performance on benchmark datasets, yet their real-world effectiveness remains underexplored. Recent work suggests that both graph neural network (GNN)-based and transformer-based models, including large language models (LLMs), yield promising results when evaluated on curated benchmark datasets. These datasets are typically characterized by consistent data distributions and heuristic or partially noisy labels. In this study, we systematically evaluate two representative DL models-ReVeal and LineVul-across four representative datasets: Juliet, Devign, BigVul, and ICVul. Each model is trained independently on each respective dataset, and their code representations are analyzed using t-SNE to uncover vulnerability related patterns. To assess realistic applicability, we deploy these models along with four pretrained LLMs, Claude 3.5 Sonnet, GPT-o3-mini, GPT-4o, and GPT-5 on a curated dataset, VentiVul, comprising 20 recently (May 2025) fixed vulnerabilities from the Linux kernel. Our experiments reveal that current models struggle to distinguish vulnerable from non-vulnerable code in representation space and generalize poorly across datasets with differing distributions. When evaluated on VentiVul, our newly constructed time-wise out-of-distribution dataset, performance drops sharply, with most models failing to detect vulnerabilities reliably. These results expose a persistent gap between academic benchmarks and real-world deployment, emphasizing the value of our deployment-oriented evaluation framework and the need for more robust code representations and higher-quality datasets.

Large language models (LLMs) are transforming everyday applications, yet deployment in cybersecurity lags due to a lack of high-quality, domain-specific models and training datasets. To address this gap, we present CyberPal 2.0, a family of cybersecurity-expert small language models (SLMs) ranging from 4B-20B parameters. To train CyberPal 2.0, we generate an enriched chain-of-thought cybersecurity instruction dataset built with our data enrichment and formatting pipeline, SecKnowledge 2.0, which integrates expert-in-the-loop steering of reasoning formats alongside LLM-driven multi-step grounding, yielding higher-fidelity, task-grounded reasoning traces for security tasks. Across diverse cybersecurity benchmarks, CyberPal 2.0 consistently outperforms its baselines and matches or surpasses various open and closed-source frontier models, while remaining a fraction of their size. On core cyber threat intelligence knowledge tasks, our models outperform almost all tested frontier models, ranking second only to Sec-Gemini v1. On core threat-investigation tasks, such as correlating vulnerabilities and bug tickets with weaknesses, our best 20B-parameter model outperforms GPT-4o, o1, o3-mini, and Sec-Gemini v1, ranking first, while our smallest 4B-parameter model ranks second.

The growth of IoT devices in shared environments has outpaced our ability to identify them, posing urgent risks to privacy, safety, and accountability. This challenge is especially pronounced in open-world environments, where network traffic metadata is often sparse, noisy, or adversarial. To address this problem, we introduce a semantic inference pipeline that reframes device identification as a language modeling task over real-world network metadata. As this approach depends on reliable supervision, we first construct high-fidelity vendor labels for the IoT Inspector dataset, the largest real-world corpus of its kind, using an ensemble of large language models guided by mutual-information and entropy-based stability scores. We then instruction-tune a quantized LLaMA 3.1 8B model on this dataset using curriculum learning to support generalization under sparsity and long-tail vendor distributions. Our model achieves 98.69% top-1 and 90.73% macro accuracy across 2,015 vendors, while remaining robust to missing fields, protocol drift, and adversarial manipulation. We also evaluate the model on an independent IoT testbed dataset, assess explanation quality, and conduct adversarial tests to probe robustness under spoofed and obfuscated input. These results position instruction-tuned LLMs as a scalable, interpretable foundation for trustworthy device identification at scale.

Signature-based Intrusion Detection Systems (IDS) detect malicious activity by matching network or host events against predefined rules. Security analysts manually develop these rules from Cyber Threat Intelligence (CTI). As threats evolve, this manual pipeline faces two bottlenecks. Before authoring a new rule, an analyst must reconcile the incoming CTI with the existing rule base and determine whether to create, update, or retire one. This process is challenging due to the representational differences between the CTI and Rule formats. This gap limits the effectiveness of keyword- and embedding-based search, making rule reconciliation cognitively demanding and, in turn, contributing to "rule bloat". Second, automated verification of a new rule is inherently difficult as zero-day threats lack ground truth from simulated testing. Hence, standard metrics cannot prove that a rule semantically adheres to the CTI, and the use of LLMs leads to non-deterministic behavior. To address these challenges, we introduce FALCON, an agentic framework for CTI-grounded rule retrieval, generation, and validation. At its core, a novel CTI-Rule semantic scorer, quantifies the functional alignment between a CTI and a rule; the same signal drives a retriever that surfaces relevant deployed rules and a ground-truth-free validator that scores generated ones. Around it, a generation pipeline produces deployable rules from CTI in real time and refines them through self-reflective syntactic, semantic, and performance validators. Across network (Snort) and host-based (YARA) platforms on a purpose-built CTI-Rule dataset, FALCON attains a mean relevance of 0.72 (approx), with 84% inter-rater agreement among cybersecurity analysts, underscoring the promise of real-time security automation.

The increasing scale of AI workloads demands High-Performance Computing (HPC) infrastructure and training methodologies that are both scalable and sustainable. While Large Language Models (LLMs) demonstrate exceptional natural language capabilities, general-purpose models often lack the specialized domain knowledge necessary for effective cybersecurity analysis. We investigate Domain-Adaptive Continuous Pretraining (DAP) as a scalable, resource-efficient methodology for enhancing cybersecurity understanding in pretrained LLMs, implemented through a distributed Fully Sharded Data Parallel (FSDP) pipeline across multi-node GPU clusters. We systematically adapted three decoder-based architectures -- Llama-3.1-8B, DeepSeek-R1-Distill-Qwen-14B, and Llama-3.3-70B-Instruct -- using a curated 126-million-word cybersecurity corpus from standards, academic literature, and technical documentation. Evaluation across three cybersecurity benchmarks -- CTI-MCQ, CyberMetric, and SecEval -- demonstrates consistent improvements post-adaptation. Notably, our Llama-3.3-70B-Ins-DAP model achieves state-of-the-art performance with accuracies of 0.718, 0.933, and 0.864, respectively, surpassing parameter-efficient baselines and specialized models including Llama-Primus-Base (trained on 2.77 billion tokens) and Foundation-Sec-8B (trained on 5 billion tokens), despite utilizing only 118.8 million tokens -- representing a 23-to-42-fold reduction in training data. Targeted continuous pretraining via scalable HPC infrastructure enables effective cybersecurity domain adaptation with a substantially reduced computational and energy footprint, supporting specialized AI assistants in threat analysis, vulnerability assessment, and security documentation, while advancing sustainable and responsible AI development.

The Web3 ecosystem, underpinned by cryptographic primitives and decentralized consensus, represents a high-stakes environment where software vulnerabilities and incentive misalignments translate directly into financial loss. As Large Language Models (LLMs) are increasingly integrated into this domain for tasks ranging from smart contract auditing to decentralized finance analytics, ensuring their reliability is paramount. However, general-purpose benchmarks fail to capture the specialized reasoning required for these adversarial and protocol-driven settings. To bridge this gap, we introduce DMind Benchmark, a comprehensive evaluation suite designed to rigorously assess LLM proficiency across the Web3 stack. DMind Benchmark encompasses nine distinct subdomains (spanning infrastructure, smart contracts, token economics, etc.) and combines objective knowledge retrieval with complex open-ended reasoning tasks that emulate real-world operational challenges. We conduct an extensive evaluation of 31 leading proprietary and open-weights models, employing a contamination-aware pipeline and verifying the statistical robustness of our scoring protocol through rigorous cross-judge consistency checks. Our analysis reveals a critical dichotomy: while models demonstrate competence in foundational infrastructure concepts, they exhibit significant vulnerabilities in high-reasoning tasks such as security auditing. Furthermore, we provide a Pareto analysis to guide cost-effective deployment and demonstrate through adversarial experiments that high performance on DMind Benchmark necessitates genuine reasoning rather than superficial memorization. Since its open-source release in April 2025, DMind Benchmark achieved the #1 trending position on Hugging Face for nearly a week and accumulated over 13k downloads by June 2026, establishing itself as a standard for advancing secure and trustworthy AI in Web3.

Cryptocurrencies are widely used, yet current methods for analyzing transactions often rely on opaque, black-box models. While these models may achieve high performance, their outputs are usually difficult to interpret and adapt, making it challenging to capture nuanced behavioral patterns. Large language models (LLMs) have the potential to address these gaps, but their capabilities in this area remain largely unexplored, particularly in cybercrime detection. In this paper, we test this hypothesis by applying LLMs to real-world cryptocurrency transaction graphs, with a focus on Bitcoin, one of the most studied and widely adopted blockchain networks. We introduce a three-tiered framework to assess LLM capabilities: foundational metrics, characteristic overview, and contextual interpretation. This includes a new, human-readable graph representation format, LLM4TG, and a connectivity-enhanced transaction graph sampling algorithm, CETraS. Together, they significantly reduce token requirements, transforming the analysis of multiple moderately large-scale transaction graphs with LLMs from nearly impossible to feasible under strict token limits. Experimental results demonstrate that LLMs have outstanding performance on foundational metrics and characteristic overview, where the accuracy of recognizing most basic information at the node level exceeds 98.50% and the proportion of obtaining meaningful characteristics reaches 95.00%. Regarding contextual interpretation, LLMs also demonstrate strong performance in classification tasks, even with very limited labeled data, where top-3 accuracy reaches 72.43% with explanations. While the explanations are not always fully accurate, they highlight the strong potential of LLMs in this domain. At the same time, several limitations persist, which we discuss along with directions for future research.

Supervised-learning-based vulnerability detectors often fall short due to limited labelled training data. In contrast, Large Language Models (LLMs) are trained on vast unlabelled code corpora, yet perform only marginally better than coin flips when directly prompted to detect vulnerabilities. In this paper, we reframe vulnerability detection as anomaly detection, based on the premise that vulnerable code is rare and thus anomalous relative to patterns learned by LLMs. We introduce ANVIL, which performs a masked code reconstruction task: The LLM reconstructs a masked line of code, and deviations from the original are scored as anomalies. We propose a hybrid anomaly score that combines exact match, cross-entropy loss, prediction confidence, and structural complexity. We evaluate our approach across multiple LLM families, scoring methods, and context sizes, and against vulnerabilities after the LLM's training cut-off. On the PrimeVul dataset, ANVIL outperforms state-of-the-art supervised detectors - LineVul, LineVD, and LLMAO - achieving up to 2x higher Top-3 accuracy, 75% better Normalized MFR, and a significant improvement on ROC-AUC. Finally, by integrating ANVIL with fuzzers, we uncover two previously unknown vulnerabilities, demonstrating the practical utility of anomaly-guided detection.