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Large Language Model Agent: A Survey on Methodology, Applications and Challenges

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Table of Contents

2503.21460
Junyu Luo et el.
🤗 2025-03-28

↗ arXiv ↗ Hugging Face

TL;DR
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LLM agents, powered by large language models, are intelligent entities that can perceive environments, reason about goals, and execute actions. Unlike traditional AI, they actively engage through continuous learning & adaptation, marking a technological leap & reimagining human-machine relationships. However, challenges remain to construct high-quality multi-agent system. Therefore, existing research can be fragmented and lack of organized taxonomy, while others examine components separately.

To address these challenges, this survey systematically deconstructs LLM agent systems through construction, collaboration, and evolution. It offers a comprehensive perspective on how agents are built, interact, and evolve, while addressing evaluation, tools, real-world challenges, and applications. The study highlights fundamental connections between agent design principles and emergent behaviors, providing a unified architectural view and identifying promising research directions. The collection is available in github.

Key Takeaways
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Why does it matter?
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This survey is important for researchers to navigate the rapidly evolving landscape of LLM agents. It provides a structured taxonomy for understanding agent architectures, identifies key challenges, and suggests directions for future research. The survey could inspire researchers to develop more robust, reliable, and ethically aligned agent systems.


Visual Insights
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🔼 This figure presents a comprehensive overview of the Large Language Model (LLM) agent ecosystem. It’s structured around four interconnected dimensions: Agent Methodology (construction, collaboration, and evolution), Evaluation and Tools (benchmarks, assessment frameworks, development tools), Real-World Issues (security, privacy, and social impact), and Applications (diverse domains of LLM agent deployment). This framework helps in understanding the entire lifecycle of modern LLM-based agent systems, from their initial design and development to their real-world application and the challenges they present.

read the captionFigure 1: An overview of the LLM agent ecosystem organized into four interconnected dimensions: ❶ Agent Methodology, covering the foundational aspects of construction, collaboration, and evolution; ❷ Evaluation and Tools, presenting benchmarks, assessment frameworks, and development tools; ❸ Real-World Issues, addressing critical concerns around security, privacy, and social impact; and ❹ Applications, highlighting diverse domains where LLM agents are being deployed. We provide a structured framework for understanding the complete lifecycle of modern LLM-based agent systems.
CategoryMethodKey Contribution
Centralized ControlCoscientist [73]Human-centralized experimental control
LLM-Blender [74]Cross-attention response fusion
MetaGPT [27]Role-specialized workflow management
AutoAct [75]Triple-agent task differentiation
Meta-Prompting [76]Meta-prompt task decomposition
WJudge [77]Weak-discriminator validation
Decentralized CollaborationMedAgents [78]Expert voting consensus
ReConcile [79]Multi-agent answer refinement
METAL [115]Domain-specific revision agents
DS-Agent [116]Database-driven revision
MAD [80]Structured anti-degeneration protocols
MADR [81]Verifiable fact-checking critiques
MDebate [82]Stubborn-collaborative consensus
AutoGen [26]Group-chat iterative debates
Hybrid ArchitectureCAMEL [25]Grouped role-play coordination
AFlow [29]Three-tier hybrid planning
EoT [117]Multi-topology collaboration patterns
DiscoGraph [118]Pose-aware distillation
DyLAN [119]Importance-aware topology
MDAgents [120]Complexity-aware routing

🔼 This table categorizes and summarizes various Large Language Model (LLM) agent collaboration methods, contrasting centralized control, decentralized collaboration, and hybrid approaches. Each method is listed with a key contribution, illustrating the different ways LLM agents can interact and work together to achieve a shared goal.

read the captionTABLE I: A summary of agent collaboration methods.

In-depth insights
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Agent Lifecycle
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While the provided paper doesn’t explicitly use the term ‘Agent Lifecycle,’ its content allows us to infer the key stages. The construction phase defines the agent’s architecture, integrating memory, planning, and action execution. Collaboration dictates interaction with other agents or humans, using centralized, decentralized, or hybrid approaches. Finally, evolution focuses on adaptation through self-learning, multi-agent co-evolution, or external knowledge incorporation. This lifecycle underscores the dynamic nature of LLM agents, moving beyond static systems to entities that learn, adapt, and improve over time. Evaluation at every stage is critical.

RAG as Memory
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RAG (Retrieval-Augmented Generation) as memory enhances LLMs by integrating external knowledge, overcoming training data limitations. This paradigm encompasses static knowledge grounding via text corpora or knowledge graphs, interactive retrieval that uses agent dialogues for external queries, and reasoning-integrated retrieval, exemplified by interleaving step-by-step reasoning with dynamic knowledge acquisition. Advanced methods like KG-RAR construct task-specific subgraphs, and DeepRAG balances parametric knowledge with external evidence. These architectures maintain contextual relevance and are critical for scalable memory systems.

Multi-Agent Collab
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Multi-agent collaboration enables LLMs to extend problem-solving beyond individual reasoning. Effective collaboration leverages distributed intelligence, coordinates actions, and refines decisions through multi-agent interactions. Centralized architectures employ a hierarchical coordination mechanism where a central controller organizes agent activities through task allocation and decision integration, while other sub-agents can only communicate with the controller. In decentralized architectures, collaboration enables direct node-to-node interaction through self-organizing protocols. Finally, hybrid architectures strategically combine centralized coordination and decentralized collaboration to balance controllability with flexibility and adapt to heterogeneous task requirements.

Dataset Genesis
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Dataset genesis in LLM agent research focuses on how datasets are created and utilized. This involves exploring methodologies for constructing datasets that effectively train and evaluate LLM agents. A core aspect is the creation of diverse datasets covering various tasks and environments. The method involves the creation of new datasets by multiple agents. Constructing datasets with high-quality labels and annotations is a key challenge, which involves the creation of custom tools. Efficient dataset management practices are crucial to ensure scalability and accessibility. These methods are employed to create realistic testing scenarios to enhance agent robustness. Datasets are also actively curated to improve agent adaptability. Data collection and synthesis is also crucial, to have higher fidelity and trustworthiness for the agents in use.

LLM Privacy
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LLM Privacy is a pressing concern. The inherent memory capabilities of LLMs, while enabling sophisticated interactions, also create vulnerabilities. Data breaches can expose sensitive information learned during training or interaction. Mitigating strategies are vital, focusing on techniques like differential privacy to inject noise during training, thereby obscuring individual data points. Another approach is knowledge distillation, which transfers learned representations from a private model to a public one, minimizing the risk of memorization. Moreover, strict data governance policies and user controls are essential to manage access and retention. The goal is to establish a balance between functionality and responsible handling of private data.

More visual insights
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More on figures

🔼 This figure presents a taxonomy that categorizes the methodologies used in creating large language model (LLM) agents. It’s structured into three main sections: Agent Construction, Agent Collaboration, and Agent Evolution. Each section further breaks down into sub-categories detailing different approaches and techniques used within each stage of agent development. This taxonomy helps to illustrate the different paths researchers and developers take when designing LLM agents, from basic profile definitions to sophisticated multi-agent collaboration mechanisms and strategies for long-term adaptation and improvement.

read the captionFigure 2: A taxonomy of large language model agent methodologies.

🔼 Figure 3 provides a comprehensive overview of the evaluation methods and tools used for Large Language Model (LLM) agents. The figure is divided into two main sections. The left section categorizes various evaluation frameworks based on their scope and focus, including general assessment, domain-specific evaluations, and collaboration-based evaluations. This helps researchers and practitioners understand the different aspects of LLM agent performance and choose the most suitable methods for their specific needs. The right section showcases the various types of tools involved in the LLM agent ecosystem. These include tools utilized by LLM agents during task execution, tools created by LLM agents to extend functionality, and tools required for deploying, managing, and maintaining LLM agents in practical applications.

read the captionFigure 3: An overview of evaluation benchmarks and tools for LLM agents. The left side shows various evaluation frameworks categorized by general assessment, domain-specific evaluation, and collaboration evaluation. The right side illustrates tools used by LLM agents, tools created by agents, and tools for deploying agents.
More on tables
CategoryMethodKey Contribution
Self-Supervised LearningSE [86]Adaptive token masking for pretraining
Evolutionary Optimization [87]Efficient model merging and adaptation
DiverseEvol [88]Improved instruction tuning via diverse data
Self-Reflection & Self-CorrectionSELF-REFINE [89]Iterative self-feedback for refinement
STaR [90]Bootstrapping reasoning with few rationales
V-STaR [91]Training a verifier using DPO
Self-Verification [92]Backward verification for correction
Self-Rewarding & RLSelf-Rewarding [93]LLM-as-a-Judge for self-rewarding
RLCD [94]Contrastive distillation for alignment
RLC [95]Evaluation-generation gap for optimization
Cooperative Co-EvolutionProAgent [96]Intent inference for teamwork
CORY [97]Multi-agent RL fine-tuning
CAMEL [25]Role-playing framework for cooperation
Competitive Co-EvolutionRed-Team LLMs [98]Adversarial robustness training
Multi-Agent Debate [82]Iterative critique for refinement
MAD [99]Debate-driven divergent thinking
Knowledge-Enhanced EvolutionKnowAgent [83]Action knowledge for planning
WKM [84]Synthesizing prior and dynamic knowledge
Feedback-Driven EvolutionCRITIC [100]Tool-assisted self-correction
STE [101]Simulated trial-and-error for tool learning
SelfEvolve [102]Automated debugging and refinement

🔼 This table provides a comprehensive summary of different agent evolution methods categorized by their approach (such as self-supervised learning, self-reflection, and co-evolution). For each method, it lists the key contributions and provides a reference to the relevant research paper. This allows readers to easily compare various techniques used for enhancing LLM agents’ capabilities over time.

read the captionTABLE II: A summary of agent evolution methods.
ReferenceDescription
Adversarial Attacks and Defense
Mo et al. [177]Attack: Adversarial attack benchmark
AgentDojo [178]Attack: Adversarial attack framework
ARE [179]Attack: Adversarial attack evaluation for multimodal agents
GIGA [181]Attack: Generalizable infectious gradient attacks
CheatAgent [180]Attack: Adversarial attack agent for recommender systems
LLAMOS [182]Defense: Purifying adversarial attack input
Chern et al. [183]Defense: Defense via multi-agent debate
Jailbreaking Attacks and Defense
RLTA [184]Attack: Produce jailbreaking prompts via reinforcement learning
Atlas [185]Attack: Jailbreaks text-to-image models with safety filters
RLbreaker [186]Attack: Model jailbreaking as a search problem
PathSeeker [187]Attack: Use multi-agent reinforcement learning to jailbreak
AutoDefense [188]Defense: Multi-agent defense to filter harmful responses
Guardians [189]Defense: Detect rogue agents to counter jailbreaking attacks.
ShieldLearner [190]Defense: Learn attack jailbreaking patterns.
Backdoor Attacks and Defense
DemonAgent [191]Attack: Encrypted muti-backdoor implantation attack
Yang et al. [192]Attack: Backdoor attacks evaluations on LLM-based agents
BadAgent [193]Attack: Inputs or environment cues as backdoors
BadJudge [194]Attack: Backdoor to the LLM-as-a-judge agent system
DarkMind [195]Attack: latent backdoor attack to customized LLM agents
Agent Collaboration Attacks and Defense
CORBA [196]Attack: Multi-agent attack via multi-agent
AiTM [197]Attack: Intercepte and manipulate inter-agent messages
Netsafe [198]Defense: Identify critical safety phenomena in multi-agent networks
G-Safeguard [199]Defense: leverages graph neural networks to detect anomalies
Trustagent [200]Defense: Agent constitution in task planning.
PsySafe [201]Defense: Mitigate safety risks via agent psychology

🔼 This table provides a comprehensive summary of various agent-centric attacks and their corresponding defenses in Large Language Model (LLM) agents. It categorizes attacks by type (Adversarial, Jailbreaking, Backdoor, Model Collaboration) and includes the specific method used for the attack, a description of that attack, and a reference to the source publication. For each attack, the table may also include information about defenses against it.

read the captionTABLE III: Summary of agent-centric attacks and defense in LLM agents.
ReferenceDescription
External Data Attacks and Security
Li et al. [204]Attack: Malicious prefix injection
Psysafe [201]Attack: A dark psychological injection benchmark
Tian et al. [210]Attack: Guide agents into specific role-playing states
InjectAgent [205]Attack: A prompting injection benchmark
Agentdojo [203]Attack: A user injection benchmark
AgentPoison [216]Attack: Poisoning samples in knowledge databases
Nakash et al.[215]Attack: Indirect prompt injection through FITD attack
WIPI [214]Attack: control agents through a public web page
ASB [176]Attack: A multi-type attack benchmark
AgentHarm [223]Attack: A multi-type attack benchmark
Mantis [206]Defense: Hacking back to attackers
Chern et al.[183]Defense: Employ multi-agent debate to verify external knowledge
RTBAS [208]Defense: Check every step of agent information flow
TaskShield [209]Defense: Check every step of agent process
Zhang et al. [201]Defense: Doctor and police agents guard the healthy psychology
Interaction Attacks and Security
Wang et al. [217]Attack: Private memory extraction attack
CORBA [196]Attack: Disrupt the communications among agents
AgentSmith [220]Attack: Poison one agent to infectious other agents
Lee et al. [221]Attack: Conduct injections to self-replicate among agents
He et al. [197]Attack: Inject semantic disruptions to agent communications
BlockAgents [222]Defense: Incorporate blockchain and PoT against byzantine attacks
Abdelnabi et al. [207]Defense: A multi-layer agent firewall

🔼 This table summarizes various data-centric attacks and defense mechanisms targeting Large Language Model (LLM) agents. Data-centric attacks focus on manipulating the input data provided to the LLM agents to cause undesirable outputs or behaviors, rather than directly targeting the model’s internal structure. The table categorizes these attacks based on their approach (external data falsification vs. interaction attacks), and also includes defenses against each type of attack.

read the captionTABLE IV: Summary of data-centric attack and defense in LLM agents.
ReferenceDescription
LM Memorization Vulnerabilities
Carlini et al. [224]Attack: Data Extraction
Huang et al. [226]Attack: Data Extraction on Pretrained LLMs
Mireshghallah et al. [227]Attack: Membership Inference on Fine-Tuned LLMs
Fu et al. [228]Attack: Self-Calibrated Membership Inference
Pan et al. [231]Attack: Attribute Inference in General-Purpose LLMs
Wang et al. [232]Attack: Property Existence Inference in Generative Models
Kandpal et al. [233]Defense: Data Sanitization to Mitigate Memorization
Hoory et al. [229]Defense: Differential Privacy for Pre-Trained LLMs
Kang et al. [230]Defense: Knowledge Distillation for Privacy Preservation
Kim et al. [234]Defense: Privacy Leakage Assessment Tool
LM Intellectual Property Exploitation
Krishna et al. [235]Attack: Model Stealing via Query APIs
Naseh et al. [236]Attack: Stealing Decoding Algorithms of LLMs
Li et al. [237]Attack: Extracting Specialized Code Abilities from LLMs
Shen et al. [240]Attack: Prompt Stealing in Text-to-Image Models
Sha et al. [241]Attack: Prompt Stealing in LLMs
Hui et al. [242]Attack: Closed-Box Prompt Extraction
Kirchenbauer et al. [238]Defense: Model Watermarking for IP Protection
Lin et al. [239]Defense: Blockchain for IP Verification

🔼 This table summarizes various privacy threats associated with Large Language Model (LLM) agents and the corresponding countermeasures. It categorizes privacy threats into two main areas: LLM Memorization Vulnerabilities (data extraction attacks, membership inference attacks, attribute inference attacks) and LLM Intellectual Property Exploitation (model stealing attacks, prompt stealing attacks). For each type of threat, the table lists specific attack methods and relevant references to research papers, along with countermeasures to mitigate these privacy concerns. The countermeasures include techniques like data sanitization, differential privacy, knowledge distillation, model watermarking, and blockchain-based IP protection.

read the captionTABLE V: Summary of privacy threats and countermeasures in LLM agents.
ImpactReference
Benefits to Society
Automation EnhancementFoundation Models [243], GPT-3 [244], LLaMA [245]
Workforce TransformationFoundation Models [243], Redefining Work [246]
Enhance Information DistributionGPT-3 [244], LLaMa [245], Empower Online Education [247]
Ethical Concerns
Bias and DiscriminationFair Use [249], Fair Learning [250]
AccountabilityStochastic Parrots [252], Governance [253, 254]
CopyrightFair Learning [250], Ethics of LLMs [255], AI collapse [256]
Data PrivacyFoundation Models [243], Ethical and Social Risks [257]
Manipulation & MisinformationData-Poisoning Attacks [259]
OthersOverreliance [244], Alignment [261], Carbon Footprint [262], Expenses [263]

🔼 This table presents a comprehensive overview of the societal impacts and ethical considerations associated with the use of Large Language Model (LLM) agents. It categorizes the effects into benefits and ethical concerns, providing specific examples and references for each category. The benefits include automation enhancement, workforce transformation, and improved information distribution. The ethical concerns encompass bias and discrimination, accountability issues, copyright implications, data privacy risks, potential for manipulation and misinformation, and other emerging concerns. This detailed breakdown helps to provide a balanced perspective on the significant influence of LLM agents on society.

read the captionTABLE VI: Overview of Social Impacts and Ethical Considerations in LLM Agents.
MethodDomainCore Idea
Scientific Discovery
SciAgents [266]General SciencesCollaborative hypothesis generation
Curie [267]General SciencesAutomated experimentation
ChemCrow [269]ChemistryTool-augmented synthesis planning
AtomAgents [270]Materials SciencePhysics-aware alloy design
D. Kostunin el al [271]AstronomyTelescope configuration management
BioDiscoveryAgent [273]BiologyGenetic perturbation design
GeneAgent [274]BiologySelf-verifying gene association discovery
RiGPS [275]BiologyBiomarker identification
BioRAG [211]BiologyBiology-focused retrieval augmentation
PathGen-1.6M [276]Medical DatasetPathology image dataset generation
KALIN [277]Biology DatasetScientific question corpus generation
GeneSUM [278]Biology DatasetGene function knowledge maintenance
AgentHospital [281]MedicalVirtual hospital simulation
ClinicalLab [282]MedicalMulti-department diagnostics
AIPatient [283]MedicalPatient simulation
CXR-Agent [284]MedicalChest X-ray interpretation
MedRAX [285]MedicalMultimodal medical reasoning
Gaming
ReAct [33]Game PlayingReasoning and acting in text environments
Voyager [35]Game PlayingLifelong learning in Minecraft
ChessGPT [287]Game PlayingChess gameplay evaluation
GLAM [288]Game PlayingReinforcement learning in text environments
CALYPSO [289]Game GenerationNarrative generation for D&D
GameGPT [290]Game GenerationAutomated game development
Sun et al. [291]Game GenerationInteractive storytelling experience
Social Science
Econagent [292]EconomyEconomic decision simulation
TradingGPT [293]EconomyFinancial trading simulation
CompeteAI [294]EconomyMarket competition modeling
Ma et al. [295]PsychologyMental health support analysis
Zhang et al. [296]PsychologySocial behavior simulation
TE [297]PsychologyPsychological experiment simulation
Generative agents [30]Social SimulationHuman behavior emulation
Liu et al. [298]Social SimulationLearning from social interactions
S3 [299]Social SimulationSocial network behavior modeling
Productivity Tools
SDM [300]Software DevelopmentSelf-collaboration for code generation
ChatDev [301]Software DevelopmentChat-powered development framework
MetaGPT [27]Software DevelopmentMeta-programming for collaboration
Agent4Rec [302]Recommender SystemsUser behavior modeling
AgentCF [303]Recommender SystemsUser-item interaction modeling
MACRec [304]Recommender SystemsMulti-agent recommendation
RecMind [305]Recommender SystemsKnowledge-enhanced recommendation

🔼 This table presents a comprehensive overview of various real-world applications of Large Language Model (LLM) agents across diverse domains. It categorizes applications by field (e.g., scientific discovery, gaming, social sciences, productivity tools) and details the core ideas and methodologies behind each example. This offers a broad perspective on the versatility and potential impact of LLM agents in various sectors.

read the captionTABLE VII: Overview of Applications in LLM Agents.

Full paper
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