Daily Papers

Differential Diagnosis (DDx) is a fundamental yet complex aspect of clinical decision-making, in which physicians iteratively refine a ranked list of possible diseases based on symptoms, antecedents, and medical knowledge. While recent advances in large language models (LLMs) have shown promise in supporting DDx, existing approaches face key limitations, including single-dataset evaluations, isolated optimization of components, unrealistic assumptions about complete patient profiles, and single-attempt diagnosis. We introduce a Modular Explainable DDx Agent (MEDDxAgent) framework designed for interactive DDx, where diagnostic reasoning evolves through iterative learning, rather than assuming a complete patient profile is accessible. MEDDxAgent integrates three modular components: (1) an orchestrator (DDxDriver), (2) a history taking simulator, and (3) two specialized agents for knowledge retrieval and diagnosis strategy. To ensure robust evaluation, we introduce a comprehensive DDx benchmark covering respiratory, skin, and rare diseases. We analyze single-turn diagnostic approaches and demonstrate the importance of iterative refinement when patient profiles are not available at the outset. Our broad evaluation demonstrates that MEDDxAgent achieves over 10% accuracy improvements in interactive DDx across both large and small LLMs, while offering critical explainability into its diagnostic reasoning process.

As Artificial Intelligence systems evolve from monolithic models to ecosystems of specialized agents, the need for standardized communication protocols becomes increasingly critical. This paper introduces MOD-X (Modular Open Decentralized eXchange), a novel architectural framework proposal for agent interoperability that addresses key limitations of existing protocols. Unlike current approaches, MOD-X proposes a layered architecture with a Universal Message Bus, thorough state management, translation capabilities, and blockchain-based security mechanisms. We present MOD-X's architecture, compare it with existing protocols, and demonstrate its application through a worked example how it enables integration between heterogeneous specialist agents (agents with different architectures, vendors, capabilities, and knowledge representations--including rule-based systems, neural networks, symbolic reasoning engines, and legacy software with agent wrappers). MOD-X's key innovations include a publish-subscribe communication model, semantic capability discovery, and dynamic workflow orchestration--providing a framework that bridges theoretical formalism with practical implementation. This architecture addresses the growing need for truly decentralized, interoperable agent ecosystems that can scale effectively without the need for central coordination.

Procedural Content Generation (PCG) offers scalable methods for algorithmically creating complex, customizable worlds. However, controlling these pipelines requires the precise configuration of opaque technical parameters. We propose a training-free architecture that utilizes LLM agents for zero-shot PCG parameter configuration. While Large Language Models (LLMs) promise a natural language interface for PCG tools, off-the-shelf models often fail to bridge the semantic gap between abstract user instructions and strict parameter specifications. Our system pairs an Actor agent with a Critic agent, enabling an iterative workflow where the system autonomously reasons over tool parameters and refines configurations to progressively align with human design preferences. We validate this approach on the generation of various 3D maps, establishing a new benchmark for instruction-following in PCG. Experiments demonstrate that our approach outperforms single-agent baselines, producing diverse and structurally valid environments from natural language descriptions. These results demonstrate that off-the-shelf LLMs can be effectively repurposed as generalized agents for arbitrary PCG tools. By shifting the burden from model training to architectural reasoning, our method offers a scalable framework for mastering complex software without task-specific fine-tuning.

This paper presents Deep Integrated Explanations (DIX) - a universal method for explaining vision models. DIX generates explanation maps by integrating information from the intermediate representations of the model, coupled with their corresponding gradients. Through an extensive array of both objective and subjective evaluations spanning diverse tasks, datasets, and model configurations, we showcase the efficacy of DIX in generating faithful and accurate explanation maps, while surpassing current state-of-the-art methods.

While contemporary large language models (LLMs) are increasingly capable in isolation, there are still many difficult problems that lie beyond the abilities of a single LLM. For such tasks, there is still uncertainty about how best to take many LLMs as parts and combine them into a greater whole. This position paper argues that potential blueprints for designing such modular language agents can be found in the existing literature on cognitive models and artificial intelligence (AI) algorithms. To make this point clear, we formalize the idea of an agent template that specifies roles for individual LLMs and how their functionalities should be composed. We then survey a variety of existing language agents in the literature and highlight their underlying templates derived directly from cognitive models or AI algorithms. By highlighting these designs, we aim to call attention to agent templates inspired by cognitive science and AI as a powerful tool for developing effective, interpretable language agents.

The remarkable progress in Large Language Models (LLMs) opens up new avenues for addressing planning and decision-making problems in Multi-Agent Systems (MAS). However, as the number of agents increases, the issues of hallucination in LLMs and coordination in MAS have become increasingly prominent. Additionally, the efficient utilization of tokens emerges as a critical consideration when employing LLMs to facilitate the interactions among a substantial number of agents. In this paper, we develop a modular framework called LLaMAC to mitigate these challenges. LLaMAC implements a value distribution encoding similar to that found in the human brain, utilizing internal and external feedback mechanisms to facilitate collaboration and iterative reasoning among its modules. Through evaluations involving system resource allocation and robot grid transportation, we demonstrate the considerable advantages afforded by our proposed approach.

The rise of agentic systems that combine orchestration, tool use, and conversational capabilities, has been more visible by the recent advent of large language models (LLMs). While open-domain frameworks exist, applying them in private domains remains difficult due to heterogeneous tool formats, domain-specific jargon, restricted accessibility of APIs, and complex governance. Conventional solutions, such as fine-tuning on synthetic dialogue data, are burdensome and brittle under domain shifts, and risk degrading general performance. In this light, we introduce a framework for private-domain multi-agent conversational systems that avoids training and data generation by adopting behavior modeling and documentation. Our design simply assumes an orchestrator, a tool-calling agent, and a general chat agent, with tool integration defined through structured specifications and domain-informed instructions. This approach enables scalable adaptation to private tools and evolving contexts without continual retraining. The framework supports practical use cases, including lightweight deployment of multi-agent systems, leveraging API specifications as retrieval resources, and generating synthetic dialogue for evaluation -- providing a sustainable method for aligning agent behavior with domain expertise in private conversational ecosystems.

The escalating complexity of modern software imposes an unsustainable operational burden on Site Reliability Engineering (SRE) teams, demanding AI-driven automation that can emulate expert diagnostic reasoning. Existing solutions, from traditional AI methods to general-purpose multi-agent systems, fall short: they either lack deep causal reasoning or are not tailored for the specialized, investigative workflows unique to SRE. To address this gap, we present OpenDerisk, a specialized, open-source multi-agent framework architected for SRE. OpenDerisk integrates a diagnostic-native collaboration model, a pluggable reasoning engine, a knowledge engine, and a standardized protocol (MCP) to enable specialist agents to collectively solve complex, multi-domain problems. Our comprehensive evaluation demonstrates that OpenDerisk significantly outperforms state-of-the-art baselines in both accuracy and efficiency. This effectiveness is validated by its large-scale production deployment at Ant Group, where it serves over 3,000 daily users across diverse scenarios, confirming its industrial-grade scalability and practical impact. OpenDerisk is open source and available at https://github.com/derisk-ai/OpenDerisk/

Interactive digital agents (IDAs) leverage APIs of stateful digital environments to perform tasks in response to user requests. While IDAs powered by instruction-tuned large language models (LLMs) can react to feedback from interface invocations in multi-step exchanges, they have not been trained in their respective digital environments. Prior methods accomplish less than half of tasks in sophisticated benchmarks such as AppWorld. We present a reinforcement learning (RL) approach that trains IDAs directly in their target environments. We formalize this training as a partially observable Markov decision process and derive LOOP, a data- and memory-efficient variant of proximal policy optimization. LOOP uses no value network and maintains exactly one copy of the underlying LLM in memory, making its implementation straightforward and as memory-efficient as fine-tuning a single LLM. A 32-billion-parameter agent trained with LOOP in the AppWorld environment outperforms the much larger OpenAI o1 agent by 9 percentage points (15% relative). To our knowledge, this is the first reported application of RL to IDAs that interact with a stateful, multi-domain, multi-app environment via direct API calls. Our analysis sheds light on the effectiveness of RL in this area, showing that the agent learns to consult the API documentation, avoid unwarranted assumptions, minimize confabulation, and recover from setbacks.

Large language models (LLMs) are increasingly deployed as agents, expected to decompose goals, invoke tools, and verify results in dynamic environments. Realizing these capabilities requires access to agentic data-structured interaction records that couple user intents with tool specifications, argument-grounded calls, and verifiable execution traces. However, collecting such data from human annotators is costly, time-consuming, and difficult to scale. We present a unified framework for synthesizing agentic data using only LLMs, without any human-in-the-loop supervision. This framework decomposes generation into modular pipelines that produce complete interaction records spanning task specifications, tool definitions, policy pseudocode, natural language exchanges, and execution traces. Records conform to strict syntactic and semantic constraints, ensuring machine-parseability and faithful alignment across inputs, outputs, and tool calls. Beyond single tasks, there is support for both multi-task and multi-turn agent interactions, enabling the construction of datasets that reflect the full spectrum of tool-use competencies. To ensure quality and consistency, the framework integrates constrained generation formats, JSON-schema validation, and judge-based filtering. This paper formalizes the schema for agentic records, details the prompt design principles that guide generation, and introduces scalable pipelines for high-quality synthetic data. By providing a reproducible, LLM-only alternative to manual collection, hence advancing the development of agentic LLMs capable of robust tool use.

We introduce GenAgent, unifying visual understanding and generation through an agentic multimodal model. Unlike unified models that face expensive training costs and understanding-generation trade-offs, GenAgent decouples these capabilities through an agentic framework: understanding is handled by the multimodal model itself, while generation is achieved by treating image generation models as invokable tools. Crucially, unlike existing modular systems constrained by static pipelines, this design enables autonomous multi-turn interactions where the agent generates multimodal chains-of-thought encompassing reasoning, tool invocation, judgment, and reflection to iteratively refine outputs. We employ a two-stage training strategy: first, cold-start with supervised fine-tuning on high-quality tool invocation and reflection data to bootstrap agent behaviors; second, end-to-end agentic reinforcement learning combining pointwise rewards (final image quality) and pairwise rewards (reflection accuracy), with trajectory resampling for enhanced multi-turn exploration. GenAgent significantly boosts base generator(FLUX.1-dev) performance on GenEval++ (+23.6\%) and WISE (+14\%). Beyond performance gains, our framework demonstrates three key properties: 1) cross-tool generalization to generators with varying capabilities, 2) test-time scaling with consistent improvements across interaction rounds, and 3) task-adaptive reasoning that automatically adjusts to different tasks. Our code will be available at https://github.com/deep-kaixun/GenAgent{this url}.

Existing Large Language Model (LLM) agent frameworks face two significant challenges: high configuration costs and static capabilities. Building a high-quality agent often requires extensive manual effort in tool integration and prompt engineering, while deployed agents struggle to adapt to dynamic environments without expensive fine-tuning. To address these issues, we propose Youtu-Agent, a modular framework designed for the automated generation and continuous evolution of LLM agents. Youtu-Agent features a structured configuration system that decouples execution environments, toolkits, and context management, enabling flexible reuse and automated synthesis. We introduce two generation paradigms: a Workflow mode for standard tasks and a Meta-Agent mode for complex, non-standard requirements, capable of automatically generating tool code, prompts, and configurations. Furthermore, Youtu-Agent establishes a hybrid policy optimization system: (1) an Agent Practice module that enables agents to accumulate experience and improve performance through in-context optimization without parameter updates; and (2) an Agent RL module that integrates with distributed training frameworks to enable scalable and stable reinforcement learning of any Youtu-Agents in an end-to-end, large-scale manner. Experiments demonstrate that Youtu-Agent achieves state-of-the-art performance on WebWalkerQA (71.47\%) and GAIA (72.8\%) using open-weight models. Our automated generation pipeline achieves over 81\% tool synthesis success rate, while the Practice module improves performance on AIME 2024/2025 by +2.7\% and +5.4\% respectively. Moreover, our Agent RL training achieves 40\% speedup with steady performance improvement on 7B LLMs, enhancing coding/reasoning and searching capabilities respectively up to 35\% and 21\% on Maths and general/multi-hop QA benchmarks.

Legal reasoning requires both precise interpretation of statutory language and consistent application of complex rules, presenting significant challenges for AI systems. This paper introduces a modular multi-agent framework that decomposes legal reasoning into distinct knowledge acquisition and application stages. In the first stage, specialized agents extract legal concepts and formalize rules to create verifiable intermediate representations of statutes. The second stage applies this knowledge to specific cases through three steps: analyzing queries to map case facts onto the ontology schema, performing symbolic inference to derive logically entailed conclusions, and generating final answers using a programmatic implementation that operationalizes the ontological knowledge. This bridging of natural language understanding with symbolic reasoning provides explicit and verifiable inspection points, significantly enhancing transparency compared to end-to-end approaches. Evaluation on statutory tax calculation tasks demonstrates substantial improvements, with foundational models achieving 76.4\% accuracy compared to 18.8\% baseline performance, effectively narrowing the performance gap between reasoning and foundational models. These findings suggest that modular architectures with formalized knowledge representations can make sophisticated legal reasoning more accessible through computationally efficient models while enhancing consistency and explainability in AI legal reasoning, establishing a foundation for future research into more transparent, trustworthy, and effective AI systems for legal domain.

Automating AI research differs from general software engineering due to computationally expensive evaluation (e.g., model training) and opaque performance attribution. Current LLM-based agents struggle here, often generating monolithic scripts that ignore execution costs and causal factors. We introduce MARS (Modular Agent with Reflective Search), a framework optimized for autonomous AI research. MARS relies on three pillars: (1) Budget-Aware Planning via cost-constrained Monte Carlo Tree Search (MCTS) to explicitly balance performance with execution expense; (2) Modular Construction, employing a "Design-Decompose-Implement" pipeline to manage complex research repositories; and (3) Comparative Reflective Memory, which addresses credit assignment by analyzing solution differences to distill high-signal insights. MARS achieves state-of-the-art performance among open-source frameworks on MLE-Bench under comparable settings, maintaining competitiveness with the global leaderboard's top methods. Furthermore, the system exhibits qualitative "Aha!" moments, where 63% of all utilized lessons originate from cross-branch transfer, demonstrating that the agent effectively generalizes insights across search paths.

Recent advances in agent systems have demonstrated remarkable capabilities in solving both general-purpose and highly complex tasks. However, most current models lack mechanisms for coordinating specialized agents and have limited ability to generalize to new or diverse domains. To this end, we introduce AgentOrchestra, a hierarchical multi-agent framework for general-purpose task solving that integrates high-level planning with modular agent collaboration. Drawing inspiration from a conductor orchestrating a symphony, and grounded in the principles of extensibility, multimodality, modularity, and coordination, it features a central planning agent that decomposes complex objectives and delegates sub-tasks to a team of specialized agents. Each sub-agent is equipped with general programming tools, as well as abilities to tackle a wide range of real-world specific tasks, including data analysis, file operations, web navigation, and interactive reasoning in dynamic multimodal environments. Notably, AgentOrchestra introduces an MCP Manager Agent that enables intelligent evolution through dynamic tool creation, retrieval, and reuse mechanisms, significantly enhancing the system's adaptability and scalability. AgentOrchestra supports flexible orchestration through explicit sub-goal formulation, inter-agent communication, and adaptive role allocation. We evaluate the framework on three widely used benchmarks for assessing LLM-based agent systems. Experimental results show that AgentOrchestra consistently outperforms flat-agent and monolithic baselines in terms of task success rate and adaptability. On the GAIA benchmark testing dataset, AgentOrchestra achieves an average score of 83.39\%, ranking among the top general-purpose agents. These results highlight the effectiveness of hierarchical organization and role specialization in building scalable and general-purpose LLM-based agent systems.

Large Language Models (LLMs) prompted to generate chain-of-thought (CoT) exhibit impressive reasoning capabilities. Recent attempts at prompt decomposition toward solving complex, multi-step reasoning problems depend on the ability of the LLM to simultaneously decompose and solve the problem. A significant disadvantage is that foundational LLMs are typically not available for fine-tuning, making adaptation computationally prohibitive. We believe (and demonstrate) that problem decomposition and solution generation are distinct capabilites, better addressed in separate modules, than by one monolithic LLM. We introduce DaSLaM, which uses a decomposition generator to decompose complex problems into subproblems that require fewer reasoning steps. These subproblems are answered by a solver. We use a relatively small (13B parameters) LM as the decomposition generator, which we train using policy gradient optimization to interact with a solver LM (regarded as black-box) and guide it through subproblems, thereby rendering our method solver-agnostic. Evaluation on multiple different reasoning datasets reveal that with our method, a 175 billion parameter LM (text-davinci-003) can produce competitive or even better performance, compared to its orders-of-magnitude larger successor, GPT-4. Additionally, we show that DaSLaM is not limited by the solver's capabilities as a function of scale; e.g., solver LMs with diverse sizes give significant performance improvement with our solver-agnostic decomposition technique. Exhaustive ablation studies evince the superiority of our modular finetuning technique over exorbitantly large decomposer LLMs, based on prompting alone.

Large language models (LLMs) have demonstrated remarkable tool-use capabilities, yet their application to power system operations remains largely unexplored. This paper presents Grid-Mind, a domain-specific LLM agent that interprets natural-language interconnection requests and autonomously orchestrates multi-fidelity power system simulations. The LLM-first architecture positions the language model as the central decision-making entity, employing an eleven-tool registry to execute Connection Impact Assessment (CIA) studies spanning steadystate power flow, N-1 contingency analysis, transient stability, and electromagnetic transient screening. A violation inspector grounds every decision in quantitative simulation outputs, while a three-layer anti-hallucination defence mitigates numerical fabrication risk through forced capacity-tool routing and post-response grounding validation. A prompt-level self-correction mechanism extracts distilled lessons from agent failures, yielding progressive accuracy improvements without model retraining. End-to-end evaluation on 50 IEEE 118-bus scenarios (DeepSeek-V3, 2026-02-23) achieved 84.0% tool-selection accuracy and 100% parsing accuracy. A separate 56-scenario self-correction suite passed 49 of 56 cases (87.5%) with a mean score of 89.3. These results establish a reproducible baseline for continued refinement while maintaining auditable, simulation-grounded decision support.

The evolution of Large Language Models (LLMs) from passive responders to autonomous agents necessitates a fundamental shift in learning paradigms -- from static imitation to incentive-driven decision making. However, this transition is significantly impeded by the lack of scalable infrastructure capable of constructing high-quality interaction signals for effective policy learning. To address this, we introduce a comprehensive method designed to systematically scale the diversity and complexity of interactive environments. Our method realizes this scaling by addressing three orthogonal dimensions: (1) Complexity: NexAU, a flexible agent framework that supports building complex agent hierarchies via simple configurations; (2) Diversity: NexA4A automatically generates diverse agent hierarchies from natural language to cover infinite domains; and (3) Fidelity: NexGAP bridges the simulation-reality gap by integrating dynamic real-world environment for grounded trajectories synthesis. We train Nex-N1 upon the diverse and complex interactive environments established by our infrastructure. Empirical results on benchmarks such as SWE-bench and tau2 demonstrate that Nex-N1 consistently outperforms SOTA open-source models and achieves competitive performance against frontier proprietary models on complex agentic tasks. We open-source the Nex ecosystem and model weights to facilitate further research.

Interpretability tools that offer explanations in the form of a dialogue have demonstrated their efficacy in enhancing users' understanding, as one-off explanations may occasionally fall short in providing sufficient information to the user. Current solutions for dialogue-based explanations, however, require many dependencies and are not easily transferable to tasks they were not designed for. With LLMCheckup, we present an easily accessible tool that allows users to chat with any state-of-the-art large language model (LLM) about its behavior. We enable LLMs to generate all explanations by themselves and take care of intent recognition without fine-tuning, by connecting them with a broad spectrum of Explainable AI (XAI) tools, e.g. feature attributions, embedding-based similarity, and prompting strategies for counterfactual and rationale generation. LLM (self-)explanations are presented as an interactive dialogue that supports follow-up questions and generates suggestions. LLMCheckup provides tutorials for operations available in the system, catering to individuals with varying levels of expertise in XAI and supports multiple input modalities. We introduce a new parsing strategy called multi-prompt parsing substantially enhancing the parsing accuracy of LLMs. Finally, we showcase the tasks of fact checking and commonsense question answering.

LLM-based agents have recently emerged as promising tools for solving challenging problems without the need for task-specific finetuned models that can be expensive to procure. Currently, the design and implementation of such agents is ad hoc, as the wide variety of tasks that LLM-based agents may be applied to naturally means there can be no one-size-fits-all approach to agent design. In this work we aim to alleviate the difficulty of designing and implementing new agents by proposing a minimalistic, high-level generation framework that simplifies the process of building agents. The framework we introduce allows the user to specify desired agent behaviors in Linear Temporal Logic (LTL). The declarative LTL specification is then used to construct a constrained decoder that guarantees the LLM will produce an output exhibiting the desired behavior. By designing our framework in this way, we obtain several benefits, including the ability to enforce complex agent behavior, the ability to formally validate prompt examples, and the ability to seamlessly incorporate content-focused logical constraints into generation. In particular, our declarative approach, in which the desired behavior is simply described without concern for how it should be implemented or enforced, enables rapid design, implementation and experimentation with different LLM-based agents. We demonstrate how the proposed framework can be used to implement recent LLM-based agents, and show how the guardrails our approach provides can lead to improvements in agent performance. In addition, we release our code for general use.

Adapting LLM agents to domain-specific tool calling remains notably brittle under evolving interfaces. Prompt and schema engineering is easy to deploy but often fragile under distribution shift and strict parsers, while continual parameter-efficient fine-tuning improves reliability at the cost of training, maintenance, and potential forgetting. We identify a critical Lazy Agent failure mode where tool necessity is nearly perfectly decodable from mid-layer activations, yet the model remains conservative in entering tool mode, revealing a representation-behavior gap. We propose Activation Steering Adapter (ASA), a training-free, inference-time controller that performs a single-shot mid-layer intervention and targets tool domains via a router-conditioned mixture of steering vectors with a probe-guided signed gate to amplify true intent while suppressing spurious triggers. On MTU-Bench with Qwen2.5-1.5B, ASA improves strict tool-use F1 from 0.18 to 0.50 while reducing the false positive rate from 0.15 to 0.05, using only about 20KB of portable assets and no weight updates.

Traditional customer support systems, such as Interactive Voice Response (IVR), rely on rigid scripts and lack the flexibility required for handling complex, policy-driven tasks. While large language model (LLM) agents offer a promising alternative, evaluating their ability to act in accordance with business rules and real-world support workflows remains an open challenge. Existing benchmarks primarily focus on tool usage or task completion, overlooking an agent's capacity to adhere to multi-step policies, navigate task dependencies, and remain robust to unpredictable user or environment behavior. In this work, we introduce JourneyBench, a benchmark designed to assess policy-aware agents in customer support. JourneyBench leverages graph representations to generate diverse, realistic support scenarios and proposes the User Journey Coverage Score, a novel metric to measure policy adherence. We evaluate multiple state-of-the-art LLMs using two agent designs: a Static-Prompt Agent (SPA) and a Dynamic-Prompt Agent (DPA) that explicitly models policy control. Across 703 conversations in three domains, we show that DPA significantly boosts policy adherence, even allowing smaller models like GPT-4o-mini to outperform more capable ones like GPT-4o. Our findings demonstrate the importance of structured orchestration and establish JourneyBench as a critical resource to advance AI-driven customer support beyond IVR-era limitations.

Agentic AI systems represent a new frontier in artificial intelligence, where agents often based on large language models(LLMs) interact with tools, environments, and other agents to accomplish tasks with a degree of autonomy. These systems show promise across a range of domains, but their architectural underpinnings remain immature. This paper conducts a comprehensive review of the types of agents, their modes of interaction with the environment, and the infrastructural and architectural challenges that emerge. We identify a gap in how these systems manage tool orchestration at scale and propose a reusable design abstraction: the "Control Plane as a Tool" pattern. This pattern allows developers to expose a single tool interface to an agent while encapsulating modular tool routing logic behind it. We position this pattern within the broader context of agent design and argue that it addresses several key challenges in scaling, safety, and extensibility.

In this paper, we propose MPC (Modular Prompted Chatbot), a new approach for creating high-quality conversational agents without the need for fine-tuning. Our method utilizes pre-trained large language models (LLMs) as individual modules for long-term consistency and flexibility, by using techniques such as few-shot prompting, chain-of-thought (CoT), and external memory. Our human evaluation results show that MPC is on par with fine-tuned chatbot models in open-domain conversations, making it an effective solution for creating consistent and engaging chatbots.

Multi-Agent Deep Reinforcement Learning (MADRL) was proven efficient in solving complex problems in robotics or games, yet most of the trained models are hard to interpret. While learning intrinsically interpretable models remains a prominent approach, its scalability and flexibility are limited in handling complex tasks or multi-agent dynamics. This paper advocates for direct interpretability, generating post hoc explanations directly from trained models, as a versatile and scalable alternative, offering insights into agents' behaviour, emergent phenomena, and biases without altering models' architectures. We explore modern methods, including relevance backpropagation, knowledge edition, model steering, activation patching, sparse autoencoders and circuit discovery, to highlight their applicability to single-agent, multi-agent, and training process challenges. By addressing MADRL interpretability, we propose directions aiming to advance active topics such as team identification, swarm coordination and sample efficiency.

Small Language Models (SLMs) offer compelling advantages in deployment cost and latency, but their accuracy often lags behind larger models, particularly for complex domain-specific tasks. While supervised fine-tuning can help bridge this performance gap, it requires substantial manual effort in data preparation and iterative optimization. We present PaDA-Agent (Pattern-guided Data Augmentation Agent), an evaluation-driven approach that streamlines the data augmentation process for SLMs through coordinated operations. Unlike state-of-the-art approaches that focus on model training errors only and generating error-correcting samples, PaDA-Agent discovers failure patterns from the validation data via evaluations and drafts targeted data augmentation strategies aiming to directly reduce the generalization gap. Our experimental results demonstrate significant improvements over state-of-the-art LLM-based data augmentation approaches for Llama 3.2 1B Instruct model fine-tuning.

A common method to solve complex problems in software engineering, is to divide the problem into multiple sub-problems. Inspired by this, we propose a Modular Architecture for Software-engineering AI (MASAI) agents, where different LLM-powered sub-agents are instantiated with well-defined objectives and strategies tuned to achieve those objectives. Our modular architecture offers several advantages: (1) employing and tuning different problem-solving strategies across sub-agents, (2) enabling sub-agents to gather information from different sources scattered throughout a repository, and (3) avoiding unnecessarily long trajectories which inflate costs and add extraneous context. MASAI enabled us to achieve the highest performance (28.33% resolution rate) on the popular and highly challenging SWE-bench Lite dataset consisting of 300 GitHub issues from 11 Python repositories. We conduct a comprehensive evaluation of MASAI relative to other agentic methods and analyze the effects of our design decisions and their contribution to the success of MASAI.

While diffusion language models (DLMs) have achieved competitive performance in text generation, improving their reasoning ability with reinforcement learning remains an active research area. Here, we introduce d2, a reasoning framework tailored for masked DLMs. Central to our framework is a new policy gradient algorithm that relies on properties of masking to accurately estimate the likelihoods of sampling trajectories. Our estimators trade off computation for approximation accuracy in an analytically tractable manner, and are particularly effective for DLMs that support any-order likelihood estimation. We characterize and study this property in popular DLMs and show that it is key for efficient diffusion-based reasoning. Empirically, d2 significantly improves over previous diffusion reasoning frameworks using only RL (without relying on supervised fine-tuning), and sets a new state-of-the-art performance for DLMs on logical reasoning tasks (Countdown and Sudoku) and math reasoning benchmarks (GSM8K and MATH500).

Large Language Model agents demonstrate potential in solving real-world problems via tools, yet generalist intelligence is bottlenecked by scarce high-quality, long-horizon data. Existing methods collect privacy-constrained API logs or generate scripted interactions lacking diversity, which struggle to produce data requisite for scaling capabilities. We propose AgentSkiller, a fully automated framework synthesizing multi-turn interaction data across realistic, semantically linked domains. It employs a DAG-based architecture with explicit state transitions to ensure determinism and recoverability. The pipeline builds a domain ontology and Person-Centric Entity Graph, defines tool interfaces via Service Blueprints for Model Context Protocol servers, and populates environments with consistent databases and strict Domain Policies. A cross-domain fusion mechanism links services to simulate complex tasks. Finally, the pipeline creates user tasks by verifying solution paths, filtering via execution-based validation, and generating queries using a Persona-based Simulator for automated rollout. This produces reliable environments with clear state changes. To demonstrate effectiveness, we synthesized approx 11K interaction samples; experimental results indicate that models trained on this dataset achieve significant improvements on function calling over baselines, particularly in larger parameter regimes.

Current agentic frameworks underperform on long-horizon tasks. As reasoning depth increases, sequential orchestration becomes brittle, context windows impose hard limits that degrade performance, and opaque execution traces make failures difficult to localize or debug. We introduce ROMA (Recursive Open Meta-Agents), a domain-agnostic framework that addresses these limitations through recursive task decomposition and structured aggregation. ROMA decomposes goals into dependency-aware subtask trees that can be executed in parallel, while aggregation compresses and validates intermediate results to control context growth. Our framework standardizes agent construction around four modular roles --Atomizer (which decides whether a task should be decomposed), Planner, Executor, and Aggregator -- which cleanly separate orchestration from model selection and enable transparent, hierarchical execution traces. This design supports heterogeneous multi-agent systems that mix models and tools according to cost, latency, and capability. To adapt ROMA to specific tasks without fine-tuning, we further introduce GEPA+, an improved Genetic-Pareto prompt proposer that searches over prompts within ROMA's component hierarchy while preserving interface contracts. We show that ROMA, combined with GEPA+, delivers leading system-level performance on reasoning and long-form generation benchmarks. On SEAL-0, which evaluates reasoning over conflicting web evidence, ROMA instantiated with GLM-4.6 improves accuracy by 9.9\% over Kimi-Researcher. On EQ-Bench, a long-form writing benchmark, ROMA enables DeepSeek-V3 to match the performance of leading closed-source models such as Claude Sonnet 4.5. Our results demonstrate that recursive, modular agent architectures can scale reasoning depth while remaining interpretable, flexible, and model-agnostic.

Agentic systems consisting of multiple LLM-driven agents coordinating through tools and structured interactions, are increasingly deployed for complex reasoning and problem-solving tasks. At the same time, emerging low-code and template-based agent development platforms (e.g., Dify) enable users to rapidly build and orchestrate agentic systems, which we refer to as platform-orchestrated agentic systems. However, these systems are also fragile and it remains unclear how to systematically identify their potential failure root cause. This paper presents a study of root cause identification of these platform-orchestrated agentic systems. To support this initiative, we construct a dataset AgentFail containing 307 failure logs from ten agentic systems, each with fine-grained annotations linking failures to their root causes. We additionally utilize counterfactual reasoning-based repair strategy to ensure the reliability of the annotation. Building on the dataset, we develop a taxonomy that characterizes failure root causes and analyze their distribution across different platforms and task domains. Furthermore, we introduce a benchmark that leverages LLMs for automatically identifying root causes, in which we also utilize the proposed taxonomy as guidance for LLMs. Results show that the taxonomy can largely improve the performance, thereby confirming its utility. Nevertheless, the accuracy of root cause identification reaches at most 33.6%, which indicates that this task still remains challenging. In light of these results, we also provide actionable guidelines for building such agentic systems. In summary, this paper provides a reliable dataset of failure root cause for platform-orchestrated agentic systems, corresponding taxonomy and benchmark, which serves as a foundation for advancing the development of more reliable agentic systems.

We introduce Lumos, a novel framework for training language agents that employs a unified data format and a modular architecture based on open-source large language models (LLMs). Lumos consists of three distinct modules: planning, grounding, and execution. The planning module breaks down a task into a series of high-level, tool-agnostic subgoals, which are then made specific by the grounding module through a set of low-level actions. These actions are subsequently executed by the execution module, utilizing a range of off-the-shelf tools and APIs. In order to train these modules effectively, high-quality annotations of subgoals and actions were collected and are made available for fine-tuning open-source LLMs for various tasks such as complex question answering, web tasks, and math problems. Leveraging this unified data and modular design, Lumos not only achieves comparable or superior performance to current, state-of-the-art agents, but also exhibits several key advantages: (1) Lumos surpasses GPT-4/3.5-based agents in complex question answering and web tasks, while equalling the performance of significantly larger LLM agents on math tasks; (2) Lumos outperforms open-source agents created through conventional training methods and those using chain-of-thoughts training; and (3) Lumos is capable of effectively generalizing to unseen interactive tasks, outperforming larger LLM-based agents and even exceeding performance of specialized agents.

Agentic AI systems built on large language models (LLMs) offer significant potential for automating complex workflows, from software development to customer support. However, LLM agents often underperform due to suboptimal configurations; poorly tuned prompts, tool descriptions, and parameters that typically require weeks of manual refinement. Existing optimization methods either are too complex for general use or treat components in isolation, missing critical interdependencies. We present ARTEMIS, a no-code evolutionary optimization platform that jointly optimizes agent configurations through semantically-aware genetic operators. Given only a benchmark script and natural language goals, ARTEMIS automatically discovers configurable components, extracts performance signals from execution logs, and evolves configurations without requiring architectural modifications. We evaluate ARTEMIS on four representative agent systems: the ALE Agent for competitive programming on AtCoder Heuristic Contest, achieving a 13.6% improvement in acceptance rate; the Mini-SWE Agent for code optimization on SWE-Perf, with a statistically significant 10.1\% performance gain; and the CrewAI Agent for cost and mathematical reasoning on Math Odyssey, achieving a statistically significant 36.9% reduction in the number of tokens required for evaluation. We also evaluate the MathTales-Teacher Agent powered by a smaller open-source model (Qwen2.5-7B) on GSM8K primary-level mathematics problems, achieving a 22\% accuracy improvement and demonstrating that ARTEMIS can optimize agents based on both commercial and local models.

Agents based on large language models (LLMs) have demonstrated effectiveness in solving a wide range of tasks by integrating LLMs with key modules such as planning, memory, and tool usage. Increasingly, customers are adopting LLM agents across a variety of commercial applications critical to reliability, including support for mental well-being, chemical synthesis, and software development. Nevertheless, our observations and daily use of LLM agents indicate that they are prone to making erroneous plans, especially when the tasks are complex and require long-term planning. In this paper, we propose PDoctor, a novel and automated approach to testing LLM agents and understanding their erroneous planning. As the first work in this direction, we formulate the detection of erroneous planning as a constraint satisfiability problem: an LLM agent's plan is considered erroneous if its execution violates the constraints derived from the user inputs. To this end, PDoctor first defines a domain-specific language (DSL) for user queries and synthesizes varying inputs with the assistance of the Z3 constraint solver. These synthesized inputs are natural language paragraphs that specify the requirements for completing a series of tasks. Then, PDoctor derives constraints from these requirements to form a testing oracle. We evaluate PDoctor with three mainstream agent frameworks and two powerful LLMs (GPT-3.5 and GPT-4). The results show that PDoctor can effectively detect diverse errors in agent planning and provide insights and error characteristics that are valuable to both agent developers and users. We conclude by discussing potential alternative designs and directions to extend PDoctor.

We introduce tulip agent, an architecture for autonomous LLM-based agents with Create, Read, Update, and Delete access to a tool library containing a potentially large number of tools. In contrast to state-of-the-art implementations, tulip agent does not encode the descriptions of all available tools in the system prompt, which counts against the model's context window, or embed the entire prompt for retrieving suitable tools. Instead, the tulip agent can recursively search for suitable tools in its extensible tool library, implemented exemplarily as a vector store. The tulip agent architecture significantly reduces inference costs, allows using even large tool libraries, and enables the agent to adapt and extend its set of tools. We evaluate the architecture with several ablation studies in a mathematics context and demonstrate its generalizability with an application to robotics. A reference implementation and the benchmark are available at github.com/HRI-EU/tulip_agent.

Agents built on LLMs are increasingly deployed across diverse domains, automating complex decision-making and task execution. However, their autonomy introduces safety risks, including security vulnerabilities, legal violations, and unintended harmful actions. Existing mitigation methods, such as model-based safeguards and early enforcement strategies, fall short in robustness, interpretability, and adaptability. To address these challenges, we propose AgentSpec, a lightweight domain-specific language for specifying and enforcing runtime constraints on LLM agents. With AgentSpec, users define structured rules that incorporate triggers, predicates, and enforcement mechanisms, ensuring agents operate within predefined safety boundaries. We implement AgentSpec across multiple domains, including code execution, embodied agents, and autonomous driving, demonstrating its adaptability and effectiveness. Our evaluation shows that AgentSpec successfully prevents unsafe executions in over 90% of code agent cases, eliminates all hazardous actions in embodied agent tasks, and enforces 100% compliance by autonomous vehicles (AVs). Despite its strong safety guarantees, AgentSpec remains computationally lightweight, with overheads in milliseconds. By combining interpretability, modularity, and efficiency, AgentSpec provides a practical and scalable solution for enforcing LLM agent safety across diverse applications. We also automate the generation of rules using LLMs and assess their effectiveness. Our evaluation shows that the rules generated by OpenAI o1 achieve a precision of 95.56% and recall of 70.96% for embodied agents, successfully identify 87.26% of the risky code, and prevent AVs from breaking laws in 5 out of 8 scenarios.

The inherent non-stationarity of financial markets and the complexity of multi-modal information pose significant challenges to existing quantitative trading models. Traditional methods relying on fixed structures and unimodal data struggle to adapt to market regime shifts, while large language model (LLM)-driven solutions - despite their multi-modal comprehension - suffer from static strategies and homogeneous expert designs, lacking dynamic adjustment and fine-grained decision mechanisms. To address these limitations, we propose MM-DREX: a Multimodal-driven, Dynamically-Routed EXpert framework based on large language models. MM-DREX explicitly decouples market state perception from strategy execution to enable adaptive sequential decision-making in non-stationary environments. Specifically, it (1) introduces a vision-language model (VLM)-powered dynamic router that jointly analyzes candlestick chart patterns and long-term temporal features to allocate real-time expert weights; (2) designs four heterogeneous trading experts (trend, reversal, breakout, positioning) generating specialized fine-grained sub-strategies; and (3) proposes an SFT-RL hybrid training paradigm to synergistically optimize the router's market classification capability and experts' risk-adjusted decision-making. Extensive experiments on multi-modal datasets spanning stocks, futures, and cryptocurrencies demonstrate that MM-DREX significantly outperforms 15 baselines (including state-of-the-art financial LLMs and deep reinforcement learning models) across key metrics: total return, Sharpe ratio, and maximum drawdown, validating its robustness and generalization. Additionally, an interpretability module traces routing logic and expert behavior in real time, providing an audit trail for strategy transparency.

As large language models (LLMs) evolve into sophisticated autonomous agents capable of complex software development tasks, evaluating their real-world capabilities becomes critical. While existing benchmarks like LoCoBench~qiu2025locobench assess long-context code understanding, they focus on single-turn evaluation and cannot capture the multi-turn interactive nature, tool usage patterns, and adaptive reasoning required by real-world coding agents. We introduce LoCoBench-Agent, a comprehensive evaluation framework specifically designed to assess LLM agents in realistic, long-context software engineering workflows. Our framework extends LoCoBench's 8,000 scenarios into interactive agent environments, enabling systematic evaluation of multi-turn conversations, tool usage efficiency, error recovery, and architectural consistency across extended development sessions. We also introduce an evaluation methodology with 9 metrics across comprehension and efficiency dimensions. Our framework provides agents with 8 specialized tools (file operations, search, code analysis) and evaluates them across context lengths ranging from 10K to 1M tokens, enabling precise assessment of long-context performance. Through systematic evaluation of state-of-the-art models, we reveal several key findings: (1) agents exhibit remarkable long-context robustness; (2) comprehension-efficiency trade-off exists with negative correlation, where thorough exploration increases comprehension but reduces efficiency; and (3) conversation efficiency varies dramatically across models, with strategic tool usage patterns differentiating high-performing agents. As the first long-context LLM agent benchmark for software engineering, LoCoBench-Agent establishes a rigorous foundation for measuring agent capabilities, identifying performance gaps, and advancing autonomous software development at scale.

The rapid progress of Large Language Models (LLMs) has given rise to a new category of autonomous AI systems, referred to as Deep Research (DR) agents. These agents are designed to tackle complex, multi-turn informational research tasks by leveraging a combination of dynamic reasoning, adaptive long-horizon planning, multi-hop information retrieval, iterative tool use, and the generation of structured analytical reports. In this paper, we conduct a detailed analysis of the foundational technologies and architectural components that constitute Deep Research agents. We begin by reviewing information acquisition strategies, contrasting API-based retrieval methods with browser-based exploration. We then examine modular tool-use frameworks, including code execution, multimodal input processing, and the integration of Model Context Protocols (MCPs) to support extensibility and ecosystem development. To systematize existing approaches, we propose a taxonomy that differentiates between static and dynamic workflows, and we classify agent architectures based on planning strategies and agent composition, including single-agent and multi-agent configurations. We also provide a critical evaluation of current benchmarks, highlighting key limitations such as restricted access to external knowledge, sequential execution inefficiencies, and misalignment between evaluation metrics and the practical objectives of DR agents. Finally, we outline open challenges and promising directions for future research. A curated and continuously updated repository of DR agent research is available at: {https://github.com/ai-agents-2030/awesome-deep-research-agent}.

Large language models (LLMs) have enabled powerful advances in natural language understanding and generation. Yet their application to complex, real-world scientific workflows remain limited by challenges in memory, planning, and tool integration. Here, we introduce SciBORG (Scientific Bespoke Artificial Intelligence Agents Optimized for Research Goals), a modular agentic framework that allows LLM-based agents to autonomously plan, reason, and achieve robust and reliable domain-specific task execution. Agents are constructed dynamically from source code documentation and augmented with finite-state automata (FSA) memory, enabling persistent state tracking and context-aware decision-making. This approach eliminates the need for manual prompt engineering and allows for robust, scalable deployment across diverse applications via maintaining context across extended workflows and to recover from tool or execution failures. We validate SciBORG through integration with both physical and virtual hardware, such as microwave synthesizers for executing user-specified reactions, with context-aware decision making and demonstrate its use in autonomous multi-step bioassay retrieval from the PubChem database utilizing multi-step planning, reasoning, agent-to-agent communication and coordination for execution of exploratory tasks. Systematic benchmarking shows that SciBORG agents achieve reliable execution, adaptive planning, and interpretable state transitions. Our results show that memory and state awareness are critical enablers of agentic planning and reliability, offering a generalizable foundation for deploying AI agents in complex environments.

We present the Process Engineering Operations Assistant (PEOA), an AI-driven framework designed to solve complex problems in the chemical and process industries. The framework employs a modular architecture orchestrated by a meta-agent, which serves as the central coordinator, managing an action generator and instruction-tuned small-scale language models (expert models). The action generator decomposes complex problems into sub-tasks and identifies suitable expert models to execute each, delivering precise solutions for multi-step problem-solving. Key techniques include advanced knowledge modeling using property graphs for improved information retrieval, facilitating more accurate and contextually relevant solutions. Additionally, the framework utilizes a teacher-student transfer-learning approach with GPT-4 (Omni) to fine-tune the action generator and expert models for domain adaptation, alongside an iterative problem-solving mechanism with sophisticated error handling. Custom datasets were developed to evaluate the framework against leading proprietary language models on various engineering tasks. The results demonstrate the framework effectiveness in automating calculations, accelerating prototyping, and providing AI-augmented decision support for industrial processes, marking a significant advancement in process engineering capabilities.

Existing benchmarks for conversational AI agents simulate single-control environments, where only the AI agent can use tools to interact with the world, while the user remains a passive information provider. This differs from real-world scenarios like technical support, where users need to actively participate in modifying the state of the (shared) world. In order to address this gap, we introduce tau^2-bench, with four key contributions: 1) A novel Telecom dual-control domain modeled as a Dec-POMDP, where both agent and user make use of tools to act in a shared, dynamic environment that tests both agent coordination and communication, 2) A compositional task generator that programmatically creates diverse, verifiable tasks from atomic components, ensuring domain coverage and controlled complexity, 3) A reliable user simulator tightly coupled with the environment, whose behavior is constrained by tools and observable states, improving simulation fidelity, 4) Fine-grained analysis of agent performance through multiple ablations including separating errors arising from reasoning vs communication/coordination. In particular, our experiments show significant performance drops when agents shift from no-user to dual-control, highlighting the challenges of guiding users. Overall, tau^2-bench provides a controlled testbed for agents that must both reason effectively and guide user actions.

LLMs have achieved remarkable breakthroughs in reasoning, insights, and tool use, but chaining these abilities into extended processes at the scale of those routinely executed by humans, organizations, and societies has remained out of reach. The models have a persistent error rate that prevents scale-up: for instance, recent experiments in the Towers of Hanoi benchmark domain showed that the process inevitably becomes derailed after at most a few hundred steps. Thus, although LLM research is often still benchmarked on tasks with relatively few dependent logical steps, there is increasing attention on the ability (or inability) of LLMs to perform long range tasks. This paper describes MAKER, the first system that successfully solves a task with over one million LLM steps with zero errors, and, in principle, scales far beyond this level. The approach relies on an extreme decomposition of a task into subtasks, each of which can be tackled by focused microagents. The high level of modularity resulting from the decomposition allows error correction to be applied at each step through an efficient multi-agent voting scheme. This combination of extreme decomposition and error correction makes scaling possible. Thus, the results suggest that instead of relying on continual improvement of current LLMs, massively decomposed agentic processes (MDAPs) may provide a way to efficiently solve problems at the level of organizations and societies.

Legal contracts in the custody and fund services domain govern critical aspects such as key provider responsibilities, fee schedules, and indemnification rights. However, it is challenging for an off-the-shelf Large Language Model (LLM) to ingest these contracts due to the lengthy unstructured streams of text, limited LLM context windows, and complex legal jargon. To address these challenges, we introduce LAW (Legal Agentic Workflows for Custody and Fund Services Contracts). LAW features a modular design that responds to user queries by orchestrating a suite of domain-specific tools and text agents. Our experiments demonstrate that LAW, by integrating multiple specialized agents and tools, significantly outperforms the baseline. LAW excels particularly in complex tasks such as calculating a contract's termination date, surpassing the baseline by 92.9% points. Furthermore, LAW offers a cost-effective alternative to traditional fine-tuned legal LLMs by leveraging reusable, domain-specific tools.

Large language models (LLMs) and their applications, such as agents, are highly vulnerable to prompt injection attacks. State-of-the-art prompt injection detection methods have the following limitations: (1) their effectiveness degrades significantly as context length increases, and (2) they lack explicit rules that define what constitutes prompt injection, causing detection decisions to be implicit, opaque, and difficult to reason about. In this work, we propose AgentWatcher to address the above two limitations. To address the first limitation, AgentWatcher attributes the LLM's output (e.g., the action of an agent) to a small set of causally influential context segments. By focusing detection on a relatively short text, AgentWatcher can be scalable to long contexts. To address the second limitation, we define a set of rules specifying what does and does not constitute a prompt injection, and use a monitor LLM to reason over these rules based on the attributed text, making the detection decisions more explainable. We conduct a comprehensive evaluation on tool-use agent benchmarks and long-context understanding datasets. The experimental results demonstrate that AgentWatcher can effectively detect prompt injection and maintain utility without attacks. The code is available at https://github.com/wang-yanting/AgentWatcher.

Recent advances in reasoning and planning capabilities of large language models (LLMs) have enabled their potential as autonomous agents capable of tool use in dynamic environments. However, in multi-turn conversational environments like tau-bench, these agents often struggle with consistent reasoning, adherence to domain-specific policies, and extracting correct information over a long horizon of tool-calls and conversation. To capture and mitigate these failures, we conduct a comprehensive manual analysis of the common errors occurring in the conversation trajectories. We then experiment with reformulations of inputs to the tool-calling agent for improvement in agent decision making. Finally, we propose the Input-Reformulation Multi-Agent (IRMA) framework, which automatically reformulates user queries augmented with relevant domain rules and tool suggestions for the tool-calling agent to focus on. The results show that IRMA significantly outperforms ReAct, Function Calling, and Self-Reflection by 16.1%, 12.7%, and 19.1%, respectively, in overall pass^5 scores. These findings highlight the superior reliability and consistency of IRMA compared to other methods in dynamic environments.

We propose a general framework called Text Modular Networks(TMNs) for building interpretable systems that learn to solve complex tasks by decomposing them into simpler ones solvable by existing models. To ensure solvability of simpler tasks, TMNs learn the textual input-output behavior (i.e., language) of existing models through their datasets. This differs from prior decomposition-based approaches which, besides being designed specifically for each complex task, produce decompositions independent of existing sub-models. Specifically, we focus on Question Answering (QA) and show how to train a next-question generator to sequentially produce sub-questions targeting appropriate sub-models, without additional human annotation. These sub-questions and answers provide a faithful natural language explanation of the model's reasoning. We use this framework to build ModularQA, a system that can answer multi-hop reasoning questions by decomposing them into sub-questions answerable by a neural factoid single-span QA model and a symbolic calculator. Our experiments show that ModularQA is more versatile than existing explainable systems for DROP and HotpotQA datasets, is more robust than state-of-the-art blackbox (uninterpretable) systems, and generates more understandable and trustworthy explanations compared to prior work.

Mathematical modeling is a cornerstone of scientific discovery and engineering practice, enabling the translation of real-world problems into formal systems across domains such as physics, biology, and economics. Unlike mathematical reasoning, which assumes a predefined formulation, modeling requires open-ended problem analysis, abstraction, and principled formalization. While Large Language Models (LLMs) have shown strong reasoning capabilities, they fall short in rigorous model construction, limiting their utility in real-world problem-solving. To this end, we formalize the task of LLM-powered real-world mathematical modeling, where agents must analyze problems, construct domain-appropriate formulations, and generate complete end-to-end solutions. We introduce MM-Bench, a curated benchmark of 111 problems from the Mathematical Contest in Modeling (MCM/ICM), spanning the years 2000 to 2025 and across ten diverse domains such as physics, biology, and economics. To tackle this task, we propose MM-Agent, an expert-inspired framework that decomposes mathematical modeling into four stages: open-ended problem analysis, structured model formulation, computational problem solving, and report generation. Experiments on MM-Bench show that MM-Agent significantly outperforms baseline agents, achieving an 11.88\% improvement over human expert solutions while requiring only 15 minutes and \$0.88 per task using GPT-4o. Furthermore, under official MCM/ICM protocols, MM-Agent assisted two undergraduate teams in winning the Finalist Award (top 2.0\% among 27,456 teams) in MCM/ICM 2025, demonstrating its practical effectiveness as a modeling copilot. Our code is available at https://github.com/usail-hkust/LLM-MM-Agent

Traditional animation generation methods depend on training generative models with human-labelled data, entailing a sophisticated multi-stage pipeline that demands substantial human effort and incurs high training costs. Due to limited prompting plans, these methods typically produce brief, information-poor, and context-incoherent animations. To overcome these limitations and automate the animation process, we pioneer the introduction of large multimodal models (LMMs) as the core processor to build an autonomous animation-making agent, named Anim-Director. This agent mainly harnesses the advanced understanding and reasoning capabilities of LMMs and generative AI tools to create animated videos from concise narratives or simple instructions. Specifically, it operates in three main stages: Firstly, the Anim-Director generates a coherent storyline from user inputs, followed by a detailed director's script that encompasses settings of character profiles and interior/exterior descriptions, and context-coherent scene descriptions that include appearing characters, interiors or exteriors, and scene events. Secondly, we employ LMMs with the image generation tool to produce visual images of settings and scenes. These images are designed to maintain visual consistency across different scenes using a visual-language prompting method that combines scene descriptions and images of the appearing character and setting. Thirdly, scene images serve as the foundation for producing animated videos, with LMMs generating prompts to guide this process. The whole process is notably autonomous without manual intervention, as the LMMs interact seamlessly with generative tools to generate prompts, evaluate visual quality, and select the best one to optimize the final output.

Current AI agent frameworks commit early to a single interaction protocol, a fixed tool integration strategy, and static user models, limiting their deployment across diverse interaction paradigms. To address these constraints, we introduce STEM Agent (Self-adapting, Tool-enabled, Extensible, Multi-agent), a modular architecture inspired by biological pluripotency in which an undifferentiated agent core differentiates into specialized protocol handlers, tool bindings, and memory subsystems that compose into a fully functioning AI system. The framework unifies five interoperability protocols (A2A, AG-UI, A2UI, UCP, and AP2) behind a single gateway, introduces a Caller Profiler that continuously learns user preferences across more than twenty behavioral dimensions, externalizes all domain capabilities through the Model Context Protocol (MCP), and implements a biologically inspired skills acquisition system in which recurring interaction patterns crystallize into reusable agent skills through a maturation lifecycle analogous to cell differentiation. Complementing these capabilities, the memory system incorporates consolidation mechanisms, including episodic pruning, semantic deduplication, and pattern extraction, designed for sub-linear growth under sustained interaction. A comprehensive 413-test suite validates protocol handler behavior and component integration across all five architectural layers, completing in under three seconds.

This study critically distinguishes between AI Agents and Agentic AI, offering a structured conceptual taxonomy, application mapping, and challenge analysis to clarify their divergent design philosophies and capabilities. We begin by outlining the search strategy and foundational definitions, characterizing AI Agents as modular systems driven by Large Language Models (LLMs) and Large Image Models (LIMs) for narrow, task-specific automation. Generative AI is positioned as a precursor, with AI Agents advancing through tool integration, prompt engineering, and reasoning enhancements. In contrast, Agentic AI systems represent a paradigmatic shift marked by multi-agent collaboration, dynamic task decomposition, persistent memory, and orchestrated autonomy. Through a sequential evaluation of architectural evolution, operational mechanisms, interaction styles, and autonomy levels, we present a comparative analysis across both paradigms. Application domains such as customer support, scheduling, and data summarization are contrasted with Agentic AI deployments in research automation, robotic coordination, and medical decision support. We further examine unique challenges in each paradigm including hallucination, brittleness, emergent behavior, and coordination failure and propose targeted solutions such as ReAct loops, RAG, orchestration layers, and causal modeling. This work aims to provide a definitive roadmap for developing robust, scalable, and explainable AI agent and Agentic AI-driven systems. >AI Agents, Agent-driven, Vision-Language-Models, Agentic AI Decision Support System, Agentic-AI Applications

We introduce a new domain expert mixture (DEMix) layer that enables conditioning a language model (LM) on the domain of the input text. A DEMix layer is a collection of expert feedforward networks, each specialized to a domain, that makes the LM modular: experts can be mixed, added or removed after initial training. Extensive experiments with autoregressive transformer LMs (up to 1.3B parameters) show that DEMix layers reduce test-time perplexity, increase training efficiency, and enable rapid adaptation with little overhead. We show that mixing experts during inference, using a parameter-free weighted ensemble, allows the model to better generalize to heterogeneous or unseen domains. We also show that experts can be added to iteratively incorporate new domains without forgetting older ones, and that experts can be removed to restrict access to unwanted domains, without additional training. Overall, these results demonstrate benefits of explicitly conditioning on textual domains during language modeling.

Large language models (LLMs) have recently demonstrated remarkable capabilities to comprehend human intentions, engage in reasoning, and design planning-like behavior. To further unleash the power of LLMs to accomplish complex tasks, there is a growing trend to build agent framework that equips LLMs, such as ChatGPT, with tool-use abilities to connect with massive external APIs. In this work, we introduce ModelScope-Agent, a general and customizable agent framework for real-world applications, based on open-source LLMs as controllers. It provides a user-friendly system library, with customizable engine design to support model training on multiple open-source LLMs, while also enabling seamless integration with both model APIs and common APIs in a unified way. To equip the LLMs with tool-use abilities, a comprehensive framework has been proposed spanning over tool-use data collection, tool retrieval, tool registration, memory control, customized model training, and evaluation for practical real-world applications. Finally, we showcase ModelScopeGPT, a real-world intelligent assistant of ModelScope Community based on the ModelScope-Agent framework, which is able to connect open-source LLMs with more than 1000 public AI models and localized community knowledge in ModelScope. The ModelScope-Agent libraryhttps://github.com/modelscope/modelscope-agent and online demohttps://modelscope.cn/studios/damo/ModelScopeGPT/summary are now publicly available.

Recent advances in LLM Multi-Agent Systems enable scalable orchestration of sub-agents, each coordinating hundreds or thousands of tools or Model Context Protocol (MCP) servers. However, existing retrieval methods typically match queries against coarse agent-level descriptions before routing, which obscures fine-grained tool functionality and often results in suboptimal agent selection. We introduce Tool-to-Agent Retrieval, a unified framework that embeds both tools and their parent agents in a shared vector space and connects them through metadata relationships. By explicitly representing tool capabilities and traversing metadata to the agent level, Tool-to-Agent Retrieval enables granular tool-level or agent-level retrieval, ensuring that agents and their underlying tools or MCP servers are equally represented without the context dilution that arises from chunking many tools together. Evaluating Tool-to-Agent Retrieval across eight embedding models, our approach achieves consistent improvements of 19.4% in Recall@5 and 17.7% in nDCG@5 over previous state-of-the-art agent retrievers on the LiveMCPBench benchmark.

Recent efforts have augmented large language models (LLMs) with external resources (e.g., the Internet) or internal control flows (e.g., prompt chaining) for tasks requiring grounding or reasoning, leading to a new class of language agents. While these agents have achieved substantial empirical success, we lack a systematic framework to organize existing agents and plan future developments. In this paper, we draw on the rich history of cognitive science and symbolic artificial intelligence to propose Cognitive Architectures for Language Agents (CoALA). CoALA describes a language agent with modular memory components, a structured action space to interact with internal memory and external environments, and a generalized decision-making process to choose actions. We use CoALA to retrospectively survey and organize a large body of recent work, and prospectively identify actionable directions towards more capable agents. Taken together, CoALA contextualizes today's language agents within the broader history of AI and outlines a path towards language-based general intelligence.

The advancement of LLM agents with tool-use capabilities requires diverse and complex training corpora. Existing data generation methods, which predominantly follow a paradigm of random sampling and shallow generation, often yield simple and homogeneous trajectories that fail to capture complex, implicit logical dependencies. To bridge this gap, we introduce HardGen, an automatic agentic pipeline designed to generate hard tool-use training samples with verifiable reasoning. Firstly, HardGen establishes a dynamic API Graph built upon agent failure cases, from which it samples to synthesize hard traces. Secondly, these traces serve as conditional priors to guide the instantiation of modular, abstract advanced tools, which are subsequently leveraged to formulate hard queries. Finally, the advanced tools and hard queries enable the generation of verifiable complex Chain-of-Thought (CoT), with a closed-loop evaluation feedback steering the continuous refinement of the process. Extensive evaluations demonstrate that a 4B parameter model trained with our curated dataset achieves superior performance compared to several leading open-source and closed-source competitors (e.g., GPT-5.2, Gemini-3-Pro and Claude-Opus-4.5). Our code, models, and dataset will be open-sourced to facilitate future research.

The drive toward automating cellular network operations has grown with the increasing complexity of these systems. Despite advancements, full autonomy currently remains out of reach due to reliance on human intervention for modeling network behaviors and defining policies to meet target requirements. Network Digital Twins (NDTs) have shown promise in enhancing network intelligence, but the successful implementation of this technology is constrained by use case-specific architectures, limiting its role in advancing network autonomy. A more capable network intelligence, or "telecommunications brain", is needed to enable seamless, autonomous management of cellular network. Large Language Models (LLMs) have emerged as potential enablers for this vision but face challenges in network modeling, especially in reasoning and handling diverse data types. To address these gaps, we introduce Hermes, a chain of LLM agents that uses "blueprints" for constructing NDT instances through structured and explainable logical steps. Hermes allows automatic, reliable, and accurate network modeling of diverse use cases and configurations, thus marking progress toward fully autonomous network operations.

AI agents equipped with tool-calling capabilities are susceptible to Indirect Prompt Injection (IPI) attacks. In this attack scenario, malicious commands hidden within untrusted content trick the agent into performing unauthorized actions. Existing defenses can reduce attack success but often suffer from the over-defense dilemma: they deploy expensive, always-on sanitization regardless of actual threat, thereby degrading utility and latency even in benign scenarios. We revisit IPI through a causal ablation perspective: a successful injection manifests as a dominance shift where the user request no longer provides decisive support for the agent's privileged action, while a particular untrusted segment, such as a retrieved document or tool output, provides disproportionate attributable influence. Based on this signature, we propose CausalArmor, a selective defense framework that (i) computes lightweight, leave-one-out ablation-based attributions at privileged decision points, and (ii) triggers targeted sanitization only when an untrusted segment dominates the user intent. Additionally, CausalArmor employs retroactive Chain-of-Thought masking to prevent the agent from acting on ``poisoned'' reasoning traces. We present a theoretical analysis showing that sanitization based on attribution margins conditionally yields an exponentially small upper bound on the probability of selecting malicious actions. Experiments on AgentDojo and DoomArena demonstrate that CausalArmor matches the security of aggressive defenses while improving explainability and preserving utility and latency of AI agents.

Based on their superior comprehension and reasoning capabilities, Large Language Model (LLM) driven agent frameworks have achieved significant success in numerous complex reasoning tasks. ReAct-like agents can solve various intricate problems step-by-step through progressive planning and tool calls, iteratively optimizing new steps based on environmental feedback. However, as the planning capabilities of LLMs improve, the actions invoked by tool calls in ReAct-like frameworks often misalign with complex planning and challenging data organization. Code Action addresses these issues while also introducing the challenges of a more complex action space and more difficult action organization. To leverage Code Action and tackle the challenges of its complexity, this paper proposes Policy and Action Dual-Control Agent (PoAct) for generalized applications. The aim is to achieve higher-quality code actions and more accurate reasoning paths by dynamically switching reasoning policies and modifying the action space. Experimental results on the Agent Benchmark for both legal and generic scenarios demonstrate the superior reasoning capabilities and reduced token consumption of our approach in complex tasks. On the LegalAgentBench, our method shows a 20 percent improvement over the baseline while requiring fewer tokens. We conducted experiments and analyses on the GPT-4o and GLM-4 series models, demonstrating the significant potential and scalability of our approach to solve complex problems.

This paper presents TAMUSA-Chat, a research-oriented framework for building domain-adapted large language model conversational systems. The work addresses critical challenges in adapting general-purpose foundation models to institutional contexts through supervised fine-tuning, retrieval-augmented generation, and systematic evaluation methodologies. We describe the complete architecture encompassing data acquisition from institutional sources, preprocessing pipelines, embedding construction, model training workflows, and deployment strategies. The system integrates modular components enabling reproducible experimentation with training configurations, hyper-parameters, and evaluation protocols. Our implementation demonstrates how academic institutions can develop contextually grounded conversational agents while maintaining transparency, governance compliance, and responsible AI practices. Through empirical analysis of fine-tuning behavior across model sizes and training iterations, we provide insights into domain adaptation efficiency, computational resource requirements, and quality-cost trade-offs. The publicly available codebase at https://github.com/alsmadi/TAMUSA_LLM_Based_Chat_app supports continued research into institutional LLM deployment, evaluation methodologies, and ethical considerations for educational AI systems.

The reasoning capabilities of LLM (Large Language Model) are widely acknowledged in recent research, inspiring studies on tool learning and autonomous agents. LLM serves as the "brain" of the agent, orchestrating multiple tools for collaborative multi-step task solving. Unlike methods invoking tools like calculators or weather APIs for straightforward tasks, multi-modal agents excel by integrating diverse AI models for complex challenges. However, current multi-modal agents neglect the significance of model selection: they primarily focus on the planning and execution phases, and will only invoke predefined task-specific models for each subtask, making the execution fragile. Meanwhile, other traditional model selection methods are either incompatible with or suboptimal for the multi-modal agent scenarios, due to ignorance of dependencies among subtasks arising by multi-step reasoning. To this end, we identify the key challenges therein and propose the M^3 framework as a plug-in with negligible runtime overhead at test-time. This framework improves model selection and bolsters the robustness of multi-modal agents in multi-step reasoning. In the absence of suitable benchmarks, we create MS-GQA, a new dataset specifically designed to investigate the model selection challenge in multi-modal agents. Our experiments reveal that our framework enables dynamic model selection, considering both user inputs and subtask dependencies, thereby robustifying the overall reasoning process. Our code and benchmark: https://github.com/LINs-lab/M3.

With the rise of artificial intelligence (AI), applying large language models (LLMs) to Operations Research (OR) problem-solving has attracted increasing attention. Most existing approaches attempt to improve OR problem-solving through prompt engineering or fine-tuning strategies for LLMs. However, these methods are fundamentally constrained by the limited capabilities of non-reasoning LLMs. To overcome these limitations, we propose OR-LLM-Agent, an AI agent built on reasoning LLMs for automated OR problem solving. The agent decomposes the task into three sequential stages: mathematical modeling, code generation, and debugging. Each task is handled by a dedicated sub-agent, which enables more targeted reasoning. We also construct BWOR, a high-quality dataset for evaluating LLM performance on OR tasks. Our analysis shows that existing benchmarks such as NL4OPT, MAMO, and IndustryOR suffer from certain issues, making them less suitable for reliably evaluating LLM performance. In contrast, BWOR provides a more consistent and discriminative assessment of model capabilities. Experimental results demonstrate that OR-LLM-Agent outperforms advanced methods, including GPT-o3, Gemini 2.5 Pro, and ORLM, by at least 7% in accuracy. These results demonstrate the effectiveness of task decomposition for OR problem solving.

Optimization problems are pervasive in sectors from manufacturing and distribution to healthcare. However, most such problems are still solved heuristically by hand rather than optimally by state-of-the-art solvers because the expertise required to formulate and solve these problems limits the widespread adoption of optimization tools and techniques. This paper introduces OptiMUS, a Large Language Model (LLM)-based agent designed to formulate and solve (mixed integer) linear programming problems from their natural language descriptions. OptiMUS can develop mathematical models, write and debug solver code, evaluate the generated solutions, and improve its model and code based on these evaluations. OptiMUS utilizes a modular structure to process problems, allowing it to handle problems with long descriptions and complex data without long prompts. Experiments demonstrate that OptiMUS outperforms existing state-of-the-art methods on easy datasets by more than 20% and on hard datasets (including a new dataset, NLP4LP, released with this paper that features long and complex problems) by more than 30%.

Large language models (LLMs) exhibit strong capabilities as decision-making agents by interleaving reasoning and actions, as seen in ReAct-style frameworks. Yet, their practical deployment is constrained by high inference costs and large model sizes. We propose Structured Agent Distillation, a framework that compresses large LLM-based agents into smaller student models while preserving both reasoning fidelity and action consistency. Unlike standard token-level distillation, our method segments trajectories into {[REASON]} and {[ACT]} spans, applying segment-specific losses to align each component with the teacher's behavior. This structure-aware supervision enables compact agents to better replicate the teacher's decision process. Experiments on ALFWorld, HotPotQA-ReAct, and WebShop show that our approach consistently outperforms token-level and imitation learning baselines, achieving significant compression with minimal performance drop. Scaling and ablation results further highlight the importance of span-level alignment for efficient and deployable agents.

Existing LLM agent systems typically select actions from a fixed and predefined set at every step. While this approach is effective in closed, narrowly-scoped environments, we argue that it presents two major challenges when deploying LLM agents in real-world scenarios: (1) selecting from a fixed set of actions significantly restricts the planning and acting capabilities of LLM agents, and (2) this approach requires substantial human effort to enumerate and implement all possible actions, which becomes impractical in complex environments with a vast number of potential actions. In this work, we propose an LLM agent framework that enables the dynamic creation and composition of actions in an online manner. In this framework, the agent interacts with the environment by generating and executing programs written in a general-purpose programming language at each step. Furthermore, generated actions are accumulated over time for future reuse. Our extensive experiments on the GAIA benchmark demonstrate that this framework offers significantly greater flexibility and outperforms previous methods. Notably, it allows an LLM agent to recover in scenarios where no relevant action exists in the predefined set or when existing actions fail due to unforeseen edge cases. At the time of writing, we hold the top position on the GAIA public leaderboard. Our code can be found in https://github.com/adobe-research/dynasaur{https://github.com/adobe-research/dynasaur}.

Multi-agent systems (MAS) have emerged as a powerful paradigm for orchestrating large language models (LLMs) and specialized tools to collaboratively address complex tasks. However, existing MAS frameworks often require manual workflow configuration and lack native support for dynamic evolution and performance optimization. In addition, many MAS optimization algorithms are not integrated into a unified framework. In this paper, we present EvoAgentX, an open-source platform that automates the generation, execution, and evolutionary optimization of multi-agent workflows. EvoAgentX employs a modular architecture consisting of five core layers: the basic components, agent, workflow, evolving, and evaluation layers. Specifically, within the evolving layer, EvoAgentX integrates three MAS optimization algorithms, TextGrad, AFlow, and MIPRO, to iteratively refine agent prompts, tool configurations, and workflow topologies. We evaluate EvoAgentX on HotPotQA, MBPP, and MATH for multi-hop reasoning, code generation, and mathematical problem solving, respectively, and further assess it on real-world tasks using GAIA. Experimental results show that EvoAgentX consistently achieves significant performance improvements, including a 7.44% increase in HotPotQA F1, a 10.00% improvement in MBPP pass@1, a 10.00% gain in MATH solve accuracy, and an overall accuracy improvement of up to 20.00% on GAIA. The source code is available at: https://github.com/EvoAgentX/EvoAgentX

Tool-integrated agents that interleave reasoning with API calls are promising for complex tasks, yet aligning them for high-stakes, domain-specific deployment remains challenging: existing reinforcement learning approaches rely on coarse binary rewards that cannot distinguish tool selection errors from malformed parameters. We present ToolRLA, a three-stage post-training pipeline (SFT -> GRPO -> DPO) for domain-specific tool agents. The core contribution is a fine-grained reward function with multiplicative correctness decomposition spanning four dimensions -- format validity, tool selection, parameter accuracy, and regulatory compliance -- that encodes domain priority orderings as inductive biases in the reward landscape. Deployed on a financial advisory copilot (80+ advisors, 1,200+ daily queries), ToolRLA achieves over three months: a 47% improvement in task completion rate (62%->91%), a 63% reduction in tool invocation errors (38%->14%), and a 93% reduction in regulatory violations (12%->0.8%), within sub-2-second latency. Ablation studies show the multiplicative reward design accounts for 7 percentage points of improvement over additive alternatives. Generalization is further validated on ToolBench and API-Bank.

Agentic systems enable the intelligent use of research tooling, augmenting a researcher's ability to investigate and propose novel solutions to existing problems. Within Additive Manufacturing (AM), alloy discovery remains a complex challenge, often requiring expertise in the various domains of materials science, thermodynamic simulations, and experimental analysis. Large Language Model (LLM) enabled agents can facilitate this endeavor by utilizing their extensive knowledge base to dispatch tool calls via Model Context Protocol (MCP) to perform actions such as Thermo-Calc property diagram calculations and lack of fusion process map generation. In addition, the multi-agent system developed in this work is able to effectively reason through complex user prompts and provide analysis on the printability of proposed alloys. These agents can dynamically adjust their task trajectory to the outcomes of tool call results, effectively enabling autonomous decision-making in practical environments. This work aims to utilize LLM enabled agents to automate and accelerate the task of alloy discovery within the field of additive manufacturing and showcase the benefits of adopting this multi-agent system.

Although recent end-to-end video generation models demonstrate impressive performance in visually oriented content creation, they remain limited in scenarios that require strict logical rigor and precise knowledge representation, such as instructional and educational media. To address this problem, we propose LAVES, a hierarchical LLM-based multi-agent system for generating high-quality instructional videos from educational problems. The LAVES formulates educational video generation as a multi-objective task that simultaneously demands correct step-by-step reasoning, pedagogically coherent narration, semantically faithful visual demonstrations, and precise audio--visual alignment. To address the limitations of prior approaches--including low procedural fidelity, high production cost, and limited controllability--LAVES decomposes the generation workflow into specialized agents coordinated by a central Orchestrating Agent with explicit quality gates and iterative critique mechanisms. Specifically, the Orchestrating Agent supervises a Solution Agent for rigorous problem solving, an Illustration Agent that produces executable visualization codes, and a Narration Agent for learner-oriented instructional scripts. In addition, all outputs from the working agents are subject to semantic critique, rule-based constraints, and tool-based compilation checks. Rather than directly synthesizing pixels, the system constructs a structured executable video script that is deterministically compiled into synchronized visuals and narration using template-driven assembly rules, enabling fully automated end-to-end production without manual editing. In large-scale deployments, LAVES achieves a throughput exceeding one million videos per day, delivering over a 95% reduction in cost compared to current industry-standard approaches while maintaining a high acceptance rate.

Intrusion Detection and Prevention Systems (IDS/IPS) in large enterprises can generate hundreds of thousands of alerts per hour, overwhelming analysts with logs requiring rapidly evolving expertise. Conventional machine-learning detectors reduce alert volume but still yield many false positives, while standard Retrieval-Augmented Generation (RAG) pipelines often retrieve irrelevant context and fail to justify predictions. We present CyberRAG, a modular agent-based RAG framework that delivers real-time classification, explanation, and structured reporting for cyber-attacks. A central LLM agent orchestrates: (i) fine-tuned classifiers specialized by attack family; (ii) tool adapters for enrichment and alerting; and (iii) an iterative retrieval-and-reason loop that queries a domain-specific knowledge base until evidence is relevant and self-consistent. Unlike traditional RAG, CyberRAG adopts an agentic design that enables dynamic control flow and adaptive reasoning. This architecture autonomously refines threat labels and natural-language justifications, reducing false positives and enhancing interpretability. It is also extensible: new attack types can be supported by adding classifiers without retraining the core agent. CyberRAG was evaluated on SQL Injection, XSS, and SSTI, achieving over 94\% accuracy per class and a final classification accuracy of 94.92\% through semantic orchestration. Generated explanations reached 0.94 in BERTScore and 4.9/5 in GPT-4-based expert evaluation, with robustness preserved against adversarial and unseen payloads. These results show that agentic, specialist-oriented RAG can combine high detection accuracy with trustworthy, SOC-ready prose, offering a flexible path toward partially automated cyber-defense workflows.

Learning from experience is critical for building capable large language model (LLM) agents, yet prevailing self-evolving paradigms remain inefficient: agents learn in isolation, repeatedly rediscover similar behaviors from limited experience, resulting in redundant exploration and poor generalization. To address this problem, we propose SkillX, a fully automated framework for constructing a plug-and-play skill knowledge base that can be reused across agents and environments. SkillX operates through a fully automated pipeline built on three synergistic innovations: (i) Multi-Level Skills Design, which distills raw trajectories into three-tiered hierarchy of strategic plans, functional skills, and atomic skills; (ii) Iterative Skills Refinement, which automatically revises skills based on execution feedback to continuously improve library quality; and (iii) Exploratory Skills Expansion, which proactively generates and validates novel skills to expand coverage beyond seed training data. Using a strong backbone agent (GLM-4.6), we automatically build a reusable skill library and evaluate its transferability on challenging long-horizon, user-interactive benchmarks, including AppWorld, BFCL-v3, and τ^2-Bench. Experiments show that SkillKB consistently improves task success and execution efficiency when plugged into weaker base agents, highlighting the importance of structured, hierarchical experience representations for generalizable agent learning. Our code will be publicly available soon at https://github.com/zjunlp/SkillX.

Large language models (LLMs) have achieved significant success across various domains. However, the inherent complexity of causal problems and causal theory poses challenges in accurately describing them in natural language, making it difficult for LLMs to comprehend and use them effectively. Causal methods are not easily conveyed through natural language, which hinders LLMs' ability to apply them accurately. Additionally, causal datasets are typically tabular, while LLMs excel in handling natural language data, creating a structural mismatch that impedes effective reasoning with tabular data. This lack of causal reasoning capability limits the development of LLMs. To address these challenges, we have equipped the LLM with causal tools within an agent framework, named the Causal Agent, enabling it to tackle causal problems. The causal agent comprises tools, memory, and reasoning modules. In the tools module, the causal agent applies causal methods to align tabular data with natural language. In the reasoning module, the causal agent employs the ReAct framework to perform reasoning through multiple iterations with the tools. In the memory module, the causal agent maintains a dictionary instance where the keys are unique names and the values are causal graphs. To verify the causal ability of the causal agent, we established a benchmark consisting of four levels of causal problems: variable level, edge level, causal graph level, and causal effect level. We generated a test dataset of 1.3K using ChatGPT-3.5 for these four levels of issues and tested the causal agent on the datasets. Our methodology demonstrates remarkable efficacy on the four-level causal problems, with accuracy rates all above 80%. For further insights and implementation details, our code is accessible via the GitHub repository https://github.com/Kairong-Han/Causal_Agent.

Scientific user facilities, such as synchrotron beamlines, are equipped with a wide array of hardware and software tools that require a codebase for human-computer-interaction. This often necessitates developers to be involved to establish connection between users/researchers and the complex instrumentation. The advent of generative AI presents an opportunity to bridge this knowledge gap, enabling seamless communication and efficient experimental workflows. Here we present a modular architecture for the Virtual Scientific Companion (VISION) by assembling multiple AI-enabled cognitive blocks that each scaffolds large language models (LLMs) for a specialized task. With VISION, we performed LLM-based operation on the beamline workstation with low latency and demonstrated the first voice-controlled experiment at an X-ray scattering beamline. The modular and scalable architecture allows for easy adaptation to new instrument and capabilities. Development on natural language-based scientific experimentation is a building block for an impending future where a science exocortex -- a synthetic extension to the cognition of scientists -- may radically transform scientific practice and discovery.

Large language models (LLMs) face challenges in solving complex mathematical problems that require comprehensive capacities to parse the statements, associate domain knowledge, perform compound logical reasoning, and integrate the intermediate rationales. Tackling all these problems once could be arduous for LLMs, thus leading to confusion in generation. In this work, we explore the potential of enhancing LLMs with agents by meticulous decomposition and modeling of mathematical reasoning process. Specifically, we propose a formal description of the mathematical solving and extend LLMs with an agent-based zero-shot framework named Planner-Reasoner-Executor-Reflector (PRER). We further provide and implement two MathAgents that define the logical forms and inherent relations via a pool of actions in different grains and orientations: MathAgent-M adapts its actions to LLMs, while MathAgent-H aligns with humankind. Experiments on miniF2F and MATH have demonstrated the effectiveness of PRER and proposed MathAgents, achieving an increase of 12.3%(53.9%66.2%) on the MiniF2F, 9.2% (49.8%59.0%) on MATH, and 13.2%(23.2%35.4%) for level-5 problems of MATH against GPT-4. Further analytical results provide more insightful perspectives on exploiting the behaviors of LLMs as agents.

Large Language Models (LLMs) demonstrate remarkable capabilities in various reasoning tasks. However, they encounter significant challenges when it comes to scientific reasoning, particularly in physics, which requires not only mathematical reasoning but also factual and conceptual understanding. When addressing complex physics problems, LLMs typically face three key issues: problem miscomprehension, incorrect concept application, and computational errors. While each of these problems can be addressed individually, there is a need for a generalized approach that can tackle all three issues simultaneously. To address this, we introduce Mixture of Refinement Agents (MoRA), a novel agentic refinement framework that iteratively refines the LLM generated base solution by correcting the aforementioned errors, resulting in a significant performance improvement for open-source LLMs. Our approach aims to bridge the gap between opensource LLMs and GPT-4o by utilizing the latter as error identifier to guide these refinement agents. We evaluate our approach on the SciEval and MMLU subsets along with our own physics dataset (PhysicsQA). MoRA significantly improves the performance of Llama-3-70B and Gemma-2-27B on these datasets, achieving up to a 16% increase in final answer accuracy.

This paper presents a Large Language Model (LLM) based conversational agent system designed to enhance human-machine collaboration in Machine Learning Operations (MLOps). We introduce the Swarm Agent, an extensible architecture that integrates specialized agents to create and manage ML workflows through natural language interactions. The system leverages a hierarchical, modular design incorporating a KubeFlow Pipelines (KFP) Agent for ML pipeline orchestration, a MinIO Agent for data management, and a Retrieval-Augmented Generation (RAG) Agent for domain-specific knowledge integration. Through iterative reasoning loops and context-aware processing, the system enables users with varying technical backgrounds to discover, execute, and monitor ML pipelines; manage datasets and artifacts; and access relevant documentation, all via intuitive conversational interfaces. Our approach addresses the accessibility gap in complex MLOps platforms like Kubeflow, making advanced ML tools broadly accessible while maintaining the flexibility to extend to other platforms. The paper describes the architecture, implementation details, and demonstrates how this conversational MLOps assistant reduces complexity and lowers barriers to entry for users across diverse technical skill levels.

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that cannot adapt to intermediate findings, and inadequate context management that hinders long-horizon research. We present freephdlabor, an open-source multiagent framework featuring fully dynamic workflows determined by real-time agent reasoning and a \textit{modular architecture} enabling seamless customization -- users can modify, add, or remove agents to address domain-specific requirements. The framework provides comprehensive infrastructure including automatic context compaction, workspace-based communication to prevent information degradation, memory persistence across sessions, and non-blocking human intervention mechanisms. These features collectively transform automated research from isolated, single-run attempts into continual research programs that build systematically on prior explorations and incorporate human feedback. By providing both the architectural principles and practical implementation for building customizable co-scientist systems, this work aims to facilitate broader adoption of automated research across scientific domains, enabling practitioners to deploy interactive multiagent systems that autonomously conduct end-to-end research -- from ideation through experimentation to publication-ready manuscripts.

Autonomous agents powered by large language models (LLMs) have attracted significant research interest. However, the open-source community faces many challenges in developing specialized models for agent tasks, driven by the scarcity of high-quality agent datasets and the absence of standard protocols in this area. We introduce and publicly release xLAM, a series of large action models designed for AI agent tasks. The xLAM series includes five models with both dense and mixture-of-expert architectures, ranging from 1B to 8x22B parameters, trained using a scalable, flexible pipeline that unifies, augments, and synthesizes diverse datasets to enhance AI agents' generalizability and performance across varied environments. Our experimental results demonstrate that xLAM consistently delivers exceptional performance across multiple agent ability benchmarks, notably securing the 1st position on the Berkeley Function-Calling Leaderboard, outperforming GPT-4, Claude-3, and many other models in terms of tool use. By releasing the xLAM series, we aim to advance the performance of open-source LLMs for autonomous AI agents, potentially accelerating progress and democratizing access to high-performance models for agent tasks. Models are available at https://huggingface.co/collections/Salesforce/xlam-models-65f00e2a0a63bbcd1c2dade4

As agent systems powered by large language models (LLMs) advance, improving the task performance of an autonomous agent, especially in context understanding, tool usage, and response generation, has become increasingly critical. Although prior studies have advanced the overall design of LLM-based agents, systematic optimization of their internal reasoning and tool-use pipelines remains underexplored. This paper introduces an agent framework grounded in real-world practical experience, with three key innovations: (1) an adaptive prompt generation strategy that aligns with the agent's state and task goals to improve reliability and robustness; (2) a context-aware tool orchestration module that performs tool categorization, semantic retrieval, and adaptive invocation based on user intent and context; and (3) a layered memory mechanism that integrates session memory, task history, and external summaries to improve relevance and efficiency through dynamic summarization and compression. An end-to-end framework named Jenius-Agent has been integrated with three key optimizations, including tools based on the Model Context Protocol (MCP), file input/output (I/O), and execution feedback. The experiments show a 20 percent improvement in task accuracy, along with a reduced token cost, response latency, and invocation failures. The framework is already deployed in Jenius (https://www.jenius.cn), providing a lightweight and scalable solution for robust, protocol-compatible autonomous agents.

The Polymorphic Combinatorial Framework (PCF) leverages Large Language Models (LLMs) and mathematical frameworks to guide the meta-prompt enabled design of solution spaces and adaptive AI agents for complex, dynamic environments. Unlike static agent architectures, PCF enables real-time parameter reconfiguration through mathematically-grounded combinatorial spaces, allowing agents to adapt their core behavioral traits dynamically. Grounded in combinatorial logic, topos theory, and rough fuzzy set theory, PCF defines a multidimensional SPARK parameter space (Skills, Personalities, Approaches, Resources, Knowledge) to capture agent behaviors. This paper demonstrates how LLMs can parameterize complex spaces and estimate likely parameter values/variabilities. Using PCF, we parameterized mock caf\'e domains (five levels of complexity), estimated variables/variabilities, and conducted over 1.25 million Monte Carlo simulations. The results revealed trends in agent adaptability and performance across the five complexity tiers, with diminishing returns at higher complexity levels highlighting thresholds for scalable designs. PCF enables the generation of optimized agent configurations for specific scenarios while maintaining logical consistency. This framework supports scalable, dynamic, explainable, and ethical AI applications in domains like customer service, healthcare, robotics, and collaborative systems, paving the way for adaptable and cooperative next-generation polymorphic agents.

In this paper, we aim to improve the reasoning ability of large language models (LLMs) over knowledge graphs (KGs) to answer complex questions. Inspired by existing methods that design the interaction strategy between LLMs and KG, we propose an autonomous LLM-based agent framework, called KG-Agent, which enables a small LLM to actively make decisions until finishing the reasoning process over KGs. In KG-Agent, we integrate the LLM, multifunctional toolbox, KG-based executor, and knowledge memory, and develop an iteration mechanism that autonomously selects the tool then updates the memory for reasoning over KG. To guarantee the effectiveness, we leverage program language to formulate the multi-hop reasoning process over the KG, and synthesize a code-based instruction dataset to fine-tune the base LLM. Extensive experiments demonstrate that only using 10K samples for tuning LLaMA-7B can outperform state-of-the-art methods using larger LLMs or more data, on both in-domain and out-domain datasets. Our code and data will be publicly released.

Tool-augmented LLM agents increasingly rely on multi-step, multi-tool workflows to complete real tasks. This design expands the attack surface, because data produced by one tool can be persisted and later reused as input to another tool, enabling exploitable source-to-sink dataflows that only emerge through tool composition. We study this risk as multi-tool vulnerabilities in LLM agents, and show that existing discovery efforts focused on single-tool or single-hop testing miss these long-horizon behaviors and provide limited debugging value. We present ChainFuzzer, a greybox framework for discovering and reproducing multi-tool vulnerabilities with auditable evidence. ChainFuzzer (i) identifies high-impact operations with strict source-to-sink dataflow evidence and extracts plausible upstream candidate tool chains based on cross-tool dependencies, (ii) uses Trace-guided Prompt Solving (TPS) to synthesize stable prompts that reliably drive the agent to execute target chains, and (iii) performs guardrail-aware fuzzing to reproduce vulnerabilities under LLM guardrails via payload mutation and sink-specific oracles. We evaluate ChainFuzzer on 20 popular open-source LLM agent apps (998 tools). ChainFuzzer extracts 2,388 candidate tool chains and synthesizes 2,213 stable prompts, confirming 365 unique, reproducible vulnerabilities across 19/20 apps (302 require multi-tool execution). Component evaluation shows tool-chain extraction achieves 96.49% edge precision and 91.50% strict chain precision; TPS increases chain reachability from 27.05% to 95.45%; guardrail-aware fuzzing boosts payload-level trigger rate from 18.20% to 88.60%. Overall, ChainFuzzer achieves 3.02 vulnerabilities per 1M tokens, providing a practical foundation for testing and hardening real-world multi-tool agent systems.

In modern sequential decision-making systems, the construction of an optimal candidate action space is critical to efficient inference. However, existing approaches either rely on manually defined action spaces that lack scalability or utilize unstructured spaces that render exhaustive search computationally prohibitive. In this paper, we propose a novel framework named DynaAct for automatically constructing a compact action space to enhance sequential reasoning in complex problem-solving scenarios. Our method first estimates a proxy for the complete action space by extracting general sketches observed in a corpus covering diverse complex reasoning problems using large language models. We then formulate a submodular function that jointly evaluates candidate actions based on their utility to the current state and their diversity, and employ a greedy algorithm to select an optimal candidate set. Extensive experiments on six diverse standard benchmarks demonstrate that our approach significantly improves overall performance, while maintaining efficient inference without introducing substantial latency. The implementation is available at https://github.com/zhaoxlpku/DynaAct.

Explainable AI (XAI) refers to techniques that provide human-understandable insights into the workings of AI models. Recently, the focus of XAI is being extended towards Large Language Models (LLMs) which are often criticized for their lack of transparency. This extension calls for a significant transformation in XAI methodologies because of two reasons. First, many existing XAI methods cannot be directly applied to LLMs due to their complexity advanced capabilities. Second, as LLMs are increasingly deployed across diverse industry applications, the role of XAI shifts from merely opening the "black box" to actively enhancing the productivity and applicability of LLMs in real-world settings. Meanwhile, unlike traditional machine learning models that are passive recipients of XAI insights, the distinct abilities of LLMs can reciprocally enhance XAI. Therefore, in this paper, we introduce Usable XAI in the context of LLMs by analyzing (1) how XAI can benefit LLMs and AI systems, and (2) how LLMs can contribute to the advancement of XAI. We introduce 10 strategies, introducing the key techniques for each and discussing their associated challenges. We also provide case studies to demonstrate how to obtain and leverage explanations. The code used in this paper can be found at: https://github.com/JacksonWuxs/UsableXAI_LLM.

Large language models (LLMs) have achieved remarkable results across diverse downstream tasks, but their monolithic nature restricts scalability and efficiency in complex problem-solving. While recent research explores multi-agent collaboration among LLMs, most approaches rely on static organizational structures that struggle to adapt as task complexity and agent numbers grow, resulting in coordination overhead and inefficiencies. To this end, we propose a puppeteer-style paradigm for LLM-based multi-agent collaboration, where a centralized orchestrator ("puppeteer") dynamically directs agents ("puppets") in response to evolving task states. This orchestrator is trained via reinforcement learning to adaptively sequence and prioritize agents, enabling flexible and evolvable collective reasoning. Experiments on closed- and open-domain scenarios show that this method achieves superior performance with reduced computational costs. Analyses further reveal that the key improvements consistently stem from the emergence of more compact, cyclic reasoning structures under the orchestrator's evolution.

Large Language Model (LLM) agents equipped with external tools have become increasingly powerful for complex tasks such as web shopping, automated email replies, and financial trading. However, these advancements amplify the risks of adversarial attacks, especially when agents can access sensitive external functionalities. Nevertheless, manipulating LLM agents into performing targeted malicious actions or invoking specific tools remains challenging, as these agents extensively reason or plan before executing final actions. In this work, we present UDora, a unified red teaming framework designed for LLM agents that dynamically hijacks the agent's reasoning processes to compel malicious behavior. Specifically, UDora first generates the model's reasoning trace for the given task, then automatically identifies optimal points within this trace to insert targeted perturbations. The resulting perturbed reasoning is then used as a surrogate response for optimization. By iteratively applying this process, the LLM agent will then be induced to undertake designated malicious actions or to invoke specific malicious tools. Our approach demonstrates superior effectiveness compared to existing methods across three LLM agent datasets. The code is available at https://github.com/AI-secure/UDora.

Recent advances in large language models (LLMs) have led to their popularity across multiple use-cases. However, prompt engineering, the process for optimally utilizing such models, remains approximation-driven and subjective. Most of the current research on prompt engineering focuses on task-specific optimization, while neglecting the behavior of the LLM under consideration during prompt development. This paper introduces MODP -- Multi Objective Directional Prompting, a framework based on two key concepts: 1) multi-objectivity: the importance of considering an LLM's intrinsic behavior as an additional objective in prompt development, and 2) directional prompting: a metrics-driven method for prompt engineering to ensure development of robust and high-precision prompts. We demonstrate the effectiveness of our proposed ideas on a summarization task, using a synthetically created dataset, achieving a 26% performance gain over initial prompts. Finally, we apply MODP to develop prompts for Dell's Next Best Action support tool, which is now in production and is used by more than 10,000 internal support agents and serving millions of customers worldwide.

The performance of LLM-based agents depends not only on the agent itself but also on the quality of the tool interfaces it consumes. While prior work has focused heavily on agent fine-tuning, tool interfaces-including natural language descriptions and parameter schemas-remain largely human-oriented and often become a bottleneck, especially when agents must select from large candidate tool sets. Existing approaches to improving tool interfaces rely on execution traces, which are frequently unavailable in cold-start or privacy-constrained settings, and typically optimize each tool independently, limiting scalability and generalization to unseen tools. We propose Trace-Free+, a curriculum learning framework that progressively transfers supervision from trace-rich settings to trace-free deployment, encouraging the model to abstract reusable interface-usage patterns and tool usage outcomes. To support this approach, we construct a large-scale dataset of high-quality tool interfaces using a structured workflow over a diverse collection of tools. Experiments on StableToolBench and RestBench show consistent gains on unseen tools, strong cross-domain generalization, and robustness as the number of candidate tools scales to over 100, demonstrating that tool interface optimization is a practical and deployable complement to agent fine-tuning.

There are two main barriers to using large language models (LLMs) in clinical reasoning. Firstly, while LLMs exhibit significant promise in Natural Language Processing (NLP) tasks, their performance in complex reasoning and planning falls short of expectations. Secondly, LLMs use uninterpretable methods to make clinical decisions that are fundamentally different from the clinician's cognitive processes. This leads to user distrust. In this paper, we present a multi-agent framework called ArgMed-Agents, which aims to enable LLM-based agents to make explainable clinical decision reasoning through interaction. ArgMed-Agents performs self-argumentation iterations via Argumentation Scheme for Clinical Discussion (a reasoning mechanism for modeling cognitive processes in clinical reasoning), and then constructs the argumentation process as a directed graph representing conflicting relationships. Ultimately, use symbolic solver to identify a series of rational and coherent arguments to support decision. We construct a formal model of ArgMed-Agents and present conjectures for theoretical guarantees. ArgMed-Agents enables LLMs to mimic the process of clinical argumentative reasoning by generating explanations of reasoning in a self-directed manner. The setup experiments show that ArgMed-Agents not only improves accuracy in complex clinical decision reasoning problems compared to other prompt methods, but more importantly, it provides users with decision explanations that increase their confidence.

We introduce the Diffusion Chain of Lateral Thought (DCoLT), a reasoning framework for diffusion language models. DCoLT treats each intermediate step in the reverse diffusion process as a latent "thinking" action and optimizes the entire reasoning trajectory to maximize the reward on the correctness of the final answer with outcome-based Reinforcement Learning (RL). Unlike traditional Chain-of-Thought (CoT) methods that follow a causal, linear thinking process, DCoLT allows bidirectional, non-linear reasoning with no strict rule on grammatical correctness amid its intermediate steps of thought. We implement DCoLT on two representative Diffusion Language Models (DLMs). First, we choose SEDD as a representative continuous-time discrete diffusion model, where its concrete score derives a probabilistic policy to maximize the RL reward over the entire sequence of intermediate diffusion steps. We further consider the discrete-time masked diffusion language model -- LLaDA, and find that the order to predict and unmask tokens plays an essential role to optimize its RL action resulting from the ranking-based Unmasking Policy Module (UPM) defined by the Plackett-Luce model. Experiments on both math and code generation tasks show that using only public data and 16 H800 GPUs, DCoLT-reinforced DLMs outperform other DLMs trained by SFT or RL or even both. Notably, DCoLT-reinforced LLaDA boosts its reasoning accuracy by +9.8%, +5.7%, +11.4%, +19.5% on GSM8K, MATH, MBPP, and HumanEval.

The rapid development of interactive and autonomous AI systems signals our entry into the agentic era. Training and evaluating agents on complex agentic tasks such as software engineering and computer use requires not only efficient model computation but also sophisticated infrastructure capable of coordinating vast agent-environment interactions. However, no open-source infrastructure can effectively support large-scale training and evaluation on such complex agentic tasks. To address this challenge, we present MegaFlow, a large-scale distributed orchestration system that enables efficient scheduling, resource allocation, and fine-grained task management for agent-environment workloads. MegaFlow abstracts agent training infrastructure into three independent services (Model Service, Agent Service, and Environment Service) that interact through unified interfaces, enabling independent scaling and flexible resource allocation across diverse agent-environment configurations. In our agent training deployments, MegaFlow successfully orchestrates tens of thousands of concurrent agent tasks while maintaining high system stability and achieving efficient resource utilization. By enabling such large-scale agent training, MegaFlow addresses a critical infrastructure gap in the emerging agentic AI landscape.

Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlenecked by two critical barriers: unconstrained tool-use governance and poor long-horizon reliability. In dependency-heavy pharmaceutical pipelines, autonomous agents often drift into irreproducible trajectories, where early-stage hallucinations multiplicatively compound into downstream failures. To overcome this, we present Mozi, a dual-layer architecture that bridges the flexibility of generative AI with the deterministic rigor of computational biology. Layer A (Control Plane) establishes a governed supervisor--worker hierarchy that enforces role-based tool isolation, limits execution to constrained action spaces, and drives reflection-based replanning. Layer B (Workflow Plane) operationalizes canonical drug discovery stages -- from Target Identification to Lead Optimization -- as stateful, composable skill graphs. This layer integrates strict data contracts and strategic human-in-the-loop (HITL) checkpoints to safeguard scientific validity at high-uncertainty decision boundaries. Operating on the design principle of ``free-form reasoning for safe tasks, structured execution for long-horizon pipelines,'' Mozi provides built-in robustness mechanisms and trace-level audibility to completely mitigate error accumulation. We evaluate Mozi on PharmaBench, a curated benchmark for biomedical agents, demonstrating superior orchestration accuracy over existing baselines. Furthermore, through end-to-end therapeutic case studies, we demonstrate Mozi's ability to navigate massive chemical spaces, enforce stringent toxicity filters, and generate highly competitive in silico candidates, effectively transforming the LLM from a fragile conversationalist into a reliable, governed co-scientist.

The rapid advancement of large language models (LLMs) has significantly enhanced the capabilities of AI-driven agents across various tasks. However, existing agentic systems, whether based on fixed pipeline algorithms or pre-defined meta-learning frameworks, cannot search the whole agent design space due to the restriction of human-designed components, and thus might miss the globally optimal agent design. In this paper, we introduce G\"odel Agent, a self-evolving framework inspired by the G\"odel machine, enabling agents to recursively improve themselves without relying on predefined routines or fixed optimization algorithms. G\"odel Agent leverages LLMs to dynamically modify its own logic and behavior, guided solely by high-level objectives through prompting. Experimental results on mathematical reasoning and complex agent tasks demonstrate that implementation of G\"odel Agent can achieve continuous self-improvement, surpassing manually crafted agents in performance, efficiency, and generalizability.

Graph Neural Networks (GNNs) are a powerful technique for machine learning on graph-structured data, yet they pose challenges in interpretability. Existing GNN explanation methods usually yield technical outputs, such as subgraphs and feature importance scores, that are difficult for non-data scientists to understand and thereby violate the purpose of explanations. Motivated by recent Explainable AI (XAI) research, we propose GraphXAIN, a method that generates natural language narratives explaining GNN predictions. GraphXAIN is a model- and explainer-agnostic method that uses Large Language Models (LLMs) to translate explanatory subgraphs and feature importance scores into coherent, story-like explanations of GNN decision-making processes. Evaluations on real-world datasets demonstrate GraphXAIN's ability to improve graph explanations. A survey of machine learning researchers and practitioners reveals that GraphXAIN enhances four explainability dimensions: understandability, satisfaction, convincingness, and suitability for communicating model predictions. When combined with another graph explainer method, GraphXAIN further improves trustworthiness, insightfulness, confidence, and usability. Notably, 95% of participants found GraphXAIN to be a valuable addition to the GNN explanation method. By incorporating natural language narratives, our approach serves both graph practitioners and non-expert users by providing clearer and more effective explanations.

Graphical User Interface (GUI) agents aim to automate a wide spectrum of human tasks by emulating user interaction. Despite rapid advancements, current approaches are hindered by several critical challenges: data bottleneck in end-to-end training, high cost of delayed error detection, and risk of contradictory guidance. Inspired by the human cognitive loop of Thinking, Alignment, and Reflection, we present D-Artemis -- a novel deliberative framework in this paper. D-Artemis leverages a fine-grained, app-specific tip retrieval mechanism to inform its decision-making process. It also employs a proactive Pre-execution Alignment stage, where Thought-Action Consistency (TAC) Check module and Action Correction Agent (ACA) work in concert to mitigate the risk of execution failures. A post-execution Status Reflection Agent (SRA) completes the cognitive loop, enabling strategic learning from experience. Crucially, D-Artemis enhances the capabilities of general-purpose Multimodal large language models (MLLMs) for GUI tasks without the need for training on complex trajectory datasets, demonstrating strong generalization. D-Artemis establishes new state-of-the-art (SOTA) results across both major benchmarks, achieving a 75.8% success rate on AndroidWorld and 96.8% on ScreenSpot-V2. Extensive ablation studies further demonstrate the significant contribution of each component to the framework.

Most existing Large Language Model (LLM)-based agent frameworks rely on centralized orchestration, incurring high deployment costs, rigid communication topologies, and limited adaptability. To address these challenges, we introduce Symphony, a decentralized multi-agent system which enables lightweight LLMs on consumer-grade GPUs to coordinate. Symphony introduces three key mechanisms: (1) a decentralized ledger that records capabilities, (2) a Beacon-selection protocol for dynamic task allocation, and (3) weighted result voting based on CoTs. This design forms a privacy-saving, scalable, and fault-tolerant orchestration with low overhead. Empirically, Symphony outperforms existing baselines on reasoning benchmarks, achieving substantial accuracy gains and demonstrating robustness across models of varying capacities.

The recent paradigm shift toward large reasoning models (LRMs) as autonomous agents has intensified the demand for sophisticated, multi-turn tool-use capabilities. Yet, existing datasets and data-generation approaches are limited by static, predefined toolsets that cannot scale to the complexity of open-ended human-agent collaboration. To address this, we initially developed a framework for automated task-oriented multi-turn dialogue generation at scale, utilizing an LRM-based simulator to dynamically generate high-value, domain-specific tools to solve specified tasks. However, we observe that a purely task-oriented design often results in "solely task-solving" trajectories, where the agent completes the objective with minimal interaction, failing to generate the high turn-count conversations seen in realistic scenarios. To bridge this gap, we shift toward a user-oriented simulation paradigm. By decoupling task generation from a dedicated user simulator that mimics human behavioral rules - such as incremental request-making and turn-by-turn feedback - we facilitate more authentic, extended multi-turn dialogues that reflect the iterative nature of real-world problem solving. Our generation pipeline operates as a versatile, plug-and-play module capable of initiating generation from any state, ensuring high scalability in producing extended tool-use data. Furthermore, by facilitating multiple task completions within a single trajectory, it yields a high-density dataset that reflects the multifaceted demands of real-world human-agent interaction.

Recent advances in large language models (LLMs) and multi-agent systems have demonstrated remarkable capabilities in complex problem-solving tasks such as deep research, vibe coding, and mathematical reasoning. However, most existing multi-agent systems are built upon manual prompt/workflow engineering with sophisticated agent frameworks, making them computationally inefficient, less capable, and can not benefit from data-centric learning. In this work, we introduce Chain-of-Agents (CoA), a novel paradigm of LLM reasoning that enables native end-to-end complex problem-solving in the same way as a multi-agent system (i.e., multi-turn problem solving with multiple tools and multiple agents) within one model. In chain-of-agents problem-solving, the model dynamically activates different tool agents and role-playing agents to simulate multi-agent collaboration in an end-to-end fashion. To elicit end-to-end chain-of-agents problem-solving abilities in LLMs, we introduce a multi-agent distillation framework to distill state-of-the-art multi-agent systems into chain-of-agents trajectories for agentic supervised fine-tuning. We then use agentic reinforcement learning on verifiable agentic tasks to further improve the models' capabilities on chain-of-agents problem solving. We call the resulting models Agent Foundation Models (AFMs). Our empirical studies demonstrate that AFM establishes new state-of-the-art performance across diverse benchmarks in both web agent and code agent settings. We make the entire research, including the model weights, code for training and evaluation, and the training data, fully open-sourced, which offers a solid starting point for future research on agent models and agentic RL.

An accurate differential diagnosis (DDx) is a cornerstone of medical care, often reached through an iterative process of interpretation that combines clinical history, physical examination, investigations and procedures. Interactive interfaces powered by Large Language Models (LLMs) present new opportunities to both assist and automate aspects of this process. In this study, we introduce an LLM optimized for diagnostic reasoning, and evaluate its ability to generate a DDx alone or as an aid to clinicians. 20 clinicians evaluated 302 challenging, real-world medical cases sourced from the New England Journal of Medicine (NEJM) case reports. Each case report was read by two clinicians, who were randomized to one of two assistive conditions: either assistance from search engines and standard medical resources, or LLM assistance in addition to these tools. All clinicians provided a baseline, unassisted DDx prior to using the respective assistive tools. Our LLM for DDx exhibited standalone performance that exceeded that of unassisted clinicians (top-10 accuracy 59.1% vs 33.6%, [p = 0.04]). Comparing the two assisted study arms, the DDx quality score was higher for clinicians assisted by our LLM (top-10 accuracy 51.7%) compared to clinicians without its assistance (36.1%) (McNemar's Test: 45.7, p < 0.01) and clinicians with search (44.4%) (4.75, p = 0.03). Further, clinicians assisted by our LLM arrived at more comprehensive differential lists than those without its assistance. Our study suggests that our LLM for DDx has potential to improve clinicians' diagnostic reasoning and accuracy in challenging cases, meriting further real-world evaluation for its ability to empower physicians and widen patients' access to specialist-level expertise.

Large Language Models (LLMs) have gained widespread popularity across diverse domains involving text generation, summarization, and various natural language processing tasks. Despite their inherent limitations, LLM-based designs have shown promising capabilities in planning and navigating open-world scenarios. This paper introduces a novel application of pre-trained LLMs as agents within cybersecurity network environments, focusing on their utility for sequential decision-making processes. We present an approach wherein pre-trained LLMs are leveraged as attacking agents in two reinforcement learning environments. Our proposed agents demonstrate similar or better performance against state-of-the-art agents trained for thousands of episodes in most scenarios and configurations. In addition, the best LLM agents perform similarly to human testers of the environment without any additional training process. This design highlights the potential of LLMs to efficiently address complex decision-making tasks within cybersecurity. Furthermore, we introduce a new network security environment named NetSecGame. The environment is designed to eventually support complex multi-agent scenarios within the network security domain. The proposed environment mimics real network attacks and is designed to be highly modular and adaptable for various scenarios.

Multi-agent LLM systems enable advanced reasoning and tool use via role specialization, yet reliable reinforcement learning (RL) post-training for such systems remains difficult. In this work, we theoretically pinpoint a key reason for training instability when extending group-based RL to multi-agent LLM systems. We show that under GRPO-style optimization, a global normalization baseline may deviate from diverse agents' reward distributions, which ultimately leads to gradient-norm instability. Based on this finding, we propose Dr. MAS, a simple and stable RL training recipe for multi-agent LLM systems. Dr. MAS uses an agent-wise remedy: normalizing advantages per agent using each agent's own reward statistics, which calibrates gradient scales and dramatically stabilizes training, both theoretically and empirically. Beyond the algorithm, Dr. MAS provides an end-to-end RL training framework for multi-agent LLM systems, supporting scalable orchestration, flexible per-agent LLM serving and optimization configs, and shared resource scheduling of LLM actor backends. We evaluate Dr. MAS on multi-agent math reasoning and multi-turn search benchmarks using Qwen2.5 and Qwen3 series models. Dr. MAS achieves clear gains over vanilla GRPO (e.g., +5.6\% avg@16 and +4.6\% pass@16 on math, and +15.2\% avg@16 and +13.1\% pass@16 on search) while largely eliminating gradient spikes. Moreover, it remains highly effective under heterogeneous agent-model assignments while improving efficiency.

Transfer learning has recently become the dominant paradigm of machine learning. Pre-trained models fine-tuned for downstream tasks achieve better performance with fewer labelled examples. Nonetheless, it remains unclear how to develop models that specialise towards multiple tasks without incurring negative interference and that generalise systematically to non-identically distributed tasks. Modular deep learning has emerged as a promising solution to these challenges. In this framework, units of computation are often implemented as autonomous parameter-efficient modules. Information is conditionally routed to a subset of modules and subsequently aggregated. These properties enable positive transfer and systematic generalisation by separating computation from routing and updating modules locally. We offer a survey of modular architectures, providing a unified view over several threads of research that evolved independently in the scientific literature. Moreover, we explore various additional purposes of modularity, including scaling language models, causal inference, programme induction, and planning in reinforcement learning. Finally, we report various concrete applications where modularity has been successfully deployed such as cross-lingual and cross-modal knowledge transfer. Related talks and projects to this survey, are available at https://www.modulardeeplearning.com/.

This technical white paper introduces the Interactive Agents Call Tree (IACT), a computational model designed to address the limitations of static, hard-coded agent workflows. Unlike traditional systems that require pre-defined graphs or specialized programming, IACT operates as a general-purpose autonomous system driven purely by user dialogue. Given a high-level objective, the system autonomously grows a dynamic, recursive agent topology incrementally tailored to the problem's structure. This allows it to scale its organizational complexity to match open-ended tasks. To mitigate the error propagation inherent in unidirectional function calls, IACT introduces interactional redundancy by replacing rigid invocations with bidirectional, stateful dialogues. This mechanism enables runtime error correction and ambiguity resolution. We describe the architecture, design principles, and practical lessons behind the production deployment of this model in the kragent.ai system, presenting qualitative evidence from real-world workflows rather than exhaustive benchmark results.

Token-based world models emerged as a promising modular framework, modeling dynamics over token streams while optimizing tokenization separately. While successful in visual environments with discrete actions (e.g., Atari games), their broader applicability remains uncertain. In this paper, we introduce M^{3}, a modular world model that extends this framework, enabling flexible combinations of observation and action modalities through independent modality-specific components. M^{3} integrates several improvements from existing literature to enhance agent performance. Through extensive empirical evaluation across diverse benchmarks, M^{3} achieves state-of-the-art sample efficiency for planning-free world models. Notably, among these methods, it is the first to reach a human-level median score on Atari 100K, with superhuman performance on 13 games. We https://github.com/leor-c/M3{open-source our code and weights}.

Explainable AI (XAI) aims to provide insight into opaque model reasoning to humans and as such is an interdisciplinary field by nature. In this paper, we interviewed 10 practitioners to understand the possible usability of training data attribution (TDA) explanations and to explore the design space of such an approach. We confirmed that training data quality is often the most important factor for high model performance in practice and model developers mainly rely on their own experience to curate data. End-users expect explanations to enhance their interaction with the model and do not necessarily prioritise but are open to training data as a means of explanation. Within our participants, we found that TDA explanations are not well-known and therefore not used. We urge the community to focus on the utility of TDA techniques from the human-machine collaboration perspective and broaden the TDA evaluation to reflect common use cases in practice.

LLM agents now perform strongly in software engineering, deep research, GUI automation, and various other applications, while recent agent scaffolds and models are increasingly integrating these capabilities into unified systems. Yet, most evaluations still test these capabilities in isolation, which leaves a gap for more diverse use cases that require agents to combine different capabilities. We introduce CocoaBench, a benchmark for unified digital agents built from human-designed, long-horizon tasks that require flexible composition of vision, search, and coding. Tasks are specified only by an instruction and an automatic evaluation function over the final output, enabling reliable and scalable evaluation across diverse agent infrastructures. We also present CocoaAgent, a lightweight shared scaffold for controlled comparison across model backbones. Experiments show that current agents remain far from reliable on CocoaBench, with the best evaluated system achieving only 45.1% success rate. Our analysis further points to substantial room for improvement in reasoning and planning, tool use and execution, and visual grounding.

Large Language Models (LLMs) have significantly impacted nearly every domain of human knowledge. However, the explainability of these models esp. to laypersons, which are crucial for instilling trust, have been examined through various skeptical lenses. In this paper, we introduce a novel notion of LLM explainability to laypersons, termed ReQuesting, across three high-priority application domains -- law, health and finance, using multiple state-of-the-art LLMs. The proposed notion exhibits faithful generation of explainable layman-understandable algorithms on multiple tasks through high degree of reproducibility. Furthermore, we observe a notable alignment of the explainable algorithms with intrinsic reasoning of the LLMs.

Modern AI agents, driven by advances in large foundation models, promise to enhance our productivity and transform our lives by augmenting our knowledge and capabilities. To achieve this vision, AI agents must effectively plan, perform multi-step reasoning and actions, respond to novel observations, and recover from errors, to successfully complete complex tasks across a wide range of scenarios. In this work, we introduce Magentic-One, a high-performing open-source agentic system for solving such tasks. Magentic-One uses a multi-agent architecture where a lead agent, the Orchestrator, plans, tracks progress, and re-plans to recover from errors. Throughout task execution, the Orchestrator directs other specialized agents to perform tasks as needed, such as operating a web browser, navigating local files, or writing and executing Python code. We show that Magentic-One achieves statistically competitive performance to the state-of-the-art on three diverse and challenging agentic benchmarks: GAIA, AssistantBench, and WebArena. Magentic-One achieves these results without modification to core agent capabilities or to how they collaborate, demonstrating progress towards generalist agentic systems. Moreover, Magentic-One's modular design allows agents to be added or removed from the team without additional prompt tuning or training, easing development and making it extensible to future scenarios. We provide an open-source implementation of Magentic-One, and we include AutoGenBench, a standalone tool for agentic evaluation. AutoGenBench provides built-in controls for repetition and isolation to run agentic benchmarks in a rigorous and contained manner -- which is important when agents' actions have side-effects. Magentic-One, AutoGenBench and detailed empirical performance evaluations of Magentic-One, including ablations and error analysis are available at https://aka.ms/magentic-one

A wide range of real-world applications is characterized by their symbolic nature, necessitating a strong capability for symbolic reasoning. This paper investigates the potential application of Large Language Models (LLMs) as symbolic reasoners. We focus on text-based games, significant benchmarks for agents with natural language capabilities, particularly in symbolic tasks like math, map reading, sorting, and applying common sense in text-based worlds. To facilitate these agents, we propose an LLM agent designed to tackle symbolic challenges and achieve in-game objectives. We begin by initializing the LLM agent and informing it of its role. The agent then receives observations and a set of valid actions from the text-based games, along with a specific symbolic module. With these inputs, the LLM agent chooses an action and interacts with the game environments. Our experimental results demonstrate that our method significantly enhances the capability of LLMs as automated agents for symbolic reasoning, and our LLM agent is effective in text-based games involving symbolic tasks, achieving an average performance of 88% across all tasks.

With the rapid rise of large language models (LLMs), phone automation has undergone transformative changes. This paper systematically reviews LLM-driven phone GUI agents, highlighting their evolution from script-based automation to intelligent, adaptive systems. We first contextualize key challenges, (i) limited generality, (ii) high maintenance overhead, and (iii) weak intent comprehension, and show how LLMs address these issues through advanced language understanding, multimodal perception, and robust decision-making. We then propose a taxonomy covering fundamental agent frameworks (single-agent, multi-agent, plan-then-act), modeling approaches (prompt engineering, training-based), and essential datasets and benchmarks. Furthermore, we detail task-specific architectures, supervised fine-tuning, and reinforcement learning strategies that bridge user intent and GUI operations. Finally, we discuss open challenges such as dataset diversity, on-device deployment efficiency, user-centric adaptation, and security concerns, offering forward-looking insights into this rapidly evolving field. By providing a structured overview and identifying pressing research gaps, this paper serves as a definitive reference for researchers and practitioners seeking to harness LLMs in designing scalable, user-friendly phone GUI agents.

Optimization problems are pervasive across various sectors, from manufacturing and distribution to healthcare. However, most such problems are still solved heuristically by hand rather than optimally by state-of-the-art solvers, as the expertise required to formulate and solve these problems limits the widespread adoption of optimization tools and techniques. We introduce OptiMUS, a Large Language Model (LLM)-based agent designed to formulate and solve MILP problems from their natural language descriptions. OptiMUS is capable of developing mathematical models, writing and debugging solver code, developing tests, and checking the validity of generated solutions. To benchmark our agent, we present NLP4LP, a novel dataset of linear programming (LP) and mixed integer linear programming (MILP) problems. Our experiments demonstrate that OptiMUS solves nearly twice as many problems as a basic LLM prompting strategy. OptiMUS code and NLP4LP dataset are available at https://github.com/teshnizi/OptiMUS{https://github.com/teshnizi/OptiMUS}

Recently, with the development of tool-calling capabilities in large language models (LLMs), these models have demonstrated significant potential for automating electronic design automation (EDA) flows by interacting with EDA tool APIs via EDA scripts. However, considering the limited understanding of EDA tools, LLMs face challenges in practical scenarios where diverse interfaces of EDA tools exist across different platforms. Additionally, EDA flow automation often involves intricate, long-chain tool-calling processes, increasing the likelihood of errors in intermediate steps. Any errors will lead to the instability and failure of EDA flow automation. To address these challenges, we introduce EDAid, a multi-agent collaboration system where multiple agents harboring divergent thoughts converge towards a common goal, ensuring reliable and successful EDA flow automation. Specifically, each agent is controlled by ChipLlama models, which are expert LLMs fine-tuned for EDA flow automation. Our experiments demonstrate the state-of-the-art (SOTA) performance of our ChipLlama models and validate the effectiveness of our EDAid in the automation of complex EDA flows, showcasing superior performance compared to single-agent systems.

Traditional software relies on contracts -- APIs, type systems, assertions -- to specify and enforce correct behavior. AI agents, by contrast, operate on prompts and natural language instructions with no formal behavioral specification. This gap is the root cause of drift, governance failures, and frequent project failures in agentic AI deployments. We introduce Agent Behavioral Contracts (ABC), a formal framework that brings Design-by-Contract principles to autonomous AI agents. An ABC contract C = (P, I, G, R) specifies Preconditions, Invariants, Governance policies, and Recovery mechanisms as first-class, runtime-enforceable components. We define (p, delta, k)-satisfaction -- a probabilistic notion of contract compliance that accounts for LLM non-determinism and recovery -- and prove a Drift Bounds Theorem showing that contracts with recovery rate gamma > alpha (the natural drift rate) bound behavioral drift to D* = alpha/gamma in expectation, with Gaussian concentration in the stochastic setting. We establish sufficient conditions for safe contract composition in multi-agent chains and derive probabilistic degradation bounds. We implement ABC in AgentAssert, a runtime enforcement library, and evaluate on AgentContract-Bench, a benchmark of 200 scenarios across 7 models from 6 vendors. Results across 1,980 sessions show that contracted agents detect 5.2-6.8 soft violations per session that uncontracted baselines miss entirely (p < 0.0001, Cohen's d = 6.7-33.8), achieve 88-100% hard constraint compliance, and bound behavioral drift to D* < 0.27 across extended sessions, with 100% recovery for frontier models and 17-100% across all models, at overhead < 10 ms per action.

Despite the significant strides made by generative AI in just a few short years, its future progress is constrained by the challenge of building modular and robust systems. This capability has been a cornerstone of past technological revolutions, which relied on combining components to create increasingly sophisticated and reliable systems. Cars, airplanes, computers, and software consist of components-such as engines, wheels, CPUs, and libraries-that can be assembled, debugged, and replaced. A key tool for building such reliable and modular systems is specification: the precise description of the expected behavior, inputs, and outputs of each component. However, the generality of LLMs and the inherent ambiguity of natural language make defining specifications for LLM-based components (e.g., agents) both a challenging and urgent problem. In this paper, we discuss the progress the field has made so far-through advances like structured outputs, process supervision, and test-time compute-and outline several future directions for research to enable the development of modular and reliable LLM-based systems through improved specifications.

Large language models (LLMs) have shown remarkable potential in various domains, but they often lack the ability to access and reason over domain-specific knowledge and tools. In this paper, we introduced CACTUS (Chemistry Agent Connecting Tool-Usage to Science), an LLM-based agent that integrates cheminformatics tools to enable advanced reasoning and problem-solving in chemistry and molecular discovery. We evaluate the performance of CACTUS using a diverse set of open-source LLMs, including Gemma-7b, Falcon-7b, MPT-7b, Llama2-7b, and Mistral-7b, on a benchmark of thousands of chemistry questions. Our results demonstrate that CACTUS significantly outperforms baseline LLMs, with the Gemma-7b and Mistral-7b models achieving the highest accuracy regardless of the prompting strategy used. Moreover, we explore the impact of domain-specific prompting and hardware configurations on model performance, highlighting the importance of prompt engineering and the potential for deploying smaller models on consumer-grade hardware without significant loss in accuracy. By combining the cognitive capabilities of open-source LLMs with domain-specific tools, CACTUS can assist researchers in tasks such as molecular property prediction, similarity searching, and drug-likeness assessment. Furthermore, CACTUS represents a significant milestone in the field of cheminformatics, offering an adaptable tool for researchers engaged in chemistry and molecular discovery. By integrating the strengths of open-source LLMs with domain-specific tools, CACTUS has the potential to accelerate scientific advancement and unlock new frontiers in the exploration of novel, effective, and safe therapeutic candidates, catalysts, and materials. Moreover, CACTUS's ability to integrate with automated experimentation platforms and make data-driven decisions in real time opens up new possibilities for autonomous discovery.

The dream to create AI assistants as capable and versatile as the fictional J.A.R.V.I.S from Iron Man has long captivated imaginations. With the evolution of (multi-modal) large language models ((M)LLMs), this dream is closer to reality, as (M)LLM-based Agents using computing devices (e.g., computers and mobile phones) by operating within the environments and interfaces (e.g., Graphical User Interface (GUI)) provided by operating systems (OS) to automate tasks have significantly advanced. This paper presents a comprehensive survey of these advanced agents, designated as OS Agents. We begin by elucidating the fundamentals of OS Agents, exploring their key components including the environment, observation space, and action space, and outlining essential capabilities such as understanding, planning, and grounding. We then examine methodologies for constructing OS Agents, focusing on domain-specific foundation models and agent frameworks. A detailed review of evaluation protocols and benchmarks highlights how OS Agents are assessed across diverse tasks. Finally, we discuss current challenges and identify promising directions for future research, including safety and privacy, personalization and self-evolution. This survey aims to consolidate the state of OS Agents research, providing insights to guide both academic inquiry and industrial development. An open-source GitHub repository is maintained as a dynamic resource to foster further innovation in this field. We present a 9-page version of our work, accepted by ACL 2025, to provide a concise overview to the domain.

The field of explainable AI (XAI) has quickly become a thriving and prolific community. However, a silent, recurrent and acknowledged issue in this area is the lack of consensus regarding its terminology. In particular, each new contribution seems to rely on its own (and often intuitive) version of terms like "explanation" and "interpretation". Such disarray encumbers the consolidation of advances in the field towards the fulfillment of scientific and regulatory demands e.g., when comparing methods or establishing their compliance with respect to biases and fairness constraints. We propose a theoretical framework that not only provides concrete definitions for these terms, but it also outlines all steps necessary to produce explanations and interpretations. The framework also allows for existing contributions to be re-contextualized such that their scope can be measured, thus making them comparable to other methods. We show that this framework is compliant with desiderata on explanations, on interpretability and on evaluation metrics. We present a use-case showing how the framework can be used to compare LIME, SHAP and MDNet, establishing their advantages and shortcomings. Finally, we discuss relevant trends in XAI as well as recommendations for future work, all from the standpoint of our framework.

Large Language Model (LLM) agents are autonomous systems powered by LLMs, capable of reasoning and planning to solve problems by leveraging a set of tools. However, the integration of multi-tool capabilities in LLM agents introduces challenges in securely managing tools, ensuring their compatibility, handling dependency relationships, and protecting control flows within LLM agent workflows. In this paper, we present the first systematic security analysis of task control flows in multi-tool-enabled LLM agents. We identify a novel threat, Cross-Tool Harvesting and Polluting (XTHP), which includes multiple attack vectors to first hijack the normal control flows of agent tasks, and then collect and pollute confidential or private information within LLM agent systems. To understand the impact of this threat, we developed Chord, a dynamic scanning tool designed to automatically detect real-world agent tools susceptible to XTHP attacks. Our evaluation of 66 real-world tools from the repositories of two major LLM agent development frameworks, LangChain and LlamaIndex, revealed a significant security concern: 75\% are vulnerable to XTHP attacks, highlighting the prevalence of this threat.

While Mechanistic Interpretability has identified interpretable circuits in LLMs, their causal origins in training data remain elusive. We introduce Mechanistic Data Attribution (MDA), a scalable framework that employs Influence Functions to trace interpretable units back to specific training samples. Through extensive experiments on the Pythia family, we causally validate that targeted intervention--removing or augmenting a small fraction of high-influence samples--significantly modulates the emergence of interpretable heads, whereas random interventions show no effect. Our analysis reveals that repetitive structural data (e.g., LaTeX, XML) acts as a mechanistic catalyst. Furthermore, we observe that interventions targeting induction head formation induce a concurrent change in the model's in-context learning (ICL) capability. This provides direct causal evidence for the long-standing hypothesis regarding the functional link between induction heads and ICL. Finally, we propose a mechanistic data augmentation pipeline that consistently accelerates circuit convergence across model scales, providing a principled methodology for steering the developmental trajectories of LLMs.

Effective prompt design is essential for improving the planning capabilities of large language model (LLM)-driven agents. However, existing structured prompting strategies are typically limited to single-agent, plan-only settings, and often evaluate performance solely based on task accuracy - overlooking critical factors such as token efficiency, modularity, and scalability in multi-agent environments. To address these limitations, we introduce CodeAgents, a prompting framework that codifies multi-agent reasoning and enables structured, token-efficient planning in multi-agent systems. In CodeAgents, all components of agent interaction - Task, Plan, Feedback, system roles, and external tool invocations - are codified into modular pseudocode enriched with control structures (e.g., loops, conditionals), boolean logic, and typed variables. This design transforms loosely connected agent plans into cohesive, interpretable, and verifiable multi-agent reasoning programs. We evaluate the proposed framework across three diverse benchmarks - GAIA, HotpotQA, and VirtualHome - using a range of representative LLMs. Results show consistent improvements in planning performance, with absolute gains of 3-36 percentage points over natural language prompting baselines. On VirtualHome, our method achieves a new state-of-the-art success rate of 56%. In addition, our approach reduces input and output token usage by 55-87% and 41-70%, respectively, underscoring the importance of token-aware evaluation metrics in the development of scalable multi-agent LLM systems. The code and resources are available at: https://anonymous.4open.science/r/CodifyingAgent-5A86