LLM-planning - 2025-09-03

Benchmarking GPT-5 in Radiation Oncology: Measurable Gains, but Persistent Need for Expert Oversight

Authors:Ugur Dinc, Jibak Sarkar, Philipp Schubert, Sabine Semrau, Thomas Weissmann, Andre Karius, Johann Brand, Bernd-Niklas Axer, Ahmed Gomaa, Pluvio Stephan, Ishita Sheth, Sogand Beirami, Annette Schwarz, Udo Gaipl, Benjamin Frey, Christoph Bert, Stefanie Corradini, Rainer Fietkau, Florian Putz
Date:2025-08-29 16:55:25

Introduction: Large language models (LLM) have shown great potential in clinical decision support. GPT-5 is a novel LLM system that has been specifically marketed towards oncology use. Methods: Performance was assessed using two complementary benchmarks: (i) the ACR Radiation Oncology In-Training Examination (TXIT, 2021), comprising 300 multiple-choice items, and (ii) a curated set of 60 authentic radiation oncologic vignettes representing diverse disease sites and treatment indications. For the vignette evaluation, GPT-5 was instructed to generate concise therapeutic plans. Four board-certified radiation oncologists rated correctness, comprehensiveness, and hallucinations. Inter-rater reliability was quantified using Fleiss' \k{appa}. Results: On the TXIT benchmark, GPT-5 achieved a mean accuracy of 92.8%, outperforming GPT-4 (78.8%) and GPT-3.5 (62.1%). Domain-specific gains were most pronounced in Dose and Diagnosis. In the vignette evaluation, GPT-5's treatment recommendations were rated highly for correctness (mean 3.24/4, 95% CI: 3.11-3.38) and comprehensiveness (3.59/4, 95% CI: 3.49-3.69). Hallucinations were rare with no case reaching majority consensus for their presence. Inter-rater agreement was low (Fleiss' \k{appa} 0.083 for correctness), reflecting inherent variability in clinical judgment. Errors clustered in complex scenarios requiring precise trial knowledge or detailed clinical adaptation. Discussion: GPT-5 clearly outperformed prior model variants on the radiation oncology multiple-choice benchmark. Although GPT-5 exhibited favorable performance in generating real-world radiation oncology treatment recommendations, correctness ratings indicate room for further improvement. While hallucinations were infrequent, the presence of substantive errors underscores that GPT-5-generated recommendations require rigorous expert oversight before clinical implementation.

Integrating Large Language Models with Network Optimization for Interactive and Explainable Supply Chain Planning: A Real-World Case Study

Authors:Saravanan Venkatachalam
Date:2025-08-29 13:34:55

This paper presents an integrated framework that combines traditional network optimization models with large language models (LLMs) to deliver interactive, explainable, and role-aware decision support for supply chain planning. The proposed system bridges the gap between complex operations research outputs and business stakeholder understanding by generating natural language summaries, contextual visualizations, and tailored key performance indicators (KPIs). The core optimization model addresses tactical inventory redistribution across a network of distribution centers for multi-period and multi-item, using a mixed-integer formulation. The technical architecture incorporates AI agents, RESTful APIs, and a dynamic user interface to support real-time interaction, configuration updates, and simulation-based insights. A case study demonstrates how the system improves planning outcomes by preventing stockouts, reducing costs, and maintaining service levels. Future extensions include integrating private LLMs, transfer learning, reinforcement learning, and Bayesian neural networks to enhance explainability, adaptability, and real-time decision-making.

ProactiveEval: A Unified Evaluation Framework for Proactive Dialogue Agents

Authors:Tianjian Liu, Fanqi Wan, Jiajian Guo, Xiaojun Quan
Date:2025-08-28 16:26:44

Proactive dialogue has emerged as a critical and challenging research problem in advancing large language models (LLMs). Existing works predominantly focus on domain-specific or task-oriented scenarios, which leads to fragmented evaluations and limits the comprehensive exploration of models' proactive conversation abilities. In this work, we propose ProactiveEval, a unified framework designed for evaluating proactive dialogue capabilities of LLMs. This framework decomposes proactive dialogue into target planning and dialogue guidance, establishing evaluation metrics across various domains. Moreover, it also enables the automatic generation of diverse and challenging evaluation data. Based on the proposed framework, we develop 328 evaluation environments spanning 6 distinct domains. Through experiments with 22 different types of LLMs, we show that DeepSeek-R1 and Claude-3.7-Sonnet exhibit exceptional performance on target planning and dialogue guidance tasks, respectively. Finally, we investigate how reasoning capabilities influence proactive behaviors and discuss their implications for future model development.

How Can Input Reformulation Improve Tool Usage Accuracy in a Complex Dynamic Environment? A Study on $τ$-bench

Authors:Venkatesh Mishra, Amir Saeidi, Satyam Raj, Mutsumi Nakamura, Jayanth Srinivasa, Gaowen Liu, Ali Payani, Chitta Baral
Date:2025-08-28 15:57:33

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.

Research Challenges in Relational Database Management Systems for LLM Queries

Authors:Kerem Akillioglu, Anurag Chakraborty, Sairaj Voruganti, M. Tamer Özsu
Date:2025-08-28 15:41:49

Large language models (LLMs) have become essential for applications such as text summarization, sentiment analysis, and automated question-answering. Recently, LLMs have also been integrated into relational database management systems to enhance querying and support advanced data processing. Companies such as Amazon, Databricks, Google, and Snowflake offer LLM invocation directly within SQL, denoted as LLM queries, to boost data insights. However, open-source solutions currently have limited functionality and poor performance. In this work, we present an early exploration of two open-source systems and one enterprise platform, using five representative queries to expose functional, performance, and scalability limits in today's SQL-invoked LLM integrations. We identify three main issues: enforcing structured outputs, optimizing resource utilization, and improving query planning. We implemented initial solutions and observed improvements in accommodating LLM powered SQL queries. These early gains demonstrate that tighter integration of LLM+DBMS is the key to scalable and efficient processing of LLM queries.

MCP-Bench: Benchmarking Tool-Using LLM Agents with Complex Real-World Tasks via MCP Servers

Authors:Zhenting Wang, Qi Chang, Hemani Patel, Shashank Biju, Cheng-En Wu, Quan Liu, Aolin Ding, Alireza Rezazadeh, Ankit Shah, Yujia Bao, Eugene Siow
Date:2025-08-28 05:58:57

We introduce MCP-Bench, a benchmark for evaluating large language models (LLMs) on realistic, multi-step tasks that demand tool use, cross-tool coordination, precise parameter control, and planning/reasoning for solving tasks. Built on the Model Context Protocol (MCP), MCP-Bench connects LLMs to 28 representative live MCP servers spanning 250 tools across domains such as finance, traveling, scientific computing, and academic search. Unlike prior API-based benchmarks, each MCP server provides a set of complementary tools designed to work together, enabling the construction of authentic, multi-step tasks with rich input-output coupling. Tasks in MCP-Bench test agents' ability to retrieve relevant tools from fuzzy instructions without explicit tool names, plan multi-hop execution trajectories for complex objectives, ground responses in intermediate tool outputs, and orchestrate cross-domain workflows - capabilities not adequately evaluated by existing benchmarks that rely on explicit tool specifications, shallow few-step workflows, and isolated domain operations. We propose a multi-faceted evaluation framework covering tool-level schema understanding and usage, trajectory-level planning, and task completion. Experiments on 20 advanced LLMs reveal persistent challenges in MCP-Bench. Code and data: https://github.com/Accenture/mcp-bench.

Ransomware 3.0: Self-Composing and LLM-Orchestrated

Authors:Md Raz, Meet Udeshi, P. V. Sai Charan, Prashanth Krishnamurthy, Farshad Khorrami, Ramesh Karri
Date:2025-08-28 05:46:03

Using automated reasoning, code synthesis, and contextual decision-making, we introduce a new threat that exploits large language models (LLMs) to autonomously plan, adapt, and execute the ransomware attack lifecycle. Ransomware 3.0 represents the first threat model and research prototype of LLM-orchestrated ransomware. Unlike conventional malware, the prototype only requires natural language prompts embedded in the binary; malicious code is synthesized dynamically by the LLM at runtime, yielding polymorphic variants that adapt to the execution environment. The system performs reconnaissance, payload generation, and personalized extortion, in a closed-loop attack campaign without human involvement. We evaluate this threat across personal, enterprise, and embedded environments using a phase-centric methodology that measures quantitative fidelity and qualitative coherence in each attack phase. We show that open source LLMs can generate functional ransomware components and sustain closed-loop execution across diverse environments. Finally, we present behavioral signals and multi-level telemetry of Ransomware 3.0 through a case study to motivate future development of better defenses and policy enforcements to address novel AI-enabled ransomware attacks.

AI-SearchPlanner: Modular Agentic Search via Pareto-Optimal Multi-Objective Reinforcement Learning

Authors:Lang Mei, Zhihan Yang, Chong Chen
Date:2025-08-28 02:31:17

Recent studies have explored integrating Large Language Models (LLMs) with search engines to leverage both the LLMs' internal pre-trained knowledge and external information. Specially, reinforcement learning (RL) has emerged as a promising paradigm for enhancing LLM reasoning through multi-turn interactions with search engines. However, existing RL-based search agents rely on a single LLM to handle both search planning and question-answering (QA) tasks in an end-to-end manner, which limits their ability to optimize both capabilities simultaneously. In practice, sophisticated AI search systems often employ a large, frozen LLM (e.g., GPT-4, DeepSeek-R1) to ensure high-quality QA. Thus, a more effective and efficient approach is to utilize a small, trainable LLM dedicated to search planning. In this paper, we propose \textbf{AI-SearchPlanner}, a novel reinforcement learning framework designed to enhance the performance of frozen QA models by focusing on search planning. Specifically, our approach introduces three key innovations: 1) Decoupling the Architecture of the Search Planner and Generator, 2) Dual-Reward Alignment for Search Planning, and 3) Pareto Optimization of Planning Utility and Cost, to achieve the objectives. Extensive experiments on real-world datasets demonstrate that AI SearchPlanner outperforms existing RL-based search agents in both effectiveness and efficiency, while exhibiting strong generalization capabilities across diverse frozen QA models and data domains.

CataractSurg-80K: Knowledge-Driven Benchmarking for Structured Reasoning in Ophthalmic Surgery Planning

Authors:Yang Meng, Zewen Pan, Yandi Lu, Ruobing Huang, Yanfeng Liao, Jiarui Yang
Date:2025-08-27 16:16:47

Cataract surgery remains one of the most widely performed and effective procedures for vision restoration. Effective surgical planning requires integrating diverse clinical examinations for patient assessment, intraocular lens (IOL) selection, and risk evaluation. Large language models (LLMs) have shown promise in supporting clinical decision-making. However, existing LLMs often lack the domain-specific expertise to interpret heterogeneous ophthalmic data and provide actionable surgical plans. To enhance the model's ability to interpret heterogeneous ophthalmic reports, we propose a knowledge-driven Multi-Agent System (MAS), where each agent simulates the reasoning process of specialist ophthalmologists, converting raw clinical inputs into structured, actionable summaries in both training and deployment stages. Building on MAS, we introduce CataractSurg-80K, the first large-scale benchmark for cataract surgery planning that incorporates structured clinical reasoning. Each case is annotated with diagnostic questions, expert reasoning chains, and structured surgical recommendations. We further introduce Qwen-CSP, a domain-specialized model built on Qwen-4B, fine-tuned through a multi-stage process tailored for surgical planning. Comprehensive experiments show that Qwen-CSP outperforms strong general-purpose LLMs across multiple metrics. Our work delivers a high-quality dataset, a rigorous benchmark, and a domain-adapted LLM to facilitate future research in medical AI reasoning and decision support.

Encouraging Good Processes Without the Need for Good Answers: Reinforcement Learning for LLM Agent Planning

Authors:Zhiwei Li, Yong Hu, Wenqing Wang
Date:2025-08-27 06:19:50

The functionality of Large Language Model (LLM) agents is primarily determined by two capabilities: action planning and answer summarization. The former, action planning, is the core capability that dictates an agent's performance. However, prevailing training paradigms employ end-to-end, multi-objective optimization that jointly trains both capabilities. This paradigm faces two critical challenges: imbalanced optimization objective allocation and scarcity of verifiable data, making it difficult to enhance the agent's planning capability. To address these challenges, we propose Reinforcement Learning with Tool-use Rewards (RLTR), a novel framework that decouples the training process to enable a focused, single-objective optimization of the planning module. Crucially, RLTR introduces a reward signal based on tool-use completeness to directly evaluate the quality of tool invocation sequences. This method offers a more direct and reliable training signal than assessing the final response content, thereby obviating the need for verifiable data. Our experiments demonstrate that RLTR achieves an 8%-12% improvement in planning performance compared to end-to-end baselines. Moreover, this enhanced planning capability, in turn, translates to a 5%-6% increase in the final response quality of the overall agent system.

QAgent: An LLM-based Multi-Agent System for Autonomous OpenQASM programming

Authors:Zhenxiao Fu, Fan Chen, Lei Jiang
Date:2025-08-26 18:40:02

Noisy Intermediate-Scale Quantum (NISQ) devices have begun to exhibit early quantum advantages on classically intractable problems, spanning physics simulations to Gaussian boson sampling. Yet, realizing these benefits remains challenging for non-experts, primarily due to the complexities of programming in Open Quantum Assembly Language (OpenQASM). Although Large Language Model (LLM)-based agents have shown promise in automating classical programming workflows, their quantum counterparts have largely been restricted to specialized tasks such as quantum chemistry or error correction. In this paper, we present QAgent, an LLM-powered multi-agent system that fully automates OpenQASM programming. By integrating task planning, in-context few-shot learning, retrieval-augmented generation (RAG) for long-term context, predefined generation tools, and chain-of-thought (CoT) reasoning, the agents systematically improve both compilation and functional correctness. Our evaluations demonstrate substantial improvements: across multiple LLMs of varying sizes, QAgent enhances the accuracy of QASM code generation by 71.6\% compared to previous static LLM-based approaches. We envision this multi-agent system as a key enabler for democratizing quantum programming, bridging expertise gaps, and accelerating the practical adoption of quantum computing.

DELIVER: A System for LLM-Guided Coordinated Multi-Robot Pickup and Delivery using Voronoi-Based Relay Planning

Authors:Alkesh K. Srivastava, Jared Michael Levin, Alexander Derrico, Philip Dames
Date:2025-08-26 15:17:08

We present DELIVER (Directed Execution of Language-instructed Item Via Engineered Relay), a fully integrated framework for cooperative multi-robot pickup and delivery driven by natural language commands. DELIVER unifies natural language understanding, spatial decomposition, relay planning, and motion execution to enable scalable, collision-free coordination in real-world settings. Given a spoken or written instruction, a lightweight instance of LLaMA3 interprets the command to extract pickup and delivery locations. The environment is partitioned using a Voronoi tessellation to define robot-specific operating regions. Robots then compute optimal relay points along shared boundaries and coordinate handoffs. A finite-state machine governs each robot's behavior, enabling robust execution. We implement DELIVER on the MultiTRAIL simulation platform and validate it in both ROS2-based Gazebo simulations and real-world hardware using TurtleBot3 robots. Empirical results show that DELIVER maintains consistent mission cost across varying team sizes while reducing per-agent workload by up to 55% compared to a single-agent system. Moreover, the number of active relay agents remains low even as team size increases, demonstrating the system's scalability and efficient agent utilization. These findings underscore DELIVER's modular and extensible architecture for language-guided multi-robot coordination, advancing the frontiers of cyber-physical system integration.

HiPlan: Hierarchical Planning for LLM-Based Agents with Adaptive Global-Local Guidance

Authors:Ziyue Li, Yuan Chang, Gaihong Yu, Xiaoqiu Le
Date:2025-08-26 14:37:48

Large language model (LLM)-based agents have demonstrated remarkable capabilities in decision-making tasks, but struggle significantly with complex, long-horizon planning scenarios. This arises from their lack of macroscopic guidance, causing disorientation and failures in complex tasks, as well as insufficient continuous oversight during execution, rendering them unresponsive to environmental changes and prone to deviations. To tackle these challenges, we introduce HiPlan, a hierarchical planning framework that provides adaptive global-local guidance to boost LLM-based agents'decision-making. HiPlan decomposes complex tasks into milestone action guides for general direction and step-wise hints for detailed actions. During the offline phase, we construct a milestone library from expert demonstrations, enabling structured experience reuse by retrieving semantically similar tasks and milestones. In the execution phase, trajectory segments from past milestones are dynamically adapted to generate step-wise hints that align current observations with the milestone objectives, bridging gaps and correcting deviations. Extensive experiments across two challenging benchmarks demonstrate that HiPlan substantially outperforms strong baselines, and ablation studies validate the complementary benefits of its hierarchical components.

Can Structured Templates Facilitate LLMs in Tackling Harder Tasks? : An Exploration of Scaling Laws by Difficulty

Authors:Zhichao Yang, Zhaoxin Fan, Gen Li, Yuanze Hu, Xinyu Wang, Ye Qiu, Xin Wang, Yifan Sun, Wenjun Wu
Date:2025-08-26 14:26:32

Structured, procedural reasoning is essential for Large Language Models (LLMs), especially in mathematics. While post-training methods have improved LLM performance, they still fall short in capturing deep procedural logic on complex tasks. To tackle the issue, in this paper, we first investigate this limitation and uncover a novel finding: a Scaling Law by Difficulty, which reveals that model performance follows a U-shaped curve with respect to training data complexity -- excessive low-difficulty data impedes abstraction, while high-difficulty data significantly enhances reasoning ability. Motivated by this, we propose the Structured Solution Template (SST) framework, which uses solution templates and a curriculum of varied difficulty to explicitly teach procedural reasoning. Specifically, SST comprises (1) fine-tuning with structured solution-template chains and dynamically weighted loss to prioritize procedural logic, (2) prompt-time injection of solution templates as cognitive scaffolds to guide inference, and (3) integrated curriculum fine-tuning that explicitly teaches the model to self-plan - execute - self-correct. Experiments on GSM8K, AIME24, and new Dynamic En benchmark show that SST significantly improves both accuracy and efficiency, especially on harder problems.

Investigating Advanced Reasoning of Large Language Models via Black-Box Interaction

Authors:Congchi Yin, Tianyi Wu, Yankai Shu, Alex Gu, Yunhan Wang, Jun Shao, Xun Jiang, Piji Li
Date:2025-08-26 13:54:17

Existing tasks fall short in evaluating reasoning ability of Large Language Models (LLMs) in an interactive, unknown environment. This deficiency leads to the isolated assessment of deductive, inductive, and abductive reasoning, neglecting the integrated reasoning process that is indispensable for humans discovery of real world. We introduce a novel evaluation paradigm, \textit{black-box interaction}, to tackle this challenge. A black-box is defined by a hidden function that maps a specific set of inputs to outputs. LLMs are required to unravel the hidden function behind the black-box by interacting with it in given exploration turns, and reasoning over observed input-output pairs. Leveraging this idea, we build the \textsc{Oracle} benchmark which comprises 6 types of black-box task and 96 black-boxes. 19 modern LLMs are benchmarked. o3 ranks first in 5 of the 6 tasks, achieving over 70\% accuracy on most easy black-boxes. But it still struggles with some hard black-box tasks, where its average performance drops below 40\%. Further analysis indicates a universal difficulty among LLMs: They lack the high-level planning capability to develop efficient and adaptive exploration strategies for hypothesis refinement.

CausalMACE: Causality Empowered Multi-Agents in Minecraft Cooperative Tasks

Authors:Qi Chai, Zhang Zheng, Junlong Ren, Deheng Ye, Zichuan Lin, Hao Wang
Date:2025-08-26 08:29:05

Minecraft, as an open-world virtual interactive environment, has become a prominent platform for research on agent decision-making and execution. Existing works primarily adopt a single Large Language Model (LLM) agent to complete various in-game tasks. However, for complex tasks requiring lengthy sequences of actions, single-agent approaches often face challenges related to inefficiency and limited fault tolerance. Despite these issues, research on multi-agent collaboration remains scarce. In this paper, we propose CausalMACE, a holistic causality planning framework designed to enhance multi-agent systems, in which we incorporate causality to manage dependencies among subtasks. Technically, our proposed framework introduces two modules: an overarching task graph for global task planning and a causality-based module for dependency management, where inherent rules are adopted to perform causal intervention. Experimental results demonstrate our approach achieves state-of-the-art performance in multi-agent cooperative tasks of Minecraft.

Text to Query Plans for Question Answering on Large Tables

Authors:Yipeng Zhang, Chen Wang, Yuzhe Zhang, Jacky Jiang
Date:2025-08-26 07:35:26

Efficient querying and analysis of large tabular datasets remain significant challenges, especially for users without expertise in programming languages like SQL. Text-to-SQL approaches have shown promising performance on benchmark data; however, they inherit SQL's drawbacks, including inefficiency with large datasets and limited support for complex data analyses beyond basic querying. We propose a novel framework that transforms natural language queries into query plans. Our solution is implemented outside traditional databases, allowing us to support classical SQL commands while avoiding SQL's inherent limitations. Additionally, we enable complex analytical functions, such as principal component analysis and anomaly detection, providing greater flexibility and extensibility than traditional SQL capabilities. We leverage LLMs to iteratively interpret queries and construct operation sequences, addressing computational complexity by incrementally building solutions. By executing operations directly on the data, we overcome context length limitations without requiring the entire dataset to be processed by the model. We validate our framework through experiments on both standard databases and large scientific tables, demonstrating its effectiveness in handling extensive datasets and performing sophisticated data analyses.

LaQual: A Novel Framework for Automated Evaluation of LLM App Quality

Authors:Yan Wang, Xinyi Hou, Yanjie Zhao, Weiguo Lin, Haoyu Wang, Junjun Si
Date:2025-08-26 03:25:49

LLM app stores are quickly emerging as platforms that gather a wide range of intelligent applications based on LLMs, giving users many choices for content creation, coding support, education, and more. However, the current methods for ranking and recommending apps in these stores mostly rely on static metrics like user activity and favorites, which makes it hard for users to efficiently find high-quality apps. To address these challenges, we propose LaQual, an automated framework for evaluating the quality of LLM apps. LaQual consists of three main stages: first, it labels and classifies LLM apps in a hierarchical way to accurately match them to different scenarios; second, it uses static indicators, such as time-weighted user engagement and functional capability metrics, to filter out low-quality apps; and third, it conducts a dynamic, scenario-adaptive evaluation, where the LLM itself generates scenario-specific evaluation metrics, scoring rules, and tasks for a thorough quality assessment. Experiments on a popular LLM app store show that LaQual is effective. Its automated scores are highly consistent with human judgments (with Spearman's rho of 0.62 and p=0.006 in legal consulting, and rho of 0.60 and p=0.009 in travel planning). By effectively screening, LaQual can reduce the pool of candidate LLM apps by 66.7% to 81.3%. User studies further confirm that LaQual significantly outperforms baseline systems in decision confidence, comparison efficiency (with average scores of 5.45 compared to 3.30), and the perceived value of its evaluation reports (4.75 versus 2.25). Overall, these results demonstrate that LaQual offers a scalable, objective, and user-centered solution for finding and recommending high-quality LLM apps in real-world use cases.

Experiences with Model Context Protocol Servers for Science and High Performance Computing

Authors:Haochen Pan, Ryan Chard, Reid Mello, Christopher Grams, Tanjin He, Alexander Brace, Owen Price Skelly, Will Engler, Hayden Holbrook, Song Young Oh, Maxime Gonthier, Michael Papka, Ben Blaiszik, Kyle Chard, Ian Foster
Date:2025-08-25 21:02:33

Large language model (LLM)-powered agents are increasingly used to plan and execute scientific workflows, yet most research cyberinfrastructure (CI) exposes heterogeneous APIs and implements security models that present barriers for use by agents. We report on our experience using the Model Context Protocol (MCP) as a unifying interface that makes research capabilities discoverable, invokable, and composable. Our approach is pragmatic: we implement thin MCP servers over mature services, including Globus Transfer, Compute, and Search; status APIs exposed by computing facilities; Octopus event fabric; and domain-specific tools such as Garden and Galaxy. We use case studies in computational chemistry, bioinformatics, quantum chemistry, and filesystem monitoring to illustrate how this MCP-oriented architecture can be used in practice. We distill lessons learned and outline open challenges in evaluation and trust for agent-led science.

Detecting and Characterizing Planning in Language Models

Authors:Jatin Nainani, Sankaran Vaidyanathan, Connor Watts, Andre N. Assis, Alice Rigg
Date:2025-08-25 14:59:46

Modern large language models (LLMs) have demonstrated impressive performance across a wide range of multi-step reasoning tasks. Recent work suggests that LLMs may perform planning - selecting a future target token in advance and generating intermediate tokens that lead towards it - rather than merely improvising one token at a time. However, existing studies assume fixed planning horizons and often focus on single prompts or narrow domains. To distinguish planning from improvisation across models and tasks, we present formal and causally grounded criteria for detecting planning and operationalize them as a semi-automated annotation pipeline. We apply this pipeline to both base and instruction-tuned Gemma-2-2B models on the MBPP code generation benchmark and a poem generation task where Claude 3.5 Haiku was previously shown to plan. Our findings show that planning is not universal: unlike Haiku, Gemma-2-2B solves the same poem generation task through improvisation, and on MBPP it switches between planning and improvisation across similar tasks and even successive token predictions. We further show that instruction tuning refines existing planning behaviors in the base model rather than creating them from scratch. Together, these studies provide a reproducible and scalable foundation for mechanistic studies of planning in LLMs.

Automating Conflict-Aware ACL Configurations with Natural Language Intents

Authors:Wenlong Ding, Jianqiang Li, Zhixiong Niu, Huangxun Chen, Yongqiang Xiong, Hong Xu
Date:2025-08-25 13:00:41

ACL configuration is essential for managing network flow reachability, yet its complexity grows significantly with topologies and pre-existing rules. To carry out ACL configuration, the operator needs to (1) understand the new configuration policies or intents and translate them into concrete ACL rules, (2) check and resolve any conflicts between the new and existing rules, and (3) deploy them across the network. Existing systems rely heavily on manual efforts for these tasks, especially for the first two, which are tedious, error-prone, and impractical to scale. We propose Xumi to tackle this problem. Leveraging LLMs with domain knowledge of the target network, Xumi automatically and accurately translates the natural language intents into complete ACL rules to reduce operators' manual efforts. Xumi then detects all potential conflicts between new and existing rules and generates resolved intents for deployment with operators' guidance, and finally identifies the best deployment plan that minimizes the rule additions while satisfying all intents. Evaluation shows that Xumi accelerates the entire configuration pipeline by over 10x compared to current practices, addresses O(100) conflicting ACLs and reduces rule additions by ~40% in modern cloud network.

Neural Algorithmic Reasoners informed Large Language Model for Multi-Agent Path Finding

Authors:Pu Feng, Size Wang, Yuhong Cao, Junkang Liang, Rongye Shi, Wenjun Wu
Date:2025-08-25 12:38:08

The development and application of large language models (LLM) have demonstrated that foundational models can be utilized to solve a wide array of tasks. However, their performance in multi-agent path finding (MAPF) tasks has been less than satisfactory, with only a few studies exploring this area. MAPF is a complex problem requiring both planning and multi-agent coordination. To improve the performance of LLM in MAPF tasks, we propose a novel framework, LLM-NAR, which leverages neural algorithmic reasoners (NAR) to inform LLM for MAPF. LLM-NAR consists of three key components: an LLM for MAPF, a pre-trained graph neural network-based NAR, and a cross-attention mechanism. This is the first work to propose using a neural algorithmic reasoner to integrate GNNs with the map information for MAPF, thereby guiding LLM to achieve superior performance. LLM-NAR can be easily adapted to various LLM models. Both simulation and real-world experiments demonstrate that our method significantly outperforms existing LLM-based approaches in solving MAPF problems.

Evaluating Retrieval-Augmented Generation Strategies for Large Language Models in Travel Mode Choice Prediction

Authors:Yiming Xu, Junfeng Jiao
Date:2025-08-24 21:20:55

Accurately predicting travel mode choice is essential for effective transportation planning, yet traditional statistical and machine learning models are constrained by rigid assumptions, limited contextual reasoning, and reduced generalizability. This study explores the potential of Large Language Models (LLMs) as a more flexible and context-aware approach to travel mode choice prediction, enhanced by Retrieval-Augmented Generation (RAG) to ground predictions in empirical data. We develop a modular framework for integrating RAG into LLM-based travel mode choice prediction and evaluate four retrieval strategies: basic RAG, RAG with balanced retrieval, RAG with a cross-encoder for re-ranking, and RAG with balanced retrieval and cross-encoder for re-ranking. These strategies are tested across three LLM architectures (OpenAI GPT-4o, o4-mini, and o3) to examine the interaction between model reasoning capabilities and retrieval methods. Using the 2023 Puget Sound Regional Household Travel Survey data, we conduct a series of experiments to evaluate model performance. The results demonstrate that RAG substantially enhances predictive accuracy across a range of models. Notably, the GPT-4o model combined with balanced retrieval and cross-encoder re-ranking achieves the highest accuracy of 80.8%, exceeding that of conventional statistical and machine learning baselines. Furthermore, LLM-based models exhibit superior generalization abilities relative to these baselines. Findings highlight the critical interplay between LLM reasoning capabilities and retrieval strategies, demonstrating the importance of aligning retrieval strategies with model capabilities to maximize the potential of LLM-based travel behavior modeling.

An LLM-LVLM Driven Agent for Iterative and Fine-Grained Image Editing

Authors:Zihan Liang, Jiahao Sun, Haoran Ma
Date:2025-08-24 16:28:18

Despite the remarkable capabilities of text-to-image (T2I) generation models, real-world applications often demand fine-grained, iterative image editing that existing methods struggle to provide. Key challenges include granular instruction understanding, robust context preservation during modifications, and the lack of intelligent feedback mechanisms for iterative refinement. This paper introduces RefineEdit-Agent, a novel, training-free intelligent agent framework designed to address these limitations by enabling complex, iterative, and context-aware image editing. RefineEdit-Agent leverages the powerful planning capabilities of Large Language Models (LLMs) and the advanced visual understanding and evaluation prowess of Vision-Language Large Models (LVLMs) within a closed-loop system. Our framework comprises an LVLM-driven instruction parser and scene understanding module, a multi-level LLM-driven editing planner for goal decomposition, tool selection, and sequence generation, an iterative image editing module, and a crucial LVLM-driven feedback and evaluation loop. To rigorously evaluate RefineEdit-Agent, we propose LongBench-T2I-Edit, a new benchmark featuring 500 initial images with complex, multi-turn editing instructions across nine visual dimensions. Extensive experiments demonstrate that RefineEdit-Agent significantly outperforms state-of-the-art baselines, achieving an average score of 3.67 on LongBench-T2I-Edit, compared to 2.29 for Direct Re-Prompting, 2.91 for InstructPix2Pix, 3.16 for GLIGEN-based Edit, and 3.39 for ControlNet-XL. Ablation studies, human evaluations, and analyses of iterative refinement, backbone choices, tool usage, and robustness to instruction complexity further validate the efficacy of our agentic design in delivering superior edit fidelity and context preservation.

Agent-Testing Agent: A Meta-Agent for Automated Testing and Evaluation of Conversational AI Agents

Authors:Sameer Komoravolu, Khalil Mrini
Date:2025-08-24 15:02:13

LLM agents are increasingly deployed to plan, retrieve, and write with tools, yet evaluation still leans on static benchmarks and small human studies. We present the Agent-Testing Agent (ATA), a meta-agent that combines static code analysis, designer interrogation, literature mining, and persona-driven adversarial test generation whose difficulty adapts via judge feedback. Each dialogue is scored with an LLM-as-a-Judge (LAAJ) rubric and used to steer subsequent tests toward the agent's weakest capabilities. On a travel planner and a Wikipedia writer, the ATA surfaces more diverse and severe failures than expert annotators while matching severity, and finishes in 20--30 minutes versus ten-annotator rounds that took days. Ablating code analysis and web search increases variance and miscalibration, underscoring the value of evidence-grounded test generation. The ATA outputs quantitative metrics and qualitative bug reports for developers. We release the full methodology and open-source implementation for reproducible agent testing: https://github.com/KhalilMrini/Agent-Testing-Agent

Chinese Court Simulation with LLM-Based Agent System

Authors:Kaiyuan Zhang, Jiaqi Li, Yueyue Wu, Haitao Li, Cheng Luo, Shaokun Zou, Yujia Zhou, Weihang Su, Qingyao Ai, Yiqun Liu
Date:2025-08-24 12:02:57

Mock trial has long served as an important platform for legal professional training and education. It not only helps students learn about realistic trial procedures, but also provides practical value for case analysis and judgment prediction. Traditional mock trials are difficult to access by the public because they rely on professional tutors and human participants. Fortunately, the rise of large language models (LLMs) provides new opportunities for creating more accessible and scalable court simulations. While promising, existing research mainly focuses on agent construction while ignoring the systematic design and evaluation of court simulations, which are actually more important for the credibility and usage of court simulation in practice. To this end, we present the first court simulation framework -- SimCourt -- based on the real-world procedure structure of Chinese courts. Our framework replicates all 5 core stages of a Chinese trial and incorporates 5 courtroom roles, faithfully following the procedural definitions in China. To simulate trial participants with different roles, we propose and craft legal agents equipped with memory, planning, and reflection abilities. Experiment on legal judgment prediction show that our framework can generate simulated trials that better guide the system to predict the imprisonment, probation, and fine of each case. Further annotations by human experts show that agents' responses under our simulation framework even outperformed judges and lawyers from the real trials in many scenarios. These further demonstrate the potential of LLM-based court simulation.

From Language to Action: A Review of Large Language Models as Autonomous Agents and Tool Users

Authors:Sadia Sultana Chowa, Riasad Alvi, Subhey Sadi Rahman, Md Abdur Rahman, Mohaimenul Azam Khan Raiaan, Md Rafiqul Islam, Mukhtar Hussain, Sami Azam
Date:2025-08-24 10:02:51

The pursuit of human-level artificial intelligence (AI) has significantly advanced the development of autonomous agents and Large Language Models (LLMs). LLMs are now widely utilized as decision-making agents for their ability to interpret instructions, manage sequential tasks, and adapt through feedback. This review examines recent developments in employing LLMs as autonomous agents and tool users and comprises seven research questions. We only used the papers published between 2023 and 2025 in conferences of the A* and A rank and Q1 journals. A structured analysis of the LLM agents' architectural design principles, dividing their applications into single-agent and multi-agent systems, and strategies for integrating external tools is presented. In addition, the cognitive mechanisms of LLM, including reasoning, planning, and memory, and the impact of prompting methods and fine-tuning procedures on agent performance are also investigated. Furthermore, we evaluated current benchmarks and assessment protocols and have provided an analysis of 68 publicly available datasets to assess the performance of LLM-based agents in various tasks. In conducting this review, we have identified critical findings on verifiable reasoning of LLMs, the capacity for self-improvement, and the personalization of LLM-based agents. Finally, we have discussed ten future research directions to overcome these gaps.

Mind the Gap: Time-of-Check to Time-of-Use Vulnerabilities in LLM-Enabled Agents

Authors:Derek Lilienthal, Sanghyun Hong
Date:2025-08-23 22:41:49

Large Language Model (LLM)-enabled agents are rapidly emerging across a wide range of applications, but their deployment introduces vulnerabilities with security implications. While prior work has examined prompt-based attacks (e.g., prompt injection) and data-oriented threats (e.g., data exfiltration), time-of-check to time-of-use (TOCTOU) remain largely unexplored in this context. TOCTOU arises when an agent validates external state (e.g., a file or API response) that is later modified before use, enabling practical attacks such as malicious configuration swaps or payload injection. In this work, we present the first study of TOCTOU vulnerabilities in LLM-enabled agents. We introduce TOCTOU-Bench, a benchmark with 66 realistic user tasks designed to evaluate this class of vulnerabilities. As countermeasures, we adapt detection and mitigation techniques from systems security to this setting and propose prompt rewriting, state integrity monitoring, and tool-fusing. Our study highlights challenges unique to agentic workflows, where we achieve up to 25% detection accuracy using automated detection methods, a 3% decrease in vulnerable plan generation, and a 95% reduction in the attack window. When combining all three approaches, we reduce the TOCTOU vulnerabilities from an executed trajectory from 12% to 8%. Our findings open a new research direction at the intersection of AI safety and systems security.

PowerChain: Automating Distribution Grid Analysis with Agentic AI Workflows

Authors:Emmanuel O. Badmus, Peng Sang, Dimitrios Stamoulis, Amritanshu Pandey
Date:2025-08-23 17:24:46

Due to the rapid pace of electrification and decarbonization, distribution grid (DG) operation and planning are becoming more complex, necessitating advanced computational analyses to ensure grid reliability and resilience. State-of-the-art DG analyses rely on disparate workflows of complex models, functions, and data pipelines, which require expert knowledge and are challenging to automate. Many small-scale utilities and cooperatives lack a large R&D workforce and therefore cannot use advanced analysis at scale. To address this gap, we develop a novel agentic AI system, PowerChain, to solve unseen DG analysis tasks via automated agentic orchestration and large language models (LLMs) function-calling. Given a natural language query, PowerChain dynamically generates and executes an ordered sequence of domain-aware functions guided by the semantics of an expert-built power systems function pool and a select reference set of known, expert-generated workflow-query pairs. Our results show that PowerChain can produce expert-level workflows with both GPT-5 and open-source Qwen models on complex, unseen DG analysis tasks operating on real utility data.

Anemoi: A Semi-Centralized Multi-agent System Based on Agent-to-Agent Communication MCP server from Coral Protocol

Authors:Xinxing Ren, Caelum Forder, Qianbo Zang, Ahsen Tahir, Roman J. Georgio, Suman Deb, Peter Carroll, Önder Gürcan, Zekun Guo
Date:2025-08-23 15:45:10

Recent advances in generalist multi-agent systems (MAS) have largely followed a context-engineering plus centralized paradigm, where a planner agent coordinates multiple worker agents through unidirectional prompt passing. While effective under strong planner models, this design suffers from two critical limitations: (1) strong dependency on the planner's capability, which leads to degraded performance when a smaller LLM powers the planner; and (2) limited inter-agent communication, where collaboration relies on costly prompt concatenation and context injection, introducing redundancy and information loss. To address these challenges, we propose Anemoi, a semi-centralized MAS built on the Agent-to-Agent (A2A) communication MCP server from Coral Protocol. Unlike traditional designs, Anemoi enables structured and direct inter-agent collaboration, allowing all agents to monitor progress, assess results, identify bottlenecks, and propose refinements in real time. This paradigm reduces reliance on a single planner, supports adaptive plan updates, and minimizes redundant context passing, resulting in more scalable and cost-efficient execution. Evaluated on the GAIA benchmark, Anemoi achieved 52.73% accuracy with a small LLM (GPT-4.1-mini) as the planner, surpassing the strongest open-source baseline OWL (43.63%) by +9.09% under identical LLM settings. Our implementation is publicly available at https://github.com/Coral-Protocol/Anemoi.