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Large language model based agents are increasingly deployed in complex, tool augmented environments. While reinforcement learning provides a principled mechanism for such agents to improve through interaction, its effectiveness critically…

Artificial Intelligence · Computer Science 2025-12-04 Shinji Mai , Yunpeng Zhai , Ziqian Chen , Cheng Chen , Anni Zou , Shuchang Tao , Zhaoyang Liu , Bolin Ding

As large models evolve from conversational assistants into autonomous agents, challenges increasingly arise from long-horizon decision making, tool use, and real environment interaction. Existing agenticinfrastructure remain fragmented…

Large language model (LLM)-based agents are increasingly used to solve complex tasks involving tool use, such as web browsing, code execution, and data analysis. However, current evaluation benchmarks do not adequately assess their ability…

Recent advancements in Large Language Models (LLMs) have shown significant progress in understanding complex natural language. One important application of LLM is LLM-based AI Agent, which leverages the ability of LLM as well as external…

Computation and Language · Computer Science 2024-07-19 Zelong Li , Shuyuan Xu , Kai Mei , Wenyue Hua , Balaji Rama , Om Raheja , Hao Wang , He Zhu , Yongfeng Zhang

Recent advances in generative AI have accelerated the discovery of novel chemicals and materials. However, scaling these discoveries to industrial production remains a major bottleneck due to the synthesis gap -- the need to develop…

Machine Learning · Computer Science 2025-08-19 Sakhinana Sagar Srinivas , Shivam Gupta , Venkataramana Runkana

Agent systems based on large language models (LLMs) have shown great potential in complex reasoning tasks, but building efficient and generalizable workflows remains a major challenge. Most existing approaches rely on manually designed…

Computation and Language · Computer Science 2025-10-01 Yanbo Wang , Zixiang Xu , Yue Huang , Xiangqi Wang , Zirui Song , Lang Gao , Chenxi Wang , Xiangru Tang , Yue Zhao , Arman Cohan , Xiangliang Zhang , Xiuying Chen

Recently there has been increasing interest in developing and deploying deep graph learning algorithms for many tasks, such as fraud detection and recommender systems. Albeit, there is a limited number of publicly available graph-structured…

Machine Learning · Computer Science 2023-10-06 Sajad Darabi , Piotr Bigaj , Dawid Majchrowski , Artur Kasymov , Pawel Morkisz , Alex Fit-Florea

Training LLMs to invoke tools and leverage retrieved information necessitates high-quality, diverse data. However, existing pipelines for synthetic data generation often rely on tens of thousands of real API calls to enhance generalization,…

Artificial Intelligence · Computer Science 2025-12-19 Hao Chen , Zhexin Hu , Jiajun Chai , Haocheng Yang , Hang He , Xiaohan Wang , Wei Lin , Luhang Wang , Guojun Yin , Zhuofeng zhao

Augmenting large language models (LLMs) with external tools is a promising approach to enhance their capabilities, especially for complex tasks. Synthesizing tool-use data through real-world simulations is an effective way to achieve this.…

Computation and Language · Computer Science 2025-11-10 Yirong Zeng , Xiao Ding , Yuxian Wang , Weiwen Liu , Wu Ning , Yutai Hou , Xu Huang , Duyu Tang , Dandan Tu , Bing Qin , Ting Liu

Training large language model agents on tasks at the frontier of their capabilities is key to unlocking advanced reasoning. We introduce a data synthesis approach inspired by the educational theory of the Zone of Proximal Development (ZPD),…

Computation and Language · Computer Science 2025-10-29 Xuanzhong Chen , Zile Qiao , Guoxin Chen , Liangcai Su , Zhen Zhang , Xinyu Wang , Pengjun Xie , Fei Huang , Jingren Zhou , Yong Jiang

Skills are a promising way to improve LLM agent capabilities without retraining, while keeping the added procedure reusable and controllable. However, high-quality skills are still largely written by hand. We introduce SkillGen, a…

Machine Learning · Computer Science 2026-05-13 Yuchen Ma , Yue Huang , Han Bao , Haomin Zhuang , Swadheen Shukla , Michel Galley , Xiangliang Zhang , Stefan Feuerriegel

Evaluating the safety of LLM-based agents is increasingly important because risks in realistic deployments often emerge over multi-step interactions rather than isolated prompts or final responses. Existing trajectory-level benchmarks…

Artificial Intelligence · Computer Science 2026-05-14 Yu Li , Haoyu Luo , Yuejin Xie , Yuqian Fu , Zhonghao Yang , Shuai Shao , Qihan Ren , Wanying Qu , Yanwei Fu , Yujiu Yang , Jing Shao , Xia Hu , Dongrui Liu

In this paper, we introduce a high-level controller synthesis framework that enables teams of heterogeneous agents to assist each other in resolving environmental conflicts that appear at runtime. This conflict resolution method is built…

Robotics · Computer Science 2022-09-02 Michael Enqi Cao , Jonas Warnke , Yunhai Han , Xinpei Ni , Ye Zhao , Samuel Coogan

Tool-using large language model (LLM) agents are increasingly deployed in settings where their reliable behavior is governed by strict procedural manuals. Ensuring that such agents comply with the rules from these manuals is challenging, as…

Computation and Language · Computer Science 2026-05-08 Ashwani Anand , Ivi Chatzi , Ritam Raha , Anne-Kathrin Schmuck

Recent advances in agentic AI have shifted the focus from standalone Large Language Models (LLMs) to integrated systems that combine LLMs with tools, memory, and other agents to perform complex tasks. These multi-agent architectures enable…

Multiagent Systems · Computer Science 2025-12-17 Sreemaee Akshathala , Bassam Adnan , Mahisha Ramesh , Karthik Vaidhyanathan , Basil Muhammed , Kannan Parthasarathy

Large Language Models (LLMs) increasingly rely on external tools to perform complex, realistic tasks, yet their ability to utilize the rapidly expanding Model Contextual Protocol (MCP) ecosystem remains limited. Existing MCP research covers…

Artificial Intelligence · Computer Science 2026-04-17 Wenhao Wang , Peizhi Niu , Zhao Xu , Zhaoyu Chen , Jian Du , Yaxin Du , Xianghe Pang , Keduan Huang , Yanfeng Wang , Qiang Yan , Siheng Chen

How do LLMs compare with symbolic tools on program synthesis tasks? We investigate this question on several synthesis domains: LTL reactive synthesis, syntax-guided synthesis, distributed protocol synthesis, and recursive function…

Programming Languages · Computer Science 2026-03-24 Derek Egolf , Yuhao Zhou , Stavros Tripakis

As large language models (LLMs) advance, their inability to autonomously execute tasks by directly interacting with external tools remains a critical limitation. Traditional methods rely on inputting tool descriptions as context, which is…

Computation and Language · Computer Science 2025-04-01 Renxi Wang , Xudong Han , Lei Ji , Shu Wang , Timothy Baldwin , Haonan Li

The arrival of large language models (LLMs) capable of multi-step reasoning, tool use, and long-horizon planning has produced a qualitative shift in software engineering. Where earlier code-completion tools such as GitHub Copilot operated…

Software Engineering · Computer Science 2026-04-30 Happy Bhati

Large language model (LLM)-based agents increasingly rely on tool use to complete real-world tasks. While existing works evaluate the LLMs' tool use capability, they largely focus on the final answers yet overlook the detailed tool usage…