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Refactoring is a constant activity in software development and maintenance. Scale and maintain software systems are based on code refactoring. However, this process is still labor intensive, as it requires programmers to analyze the…

Open-source pre-trained Large Language Models (LLMs) exhibit strong language understanding and generation capabilities, making them highly successful in a variety of tasks. However, when used as agents for dealing with complex problems in…

Computation and Language · Computer Science 2024-04-01 Qinhao Zhou , Zihan Zhang , Xiang Xiang , Ke Wang , Yuchuan Wu , Yongbin Li

Agent-Based Modelling (ABM) has emerged as an essential tool for simulating social networks, encompassing diverse phenomena such as information dissemination, influence dynamics, and community formation. However, manually configuring varied…

Multi-agent systems built on Large Language Models (LLMs) show exceptional promise for complex collaborative problem-solving, yet they face fundamental challenges stemming from context window limitations that impair memory consistency, role…

Artificial Intelligence · Computer Science 2026-01-13 Sizhe Yuen , Francisco Gomez Medina , Ting Su , Yali Du , Adam J. Sobey

Large language model (LLM)-based agents have shown strong capabilities in using external tools to solve complex tasks. However, existing evaluations often overlook the temporal dimension of tool use, especially the impact of tool response…

Artificial Intelligence · Computer Science 2026-05-29 Kou Shi , Ziao Zhang , Shiting Huang , Avery Nie , Zhen Fang , Qiuchen Wang , Lin Chen , Huaian Chen , Zehui Chen , Feng Zhao

LLM agents are increasingly expected to function as general-purpose systems capable of resolving open-ended user requests. While existing benchmarks focus on domain-aware environments for developing specialized agents, evaluating…

Artificial Intelligence · Computer Science 2026-02-24 Xiaochuan Li , Ryan Ming , Pranav Setlur , Abhijay Paladugu , Andy Tang , Hao Kang , Shuai Shao , Rong Jin , Chenyan Xiong

AI agents are increasingly used to solve complex, multi-step tasks, but existing multi-agent frameworks remain brittle as workflows grow in scale and depth. Small errors at intermediate stages can propagate through agent interactions, while…

Artificial Intelligence · Computer Science 2026-05-26 Andy Xu , Yu-Wing Tai

The integration of Artificial Intelligence (AI) with High-Performance Computing (HPC) is transforming scientific workflows from human-directed pipelines into adaptive systems capable of autonomous decision-making. Large language models…

Large Language Models (LLMs) have shown remarkable performance in completing various tasks. However, solving complex problems often requires the coordination of multiple agents, raising a fundamental question: how to effectively select and…

Computation and Language · Computer Science 2026-04-02 Eric Hanchen Jiang , Levina Li , Rui Sun , Xiao Liang , Yubei Li , Yuchen Wu , Haozheng Luo , Hengli Li , Zhi Zhang , Zhaolu Kang , Kai-Wei Chang , Ying Nian Wu

Although LLM-based agents are proven to master tool orchestration in scientific fields, particularly chemistry, their single-task performance remains limited by underlying tool constraints. To this end, we propose tool amplification, a…

Machine Learning · Computer Science 2026-04-20 Zhucong Li , Powei Chang , Jin Xiao , Zhijian Zhou , Qianyu He , Jiaqing Liang , Fenglei Cao , Xu Yinghui , Yuan Qi

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…

Drug discovery frequently loses momentum when data, expertise, and tools are scattered, slowing design cycles. To shorten this loop we built a hierarchical, tool using agent framework that automates molecular optimisation. A Principal…

Machine Learning · Computer Science 2025-08-06 Atabey Ünlü , Phil Rohr , Ahmet Celebi

LLM-based tool agents offer natural language interfaces, enabling users to seamlessly interact with computing services. While REST APIs are valuable resources for building such agents, they must first be transformed into AI-compatible…

Machine Learning · Computer Science 2025-01-29 Xinyi Ni , Qiuyang Wang , Yukun Zhang , Pengyu Hong

Translating algorithms from high-level languages like MATLAB to hardware description languages (HDLs) is a resource-intensive but necessary step for deployment on FPGAs and ASICs. While large language models (LLMs) offer a path to…

Software Engineering · Computer Science 2025-12-18 Henry Gray , Tom Yotam , Octavian Udrea

Automated machine learning (AutoML) accelerates AI development by automating tasks in the development pipeline, such as optimal model search and hyperparameter tuning. Existing AutoML systems often require technical expertise to set up…

Machine Learning · Computer Science 2025-06-09 Patara Trirat , Wonyong Jeong , Sung Ju Hwang

AI agents augment large language models with external tools such as web retrieval, enabling grounded and up-to-date responses. However, incorporating external content into the generation pipeline can weaken the safety alignment mechanisms…

Computation and Language · Computer Science 2026-05-29 Aditya Nawal , Manit Baser , Mohan Gurusamy

This benchmark suite provides a comprehensive evaluation framework for assessing both individual LLMs and multi-agent systems in Real-world planning and scheduling scenarios. The suite encompasses 14 designed planning and scheduling…

Artificial Intelligence · Computer Science 2025-08-06 Longling Geng , Edward Y. Chang

Large Language Models (LLM) are increasingly being explored for problem-solving tasks. However, their strategic planning capability is often viewed with skepticism. Recent studies have incorporated the Monte Carlo Tree Search (MCTS)…

Artificial Intelligence · Computer Science 2025-02-05 Bingzheng Gan , Yufan Zhao , Tianyi Zhang , Jing Huang , Yusu Li , Shu Xian Teo , Changwang Zhang , Wei Shi

We find that, simply via a sampling-and-voting method, the performance of large language models (LLMs) scales with the number of agents instantiated. Also, this method, termed as Agent Forest, is orthogonal to existing complicated methods…

Computation and Language · Computer Science 2024-10-14 Junyou Li , Qin Zhang , Yangbin Yu , Qiang Fu , Deheng Ye

Recent advances in AI and ML have transformed data science, yet increasing complexity and expertise requirements continue to hinder progress. Although crowd-sourcing platforms alleviate some challenges, high-level machine learning…