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We present an autonomous large language model (LLM) agent for end-to-end, data-driven materials theory development. The model can choose an equation form, generate and run its own code, and test how well the theory matches the data without…

Artificial Intelligence · Computer Science 2026-04-23 Samuel Onimpa Alfred , Veera Sundararaghavan

Chain-of-thought prompting significantly boosts the reasoning ability of large language models but still faces three issues: hallucination problem, restricted interpretability, and uncontrollable generation. To address these challenges, we…

Computation and Language · Computer Science 2024-09-20 Chen Liang , Zhifan Feng , Zihe Liu , Wenbin Jiang , Jinan Xu , Yufeng Chen , Yong Wang

Training AI models has always been challenging, especially when there is a need for custom models to provide personalized services. Algorithm engineers often face a lengthy process to iteratively develop models tailored to specific business…

Artificial Intelligence · Computer Science 2023-11-27 Haoyuan Li , Hao Jiang , Tianke Zhang , Zhelun Yu , Aoxiong Yin , Hao Cheng , Siming Fu , Yuhao Zhang , Wanggui He

Large Language Model (LLM)-based agents have demonstrated strong capabilities across a wide range of tasks, and their application in the medical domain holds particular promise due to the demand for high generalizability and reliance on…

Artificial Intelligence · Computer Science 2025-08-18 Yangyang Zhuang , Wenjia Jiang , Jiayu Zhang , Ze Yang , Joey Tianyi Zhou , Chi Zhang

Recent agent-based recommendation frameworks aim to simulate user behaviors by incorporating memory mechanisms and prompting strategies, but they struggle with hallucinating non-existent items and full-catalog ranking. Besides, a largely…

Information Retrieval · Computer Science 2026-02-25 Mingdai Yang , Nurendra Choudhary , Jiangshu Du , Edward W. Huang , Philip S. Yu , Karthik Subbian , Danai Koutra

Traditional optimization methods excel in well-defined search spaces but struggle with design problems where transformations and design parameters are difficult to define. Large language models (LLMs) offer a promising alternative by…

Machine Learning · Computer Science 2025-12-01 Anthony Carreon , Vansh Sharma , Venkat Raman

Large language models (LLMs) have demonstrated remarkable capabilities across diverse tasks, but optimizing LLM-based agentic systems remains challenging due to the vast search space of agent configurations, prompting strategies, and…

Machine Learning · Computer Science 2026-03-02 Patara Trirat , Wonyong Jeong , Sung Ju Hwang

Accelerating applications through the design of hardware accelerators can significantly enhance system performance and energy efficiency. Despite advances, such as high-level synthesis (HLS), designing accelerators for complex applications…

Hardware Architecture · Computer Science 2026-05-18 Abinand Nallathambi , Christopher Knight , Shantanu Ganguly , Wilfried Haensch , Anand Raghunathan

Large Language Models (LLMs) agents are increasingly pivotal for addressing complex tasks in interactive environments. Existing work mainly focuses on enhancing performance through behavior cloning from stronger experts, yet such approaches…

Artificial Intelligence · Computer Science 2025-03-25 Siyu Yuan , Zehui Chen , Zhiheng Xi , Junjie Ye , Zhengyin Du , Jiecao Chen

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

The convergence of Agentic AI and MAS enables a new paradigm for intelligent decision making in SMS. Traditional MAS architectures emphasize distributed coordination and specialized autonomy, while recent advances in agentic AI driven by…

Multiagent Systems · Computer Science 2026-04-09 Mojtaba A. Farahani , Md Irfan Khan , Thorsten Wuest

Corpus linguistics has traditionally relied on human researchers to formulate hypotheses, construct queries, and interpret results - a process demanding specialized technical skills and considerable time. We propose Agent-Driven Corpus…

Computation and Language · Computer Science 2026-04-09 Jia Yu , Weiwei Yu , Pengfei Xiao , Fukun Xing

Computer-Aided Design (CAD) is an expert-level task that relies on long-horizon reasoning and coherent modeling actions. Large Language Models (LLMs) have shown remarkable advancements in enabling language agents to tackle real-world tasks.…

Computer Vision and Pattern Recognition · Computer Science 2026-04-21 Yifei Gong , Xing Wu , Wenda Liu , Kang Tu

Designing optimization approaches, whether heuristic or meta-heuristic, usually demands extensive manual intervention and has difficulty generalizing across diverse problem domains. The combination of Large Language Models (LLMs) and…

Neural and Evolutionary Computing · Computer Science 2024-10-29 He Yu , Jing Liu

Feature transformation enhances downstream task performance by generating informative features through mathematical feature crossing. Despite the advancements in deep learning, feature transformation remains essential for structured data,…

Machine Learning · Computer Science 2026-03-02 Tao Zhe , Huazhen Fang , Kunpeng Liu , Qian Lou , Tamzidul Hoque , Dongjie Wang

Modern software applications demand efficient and reliable testing methodologies to ensure robust user interface functionality. This paper introduces an autonomous reinforcement learning (RL) agent integrated within a Behavior-Driven…

Software Engineering · Computer Science 2026-02-10 Ali Hassaan Mughal

Large Language Models (LLMs) have shown impressive capabilities in multi-step reasoning and problem-solving.Recent works introduce multi-agent reflection frameworks where multiple LLM agents critique and refine each other's outputs using…

Artificial Intelligence · Computer Science 2025-11-26 Yuanhao Li , Mingshan Liu , Hongbo Wang , Yiding Zhang , Yifei Ma , Wei Tan

Iterative LLM systems(self-refinement, chain-of-thought, autonomous agents) are increasingly deployed, yet their temporal dynamics remain uncharacterized. Prior work evaluates task performance at convergence but ignores the trajectory: how…

Machine Learning · Computer Science 2026-02-02 Nicolas Tacheny

While large language model (LLM) multi-agent systems achieve superior reasoning performance through iterative debate, practical deployment is limited by their high computational cost and error propagation. This paper proposes AgentArk, a…

Artificial Intelligence · Computer Science 2026-05-26 Yinyi Luo , Yiqiao Jin , Weichen Yu , Mengqi Zhang , Srijan Kumar , Xiaoxiao Li , Weijie Xu , Xin Chen , Jindong Wang

Software issue resolution aims to address real-world issues in software repositories (e.g., bug fixing and efficiency optimization) based on natural language descriptions provided by users, representing a key aspect of software maintenance.…

Software Engineering · Computer Science 2025-12-30 Zhonghao Jiang , David Lo , Zhongxin Liu