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Effectively configuring scalable large language model (LLM) experiments, spanning architecture design, hyperparameter tuning, and beyond, is crucial for advancing LLM research, as poor configuration choices can waste substantial…

Artificial Intelligence · Computer Science 2026-05-19 Taicheng Guo , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang

The rapid advancement of Large Language Models (LLMs) has driven novel applications across diverse domains, with LLM-based agents emerging as a crucial area of exploration. This survey presents a comprehensive analysis of LLM-based agents…

Artificial Intelligence · Computer Science 2025-11-25 Ke Chen , Peiran Wang , Yaoning Yu , Xianyang Zhan , Haohan Wang

Large Language Models (LLMs) have extended their impact beyond Natural Language Processing, substantially fostering the development of interdisciplinary research. Recently, various LLM-based agents have been developed to assist scientific…

Large language models and autonomous AI agents have evolved rapidly, resulting in a diverse array of evaluation benchmarks, frameworks, and collaboration protocols. Driven by the growing need for standardized evaluation and integration, we…

Artificial Intelligence · Computer Science 2026-03-10 Mohamed Amine Ferrag , Norbert Tihanyi , Merouane Debbah

The exponential growth of scientific knowledge has created significant barriers to cross-disciplinary knowledge discovery, synthesis and research collaboration. In response to this challenge, we present BioSage, a novel compound AI…

The ability to automatically generate accurate protocols for scientific experiments would represent a major step towards the automation of science. Large Language Models (LLMs) have impressive capabilities on a wide range of tasks, such as…

Computation and Language · Computer Science 2023-10-17 Odhran O'Donoghue , Aleksandar Shtedritski , John Ginger , Ralph Abboud , Ali Essa Ghareeb , Justin Booth , Samuel G Rodriques

Recommender systems are essential components of many online platforms, yet traditional approaches still struggle with understanding complex user preferences and providing explainable recommendations. The emergence of Large Language Model…

Information Retrieval · Computer Science 2025-03-05 Qiyao Peng , Hongtao Liu , Hua Huang , Qing Yang , Minglai Shao

Process simulation is a critical cornerstone of chemical engineering design. Current automated chemical design methodologies focus mainly on various representations of process flow diagrams. However, transforming these diagrams into…

Artificial Intelligence · Computer Science 2026-01-13 Xufei Tian , Wenli Du , Shaoyi Yang , Han Hu , Hui Xin , Shifeng Qu , Ke Ye

The rapid growth of biomedical knowledge has outpaced our ability to efficiently extract insights and generate novel hypotheses. Large language models (LLMs) have emerged as a promising tool to revolutionize knowledge interaction and…

Computation and Language · Computer Science 2024-07-16 Biqing Qi , Kaiyan Zhang , Kai Tian , Haoxiang Li , Zhang-Ren Chen , Sihang Zeng , Ermo Hua , Hu Jinfang , Bowen Zhou

LLMs have made significant progress in complex but easy-to-verify problems, yet they still struggle with discovering the unknown. In this paper, we present \textbf{AlphaResearch}, an autonomous research agent designed to discover new…

Computation and Language · Computer Science 2026-04-02 Zhaojian Yu , Kaiyue Feng , Yilun Zhao , Shilin He , Xiao-Ping Zhang , Arman Cohan

Peer review remains the central quality-control mechanism of science, yet its ability to fulfill this role is increasingly strained. Empirical studies document serious shortcomings: long publication delays, escalating reviewer burden…

From professional research to everyday planning, many tasks are bottlenecked by wide-scale information seeking, which is more repetitive than cognitively complex. With the rapid development of Large Language Models (LLMs), automated search…

Computation and Language · Computer Science 2025-08-29 Ryan Wong , Jiawei Wang , Junjie Zhao , Li Chen , Yan Gao , Long Zhang , Xuan Zhou , Zuo Wang , Kai Xiang , Ge Zhang , Wenhao Huang , Yang Wang , Ke Wang

Objective: To demonstrate the capabilities of Large Language Models (LLMs) as autonomous agents to reproduce findings of published research studies using the same or similar dataset. Materials and Methods: We used the "Quick Access" dataset…

Computation and Language · Computer Science 2025-06-02 Nic Dobbins , Christelle Xiong , Kristine Lan , Meliha Yetisgen

Advanced scientific user facilities, such as next generation X-ray light sources and self-driving laboratories, are revolutionizing scientific discovery by automating routine tasks and enabling rapid experimentation and characterizations.…

Instrumentation and Detectors · Physics 2025-09-03 Aikaterini Vriza , Michael H. Prince , Tao Zhou , Henry Chan , Mathew J. Cherukara

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

Continuing advances in Large Language Models (LLMs) in artificial intelligence offer important capacities in intuitively accessing and using medical knowledge in many contexts, including education and training as well as assessment and…

Computation and Language · Computer Science 2024-08-01 Roma Shusterman , Allison C. Waters , Shannon O`Neill , Phan Luu , Don M. Tucker

While Large Language Models (LLMs) have empowered AI research agents to perform isolated scientific tasks, automating complex, real-world workflows, such as LLM training, remains a significant challenge. In this paper, we introduce TREX, a…

Artificial Intelligence · Computer Science 2026-04-23 Zerun Ma , Guoqiang Wang , Xinchen Xie , Yicheng Chen , He Du , Bowen Li , Yanan Sun , Wenran Liu , Kai Chen , Yining Li

The realization of autonomous scientific experimentation is currently limited by LLMs' struggle to grasp the strict procedural logic and accuracy required by biological protocols. To address this fundamental challenge, we present…

Computation and Language · Computer Science 2026-01-22 Yuyang Liu , Liuzhenghao Lv , Xiancheng Zhang , Jingya Wang Li Yuan , Yonghong Tian

Synthetic data generation using large language models (LLMs) demonstrates substantial promise in addressing biomedical data challenges and shows increasing adoption in biomedical research. This study systematically reviews recent advances…

Computation and Language · Computer Science 2026-02-18 Hanshu Rao , Weisi Liu , Haohan Wang , I-Chan Huang , Zhe He , Xiaolei Huang

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan,…

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