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Large Language Models (LLMs) like GPT-4 have revolutionized natural language processing, showing remarkable linguistic proficiency and reasoning capabilities. However, their application in strategic multi-agent decision-making environments…

Computation and Language · Computer Science 2024-05-29 Chuanhao Li , Runhan Yang , Tiankai Li , Milad Bafarassat , Kourosh Sharifi , Dirk Bergemann , Zhuoran Yang

Large language models (LLMs) and agent techniques have brought a fundamental shift in the functionality and development paradigm of data analysis tasks (a.k.a LLM/Agent-as-Data-Analyst), demonstrating substantial impact across both academia…

This paper surveys the development of large language model (LLM)-based agents for question answering (QA). Traditional agents face significant limitations, including substantial data requirements and difficulty in generalizing to new…

Computation and Language · Computer Science 2025-03-26 Murong Yue

Hyperparameter optimization is critical in modern machine learning, requiring expert knowledge, numerous trials, and high computational and human resources. Despite the advancements in Automated Machine Learning (AutoML), challenges in…

Machine Learning · Computer Science 2025-02-27 Siyi Liu , Chen Gao , Yong Li

In recent years, data science agents powered by Large Language Models (LLMs), known as "data agents," have shown significant potential to transform the traditional data analysis paradigm. This survey provides an overview of the evolution,…

Artificial Intelligence · Computer Science 2025-12-01 Maojun Sun , Ruijian Han , Binyan Jiang , Houduo Qi , Defeng Sun , Yancheng Yuan , Jian Huang

The advancement of data-driven materials science is currently constrained by a fundamental bottleneck: the vast majority of historical experimental data remains locked within the unstructured text and rasterized figures of legacy scientific…

Databases · Computer Science 2026-02-04 Yue Wu , Tianhao Su , Shunbo Hu , Deng Pan

This paper introduces Agent-Based Auto Research, a structured multi-agent framework designed to automate, coordinate, and optimize the full lifecycle of scientific research. Leveraging the capabilities of large language models (LLMs) and…

Transformer neural networks show promising capabilities, in particular for uses in materials analysis, design and manufacturing, including their capacity to work effectively with both human language, symbols, code, and numerical data. Here…

Computation and Language · Computer Science 2023-11-01 Markus J. Buehler

With the recent development of natural language generation models - termed as large language models (LLMs) - a potential use case has opened up to improve the way that humans interact with robot assistants. These LLMs should be able to…

Multiagent Systems · Computer Science 2024-11-27 Mitchell Rosser , Marc. G Carmichael

We present a modular framework powered by large language models (LLMs) that automates and streamlines key tasks across the early-stage computational drug discovery pipeline. By combining LLM reasoning with domain-specific tools, the…

This paper reviews the architecture and implementation methods of agents powered by large language models (LLMs). Motivated by the limitations of traditional LLMs in real-world tasks, the research aims to explore patterns to develop…

Artificial Intelligence · Computer Science 2025-10-13 Victor de Lamo Castrillo , Habtom Kahsay Gidey , Alexander Lenz , Alois Knoll

Large Audio-Language Models (LALMs) perform well on audio understanding tasks but lack multistep reasoning and tool-calling found in recent Large Language Models (LLMs). This paper presents AudioToolAgent, a framework that coordinates…

Sound · Computer Science 2026-02-16 Gijs Wijngaard , Elia Formisano , Michel Dumontier , Jenia Jitsev

The emergence of Large Language Models (LLMs) has reshaped agent systems. Unlike traditional rule-based agents with limited task scope, LLM-powered agents offer greater flexibility, cross-domain reasoning, and natural language interaction.…

Artificial Intelligence · Computer Science 2026-05-05 Guannan Liang , Qianqian Tong

This paper investigates the ontological characterization of Large Language Models (LLMs) like ChatGPT. Between inflationary and deflationary accounts, we pay special attention to their status as agents. This requires explaining in detail…

Artificial Intelligence · Computer Science 2026-03-09 Xabier E. Barandiaran , Lola S. Almendros

The emergence of Large Language Models (LLMs) with increasingly sophisticated natural language understanding and generative capabilities has sparked interest in the Agent-based Modelling (ABM) community. With their ability to summarize,…

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

The rise of big data has amplified the need for efficient, user-friendly automated machine learning (AutoML) tools. However, the intricacy of understanding domain-specific data and defining prediction tasks necessitates human intervention…

Computation and Language · Computer Science 2023-05-24 Md Mahadi Hassan , Alex Knipper , Shubhra Kanti Karmaker Santu

Large language models (LLMs) are rapidly transforming materials science. This review examines recent LLM applications across the materials discovery pipeline, focusing on three key areas: mining scientific literature , predictive modelling,…

Computation and Language · Computer Science 2025-11-17 Fengxu Yang , Weitong Chen , Jack D. Evans

Inventory management remains a challenge for many small and medium-sized businesses that lack the expertise to deploy advanced optimization methods. This paper investigates whether Large Language Models (LLMs) can help bridge this gap. We…

Artificial Intelligence · Computer Science 2026-01-05 Yaqi Duan , Yichun Hu , Jiashuo Jiang

Large Language Models (LLMs) have achieved remarkable success across a wide array of tasks. Due to the impressive planning and reasoning abilities of LLMs, they have been used as autonomous agents to do many tasks automatically. Recently,…

Computation and Language · Computer Science 2024-04-22 Taicheng Guo , Xiuying Chen , Yaqi Wang , Ruidi Chang , Shichao Pei , Nitesh V. Chawla , Olaf Wiest , Xiangliang Zhang