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Accelerating the discovery of high-performance materials remains a central challenge across energy, electronics, and aerospace technologies, where traditional workflows depend heavily on expert intuition and computationally expensive…

Machine Learning · Computer Science 2026-02-12 Genmao Zhuang , Amir Barati Farimani

Foundation models (FMs) are catalyzing a transformative shift in materials science (MatSci) by enabling scalable, general-purpose, and multimodal AI systems for scientific discovery. Unlike traditional machine learning models, which are…

Machine Learning · Computer Science 2025-06-27 Minh-Hao Van , Prateek Verma , Chen Zhao , Xintao Wu

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

Large language models (LLMs) have enabled agentic AI systems for scientific discovery, but most approaches remain limited to textbased reasoning without automated experimental verification. We propose MIND, an LLM-driven framework for…

Multiagent Systems · Computer Science 2026-04-16 Geonhee Ahn , Donghyun Lee , Hayoung Doo , Jonggeol Na , Hyunsoo Cho , Sookyung Kim

Today, E-commerce sellers face several key challenges, including difficulties in discovering and effectively utilizing available programs and tools, and struggling to understand and utilize rich data from various tools. We therefore aim to…

Artificial Intelligence · Computer Science 2026-02-03 Jincheng Bai , Zhenyu Zhang , Jennifer Zhang , Zhihuai Zhu

The rapid advancement of artificial intelligence, particularly autonomous agentic systems based on Large Language Models (LLMs), presents new opportunities to accelerate drug discovery by improving in-silico modeling and reducing dependence…

Benefiting from generalizability of vision-language models (VLMs) such as CLIP, many zero-/few-shot anomaly detection (AD) approaches have achieved impressive detection performance across various datasets. Nevertheless, they require…

Computer Vision and Pattern Recognition · Computer Science 2026-05-29 Yi Zhang , Jiawen Zhu , Lele Fu , Guansong Pang

The exponential growth of scientific literature poses unprecedented challenges for researchers attempting to synthesize knowledge across rapidly evolving fields. We present \textbf{Agentic AutoSurvey}, a multi-agent framework for automated…

Information Retrieval · Computer Science 2025-09-24 Yixin Liu , Yonghui Wu , Denghui Zhang , Lichao Sun

The discovery of novel Ionic Liquids (ILs) is hindered by critical challenges in property prediction, including limited data, poor model accuracy, and fragmented workflows. Leveraging the power of Large Language Models (LLMs), we introduce…

Artificial Intelligence · Computer Science 2025-11-17 Yuqi Yin , Yibo Fu , Siyuan Wang , Peng Sun , Hongyu Wang , Xiaohui Wang , Lei Zheng , Zhiyong Li , Zhirong Liu , Jianji Wang , Zhaoxi Sun

Artificial Intelligence (AI) has become essential in modern healthcare, with large language models (LLMs) offering promising advances in clinical decision-making. Traditional model-based approaches, including those leveraging in-context…

Artificial Intelligence (AI) agents have rapidly evolved from specialized, rule-based programs to versatile, learning-driven autonomous systems capable of perception, reasoning, and action in complex environments. The explosion of data,…

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

AI agents have seen widespread adoption in information retrieval for scientific research, giving rise to tools such as Deep Research. However, existing retrieval agents mainly rely on keyword- or embedding-based methods. While effective at…

Computational Engineering, Finance, and Science · Computer Science 2026-05-25 Chenyang Shao , Fengli Xu , Yong Li

Modern scientific discovery increasingly requires coordinating distributed facilities and heterogeneous resources, forcing researchers to act as manual workflow coordinators rather than scientists. Advances in AI leading to AI agents show…

Artificial Intelligence · Computer Science 2025-09-15 Woong Shin , Renan Souza , Daniel Rosendo , Frédéric Suter , Feiyi Wang , Prasanna Balaprakash , Rafael Ferreira da Silva

The integration of large language models (LLMs) into materials science offers a transformative opportunity to streamline computational workflows, yet current agentic systems remain constrained by rigid, carefully crafted domain-specific…

Materials Science · Physics 2026-04-08 Fengxu Yang , Jack D. Evans

Scientific progress in Earth science depends on integrating data across the planet's interconnected spheres. However, the accelerating volume and fragmentation of multi-sphere knowledge and data have surpassed human analytical capacity.…

Building generalist agents that can handle diverse tasks and evolve themselves across different environments is a long-term goal in the AI community. Large language models (LLMs) are considered a promising foundation to build such agents…

The rapid expansion of e-commerce platforms generates vast amounts of unstructured product data, creating significant challenges for information retrieval, recommendation systems, and data analytics. Knowledge Graphs (KGs) offer a…

Artificial Intelligence · Computer Science 2025-11-17 Dimitar Peshevski , Riste Stojanov , Dimitar Trajanov

Conventional machine learning approaches accelerate inorganic materials design via accurate property prediction and targeted material generation, yet they operate as single-shot models limited by the latent knowledge baked into their…

Materials Science · Physics 2025-08-06 Alireza Ghafarollahi , Markus J. Buehler

As Large Language Models (LLMs) become ubiquitous across various scientific domains, their lack of ability to perform complex tasks like running simulations or to make complex decisions limits their utility. LLM-based agents bridge this gap…

Computation and Language · Computer Science 2026-01-21 Anurag Acharya , Timothy Vega , Rizwan A. Ashraf , Anshu Sharma , Derek Parker , Robert Rallo