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Large Language Model (LLM) agents have shown great potential in addressing real-world data science problems. LLM-driven data science agents promise to automate the entire machine learning pipeline, yet their real-world effectiveness remains…

Computation and Language · Computer Science 2025-10-09 Yixin Ou , Yujie Luo , Jingsheng Zheng , Lanning Wei , Zhuoyun Yu , Shuofei Qiao , Jintian Zhang , Da Zheng , Yuren Mao , Yunjun Gao , Huajun Chen , Ningyu Zhang

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…

AI agents hold growing promise for accelerating scientific discovery; yet, a lack of frontier evaluations hinders adoption into real workflows. Expert-written benchmarks have proven effective at measuring AI reasoning, but most at this…

The construction industry is characterized by both high physical and psychological risks, yet supports of mental health remain limited. While advancements in artificial intelligence (AI), particularly large language models (LLMs), offer…

Human-Computer Interaction · Computer Science 2025-06-10 Fan Yang , Yuan Tian , Jiansong Zhang

The rapid evolution of artificial intelligence, particularly large language models, presents unprecedented opportunities for materials science research. We proposed and developed an AI materials scientist named MatPilot, which has shown…

Physics and Society · Physics 2024-11-14 Ziqi Ni , Yahao Li , Kaijia Hu , Kunyuan Han , Ming Xu , Xingyu Chen , Fengqi Liu , Yicong Ye , Shuxin Bai

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

In the rapidly evolving field of artificial intelligence, the ability to harness and integrate knowledge across various domains stands as a paramount challenge and opportunity. This study introduces a novel approach to cross-domain…

Discovering new medicines is the hallmark of human endeavor to live a better and longer life. Yet the pace of discovery has slowed down as we need to venture into more wildly unexplored biomedical space to find one that matches today's high…

Artificial Intelligence · Computer Science 2022-02-16 Tri Minh Nguyen , Thin Nguyen , Truyen Tran

We present the AI Cosmologist, an agentic system designed to automate cosmological/astronomical data analysis and machine learning research workflows. This implements a complete pipeline from idea generation to experimental evaluation and…

Instrumentation and Methods for Astrophysics · Physics 2025-04-07 Adam Moss

This technical brief introduces Deep Agent, an advanced autonomous AI system designed to manage complex multi-phase tasks through a novel hierarchical task management architecture. The system's foundation is built on our Hierarchical Task…

Artificial Intelligence · Computer Science 2025-02-12 Amy Yu , Erik Lebedev , Lincoln Everett , Xiaoxin Chen , Terry Chen

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

Can AI accelerate the development of AI itself? While recent agentic systems have shown strong performance on well-scoped tasks with rapid feedback, it remains unclear whether they can tackle the costly, long-horizon, and weakly supervised…

Artificial Intelligence · Computer Science 2026-04-01 Weixian Xu , Tiantian Mi , Yixiu Liu , Yang Nan , Zhimeng Zhou , Lyumanshan Ye , Lin Zhang , Yu Qiao , Pengfei Liu

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…

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…

Advancements in retrieving accessible information have evolved faster in the last few years compared to the decades since the internet's creation. Search engines, like Google, have been the number one way to find relevant data. They have…

Information Retrieval · Computer Science 2025-03-28 Karanbir Singh , William Ngu

Critical domain knowledge typically resides with few experts, creating organizational bottlenecks in scalability and decision-making. Non-experts struggle to create effective visualizations, leading to suboptimal insights and diverting…

Human decision-making is plagued by many systematic errors. Many of these errors can be avoided by providing decision aids that guide decision-makers to attend to the important information and integrate it according to a rational decision…

Artificial Intelligence · Computer Science 2022-07-20 Frederic Becker , Julian Skirzyński , Bas van Opheusden , Falk Lieder

The rapid growth of AI agent ecosystems is transforming how complex tasks are delegated and executed, creating a new challenge of identifying suitable agents for a given task. Unlike traditional tools, agent capabilities are often…

Artificial Intelligence · Computer Science 2026-04-27 Bin Wu , Arastun Mammadli , Xiaoyu Zhang , Emine Yilmaz

Traditional Data+AI systems utilize data-driven techniques to optimize performance, but they rely heavily on human experts to orchestrate system pipelines, enabling them to adapt to changes in data, queries, tasks, and environments. For…

Databases · Computer Science 2025-07-03 Zhaoyan Sun , Jiayi Wang , Xinyang Zhao , Jiachi Wang , Guoliang Li

Artificial Intelligence (AI) systems based solely on neural networks or symbolic computation present a representational complexity challenge. While minimal representations can produce behavioral outputs like locomotion or simple…

Neurons and Cognition · Quantitative Biology 2022-10-19 Bradly Alicea , Jesse Parent
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