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Large language models (LLMs) have demonstrated remarkable capabilities across a range of text-generation tasks. However, LLMs still struggle with problems requiring multi-step decision-making and environmental feedback, such as online…

Artificial Intelligence · Computer Science 2025-02-18 Zhenfang Chen , Delin Chen , Rui Sun , Wenjun Liu , Chuang Gan

Large language models (LLMs) are revolutionizing self driving laboratories (SDLs) for materials research, promising unprecedented acceleration of scientific discovery. However, current SDL implementations rely on rigid protocols that fail…

Many promising-looking ideas in AI research fail to deliver, but their validation takes substantial human labor and compute. Predicting an idea's chance of success is thus crucial for accelerating empirical AI research, a skill that even…

Artificial Intelligence · Computer Science 2025-06-03 Jiaxin Wen , Chenglei Si , Yueh-han Chen , He He , Shi Feng

This article presents a modular, component-based architecture for developing and evaluating AI agents that bridge the gap between natural language interfaces and complex enterprise data warehouses. The system directly addresses core…

Artificial Intelligence · Computer Science 2025-09-30 Nooshin Bahador

Large Language Models are versatile, general-purpose tools with a wide range of applications. Recently, the advent of "reasoning models" has led to substantial improvements in their abilities in advanced problem-solving domains such as…

Machine Learning · Computer Science 2025-07-14 Nicholas T. Runcie , Charlotte M. Deane , Fergus Imrie

Generative AI agents, software systems powered by Large Language Models (LLMs), are emerging as a promising approach to automate cybersecurity tasks. Among the others, penetration testing is a challenging field due to the task complexity…

Cryptography and Security · Computer Science 2024-10-29 Luca Gioacchini , Marco Mellia , Idilio Drago , Alexander Delsanto , Giuseppe Siracusano , Roberto Bifulco

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

Users across enterprises increasingly rely on AI agents to query their data through natural language. However, building reliable data agents remains difficult because real-world data is often fragmented across multiple heterogeneous…

Artificial intelligence (AI) is widely deployed to solve problems related to marketing attribution and budget optimization. However, AI models can be quite complex, and it can be difficult to understand model workings and insights without…

Computation and Language · Computer Science 2024-04-23 Yilin Gao , Sai Kumar Arava , Yancheng Li , James W. Snyder

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

The advancement of artificial intelligence algorithms has expanded their application to several fields such as the biomedical domain. Artificial intelligence systems, including Large Language Models (LLMs), can be particularly advantageous…

Deep Research (DR) is an emerging agent application that leverages large language models (LLMs) to address open-ended queries. It requires the integration of several capabilities, including multi-step reasoning, cross-document synthesis,…

Large language models (LLMs) have emerged as powerful tools in chemistry, significantly impacting molecule design, property prediction, and synthesis optimization. This review highlights LLM capabilities in these domains and their potential…

Machine Learning · Computer Science 2024-11-18 Mayk Caldas Ramos , Christopher J. Collison , Andrew D. White

Artificial Intelligence is moving from models that only generate text to Agentic AI, where systems behave as autonomous entities that can perceive, reason, plan, and act. Large Language Models (LLMs) are no longer used only as passive…

Artificial Intelligence · Computer Science 2026-01-21 Arunkumar V , Gangadharan G. R. , Rajkumar Buyya

Embodied systems, where generative autonomous agents engage with the physical world through integrated perception, cognition, action, and advanced reasoning powered by large language models (LLMs), hold immense potential for addressing…

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

Mental health disorders affect millions worldwide, and healthcare systems are increasingly overwhelmed by the volume of clinical data generated from electronic records, telemedicine platforms, and population-level screening programs. At the…

Artificial Intelligence · Computer Science 2026-05-14 Giuliano Lorenzoni , Paulo Alencar , Donald Cowan

Introduction: Artificial intelligence (AI) is exhibiting tremendous potential to reduce the massive costs and long timescales of drug discovery. There are however important challenges currently limiting the impact and scope of AI models.…

Other Quantitative Biology · Quantitative Biology 2024-09-25 Ghita Ghislat , Saiveth Hernandez-Hernandez , Chayanit Piyawajanusorn , Pedro J. Ballester

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,…

As machine intelligence evolves, the need to test and compare the problem-solving abilities of different AI models grows. However, current benchmarks are often simplistic, allowing models to perform uniformly well and making it difficult to…

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