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LLM-based agents are rapidly being adopted for scientific data analysis, automating tasks once limited by human time and expertise. This capability is often framed as an acceleration of discovery, but it also accelerates a familiar failure…

Artificial Intelligence · Computer Science 2026-05-21 Dionizije Fa , Marko Culjak

Data contracts formalize agreements between data producers and consumers regarding schema, semantics, and quality expectations. As data pipelines grow in complexity, manual authoring and maintenance of contracts becomes error-prone and…

Databases · Computer Science 2025-07-30 Harshraj Bhoite

Advancements in machine learning and artificial intelligence are transforming materials discovery. Yet, the availability of structured experimental data remains a bottleneck. The vast corpus of scientific literature presents a valuable and…

Artificial Intelligence · Computer Science 2023-12-20 Mehrad Ansari , Seyed Mohamad Moosavi

Historically, scientific discovery has been a lengthy and costly process, demanding substantial time and resources from initial conception to final results. To accelerate scientific discovery, reduce research costs, and improve research…

Human-Computer Interaction · Computer Science 2025-06-18 Samuel Schmidgall , Yusheng Su , Ze Wang , Ximeng Sun , Jialian Wu , Xiaodong Yu , Jiang Liu , Michael Moor , Zicheng Liu , Emad Barsoum

Autonomous multi-agent AI systems are poised to transform various industries, particularly software development and knowledge work. Understanding current perceptions among professionals is crucial for anticipating adoption challenges,…

Computers and Society · Computer Science 2025-06-04 Nikola Balic

The increasing adoption of Large Language Models (LLMs) has enabled AI scientists to perform complex end-to-end scientific discovery tasks requiring coordination of specialized roles, including idea generation and experimental execution.…

Computation and Language · Computer Science 2026-03-10 Yougang Lyu , Xi Zhang , Xinhao Yi , Yuyue Zhao , Shuyu Guo , Wenxiang Hu , Jan Piotrowski , Jakub Kaliski , Jacopo Urbani , Zaiqiao Meng , Lun Zhou , Xiaohui Yan

AI agents could accelerate scientific discovery by automating hypothesis formation, experiment design, coding, execution, and analysis, yet existing benchmarks probe narrow skills in simplified settings. To address this gap, we introduce…

The evolution of Large Language Models (LLMs) from passive text generators to autonomous, goal-driven systems represents a fundamental shift in artificial intelligence. This chapter examines the emergence of agentic AI systems that…

Artificial Intelligence · Computer Science 2026-01-07 Nadia Sibai , Yara Ahmed , Serry Sibaee , Sawsan AlHalawani , Adel Ammar , Wadii Boulila

Artificial Intelligence (AI) is taking on increasingly autonomous roles, e.g., browsing the web as a research assistant and managing money. But specifying goals and restrictions for AI behavior is difficult. Similar to how parties to a…

Computation and Language · Computer Science 2023-01-31 John J. Nay

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

Large language models (LLMs) have significantly transformed the landscape of artificial intelligence by demonstrating their ability in generating human-like text across diverse topics. However, despite their impressive capabilities, LLMs…

The history of Artificial Intelligence (AI) is a narrative of waves -- rising optimism followed by crashing disappointments. AI winters, such as the early 2000s, are often remembered as barren periods of innovation. This paper argues that…

Social and Information Networks · Computer Science 2025-05-26 Tapio Pitkäranta , Eero Hyvönen

Training AI models has always been challenging, especially when there is a need for custom models to provide personalized services. Algorithm engineers often face a lengthy process to iteratively develop models tailored to specific business…

Artificial Intelligence · Computer Science 2023-11-27 Haoyuan Li , Hao Jiang , Tianke Zhang , Zhelun Yu , Aoxiong Yin , Hao Cheng , Siming Fu , Yuhao Zhang , Wanggui He

Large language models (LLMs) are revolutionizing healthcare by improving diagnosis, patient care, and decision support through interactive communication. More recently, they have been applied to analyzing physiological time-series like…

Computation and Language · Computer Science 2025-04-30 Mohammad Feli , Iman Azimi , Pasi Liljeberg , Amir M. Rahmani

Large language models (LLMs) offer significant promise as a knowledge source for task learning. Prompt engineering has been shown to be effective for eliciting knowledge from an LLM, but alone it is insufficient for acquiring relevant,…

Artificial Intelligence · Computer Science 2024-02-21 James R. Kirk , Robert E. Wray , Peter Lindes , John E. Laird

Artificial intelligence systems are transforming scientific discovery by accelerating specific research tasks, from protein structure prediction to materials design, yet remain confined to narrow domains requiring substantial human…

Artificial Intelligence · Computer Science 2026-01-30 Gabrielle Wehr , Reuben Rideaux , Amaya J. Fox , David R. Lightfoot , Jason Tangen , Jason B. Mattingley , Shane E. Ehrhardt

Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

Machine Learning · Computer Science 2025-03-06 Sizhe Liu , Yizhou Lu , Siyu Chen , Xiyang Hu , Jieyu Zhao , Yingzhou Lu , Yue Zhao

Data-driven scientific discovery requires the iterative integration of scientific domain knowledge, statistical expertise, and an understanding of data semantics to make nuanced analytical decisions, e.g., about which variables,…

We define Agency as the emergent capacity of AI systems to function as autonomous agents actively discovering problems, formulating hypotheses, and executing solutions through self-directed engagement with environments and tools. This…

The growing complexity of power systems has made accurate load forecasting more important than ever. An increasing number of advanced load forecasting methods have been developed. However, the static design of current methods offers no…

Machine Learning · Computer Science 2025-05-23 Yu Zuo , Dalin Qin , Yi Wang