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The rapid evolution of artificial intelligence has led to expectations of transformative impact on science, yet current systems remain fundamentally limited in enabling genuine scientific discovery. This perspective contends that progress…

Artificial Intelligence · Computer Science 2025-12-16 Karthik Duraisamy

Artificial Intelligence has proven to be a transformative tool for advancing scientific research across a wide range of disciplines. However, a significant gap still exists between AI and scientific communities, limiting the full potential…

Artificial Intelligence · Computer Science 2025-02-19 Yutong Xie , Yijun Pan , Hua Xu , Qiaozhu Mei

As AI promises to accelerate scientific discovery, it remains unclear whether fully AI-driven research is possible and whether it can adhere to key scientific values, such as transparency, traceability and verifiability. Mimicking human…

Other Quantitative Biology · Quantitative Biology 2024-04-30 Tal Ifargan , Lukas Hafner , Maor Kern , Ori Alcalay , Roy Kishony

The Science of Science (SoS) explores the mechanisms underlying scientific discovery, and offers valuable insights for enhancing scientific efficiency and fostering innovation. Traditional approaches often rely on simplistic assumptions and…

Artificial Intelligence · Computer Science 2025-05-20 Renqi Chen , Haoyang Su , Shixiang Tang , Zhenfei Yin , Qi Wu , Hui Li , Ye Sun , Nanqing Dong , Wanli Ouyang , Philip Torr

Peer review remains the central quality-control mechanism of science, yet its ability to fulfill this role is increasingly strained. Empirical studies document serious shortcomings: long publication delays, escalating reviewer burden…

Artificial intelligence (AI) is reshaping scientific discovery, evolving from specialized computational tools into autonomous research partners. We position Agentic Science as a pivotal stage within the broader AI for Science paradigm,…

Artificial intelligence (AI) is reshaping how research is conceived, conducted, and communicated across fields from chemistry to biomedicine. This commentary examines how AI is transforming the research workflow. AI systems now help…

Artificial Intelligence · Computer Science 2025-11-14 Maksim E. Eren , Dorianis M. Perez

Catalysts are essential for accelerating chemical reactions and enhancing selectivity, which is crucial for the sustainable production of energy, materials, and bioactive compounds. Catalyst discovery is fundamental yet challenging in…

Computational Engineering, Finance, and Science · Computer Science 2025-02-20 Yuanyuan Xu , Hanchen Wang , Wenjie Zhang , Lexing Xie , Yin Chen , Flora Salim , Ying Zhang , Justin Gooding , Toby Walsh

This article argues that the most important significance of the AI revolution, especially the rise of large language models, lies not simply in automation, but in a fundamental change in how complex information and human know-how are…

Artificial Intelligence · Computer Science 2026-04-17 Xiao-Liang Qi

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

As artificial intelligence (AI) gains greater adoption in a wide variety of applications, it has immense potential to contribute to mathematical discovery, by guiding conjecture generation, constructing counterexamples, assisting in…

Artificial Intelligence · Computer Science 2023-10-27 Hassen Saidi , Susmit Jha , Tuhin Sahai

Computing has long served as a cornerstone of scientific discovery. Recently, a paradigm shift has emerged with the rise of large language models (LLMs), introducing autonomous systems, referred to as agents, that accelerate discovery…

Verification is one of the central tasks in circuit and system design. While simulation and emulation are widely used, complete correctness can only be ensured based on formal proof techniques. But these approaches often have very high run…

Logic in Computer Science · Computer Science 2025-05-30 Rolf Drechsler

Rapid development of artificial intelligence has drastically accelerated the development of scientific discovery. Trained with large-scale observation data, deep neural networks extract the underlying patterns in an end-to-end manner and…

Machine Learning · Computer Science 2024-11-26 Zijun Liu , Kaiming Liu , Yiqi Zhu , Xuanyu Lei , Zonghan Yang , Zhenhe Zhang , Peng Li , Yang Liu

Large language models (LLMs) have exhibited exceptional capabilities in natural language understanding and generation, image recognition, and multimodal tasks, charting a course towards AGI and emerging as a central issue in the global…

Computation and Language · Computer Science 2025-11-20 Guoqiang Liang , Jingqian Gong , Mengxuan Li , Gege Lin , Shuo Zhang

Large Language Models (LLMs) have revolutionized the domain of natural language processing (NLP) with remarkable capabilities of generating human-like text responses. However, despite these advancements, several works in the existing…

Computation and Language · Computer Science 2023-10-25 Soumya Suvra Ghosal , Souradip Chakraborty , Jonas Geiping , Furong Huang , Dinesh Manocha , Amrit Singh Bedi

The growing adoption of large language models in legal practice brings both significant promise and serious risk. Legal professionals stand to benefit from AI that can reason over contracts, draft documents, and analyze sources at scale,…

Artificial Intelligence · Computer Science 2026-05-15 Olivia Peiyu Wang , Leilani H. Gilpin

Large Language Models (LLMs) are transforming scientific hypothesis generation and validation by enabling information synthesis, latent relationship discovery, and reasoning augmentation. This survey provides a structured overview of…

Artificial intelligence (AI) has acquired notorious relevance in modern computing as it effectively solves complex tasks traditionally done by humans. AI provides methods to represent and infer knowledge, efficiently manipulate texts and…

Information Retrieval · Computer Science 2024-01-23 José de la Torre-López , Aurora Ramírez , José Raúl Romero