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The exponential growth of academic publications poses challenges for the research process, such as literature review and procedural planning. Large Language Models (LLMs) have emerged as powerful AI tools, especially when combined with…

Applied Physics · Physics 2025-02-13 Joaquin Ramirez-Medina , Mohammadmehdi Ataei , Alidad Amirfazli

Large language models are increasingly deployed as autonomous coding agents and have achieved remarkably strong performance on software engineering benchmarks. However, it is unclear whether such success transfers to computational…

Computational developments--particularly artificial intelligence--are reshaping social scientific research and raise new questions for in-depth methods such as ethnography and qualitative interviewing. Building on classic debates about…

Computers and Society · Computer Science 2025-11-13 Corey M. Abramson , Tara Prendergast , Zhuofan Li , Daniel Dohan

Scientific research is being reshaped by AI systems that move beyond isolated assistance toward longer-horizon workflows spanning literature grounding, hypothesis generation, experimentation, validation, reporting, and revision. This shift…

Data science aims to extract insights from data to support decision-making processes. Recently, Large Language Models (LLMs) have been increasingly used as assistants for data science, by suggesting ideas, techniques and small code…

Artificial Intelligence · Computer Science 2025-10-23 Irene Testini , José Hernández-Orallo , Lorenzo Pacchiardi

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

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

Artificial intelligence is undergoing a profound transition from a computational instrument to an autonomous originator of scientific knowledge. This emerging paradigm, the AI scientist, is architected to emulate the complete scientific…

Artificial Intelligence · Computer Science 2026-01-21 Guiyao Tie , Pan Zhou , Lichao Sun

Conventional biomedical research is increasingly labor-intensive due to the exponential growth of scientific literature and datasets. Artificial intelligence (AI), particularly Large Language Models (LLMs), has the potential to…

Multiagent Systems · Computer Science 2025-07-08 Yi Luo , Linghang Shi , Yihao Li , Aobo Zhuang , Yeyun Gong , Ling Liu , Chen Lin

Large Language Models (LLMs) have emerged as powerful tools for accelerating scientific discovery, yet their static knowledge and hallucination issues hinder autonomous research applications. Recent advances integrate LLMs into agentic…

Artificial Intelligence · Computer Science 2025-12-23 Zeyu Xia , Jinzhe Ma , Congjie Zheng , Shufei Zhang , Yuqiang Li , Hang Su , P. Hu , Changshui Zhang , Xingao Gong , Wanli Ouyang , Lei Bai , Dongzhan Zhou , Mao Su

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…

Artificial intelligence and machine learning are reshaping how we approach scientific discovery, not by replacing established methods but by extending what researchers can probe, predict, and design. In this roadmap we provide a…

The automation of scientific discovery represents a critical milestone in Artificial Intelligence (AI) research. However, existing agentic systems for science suffer from two fundamental limitations: rigid, pre-programmed workflows that…

Artificial Intelligence · Computer Science 2025-10-20 Ed Li , Junyu Ren , Xintian Pan , Cat Yan , Chuanhao Li , Dirk Bergemann , Zhuoran Yang

Millions of people take surveys every day, from market polls and academic studies to medical questionnaires and customer feedback forms. These datasets capture valuable insights, but their scale and structure present a unique challenge for…

Artificial Intelligence · Computer Science 2025-10-31 Duc-Hai Nguyen , Vijayakumar Nanjappan , Barry O'Sullivan , Hoang D. Nguyen

The emerging paradigm of AI co-scientists focuses on tasks characterized by repeatable verification, where agents explore search spaces in 'guess and check' loops. This paradigm does not extend to problems where repeated evaluation is…

Machine Learning (ML) models are trained using historical data to classify new, unseen data. However, traditional computing resources often struggle to handle the immense amount of data, commonly known as Big Data, within a reasonable time…

Quantum Physics · Physics 2024-11-01 Minati Rath , Hema Date

The use of artificial intelligence (AI) in research across all disciplines is becoming ubiquitous. However, this ubiquity is largely driven by hyperspecific AI models developed during scientific studies for accomplishing a well-defined,…

Computers and Society · Computer Science 2023-12-19 Rishab Jain , Aditya Jain

Fully automated self-driving laboratories are promising to enable high-throughput and large-scale scientific discovery by reducing repetitive labour. However, effective automation requires deep integration of laboratory knowledge, which is…

Artificial Intelligence · Computer Science 2025-09-30 Shuxiang Cao , Zijian Zhang , Mohammed Alghadeer , Simone D Fasciati , Michele Piscitelli , Mustafa Bakr , Peter Leek , Alán Aspuru-Guzik

The exponential growth of scientific knowledge has created significant barriers to cross-disciplinary knowledge discovery, synthesis and research collaboration. In response to this challenge, we present BioSage, a novel compound AI…

Generative AI, especially through large language models (LLMs), is transforming how technical knowledge can be accessed, reused, and extended. PETSc, a widely used numerical library for high-performance scientific computing, has accumulated…