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Understanding the world and explaining it with scientific theories is a central aspiration of artificial intelligence research. Proposing theories, designing experiments to test them, and then revising them based on data are fundamental to…

Machine Learning · Computer Science 2025-10-16 Kanishk Gandhi , Michael Y. Li , Lyle Goodyear , Agam Bhatia , Louise Li , Aditi Bhaskar , Mohammed Zaman , Noah D. Goodman

Large Language Models (LLMs) are catalyzing a paradigm shift in scientific discovery, evolving from task-specific automation tools into increasingly autonomous agents and fundamentally redefining research processes and human-AI…

Computation and Language · Computer Science 2025-09-18 Tianshi Zheng , Zheye Deng , Hong Ting Tsang , Weiqi Wang , Jiaxin Bai , Zihao Wang , Yangqiu Song

Conversion of raw data into insights and knowledge requires substantial amounts of effort from data scientists. Despite breathtaking advances in Machine Learning (ML) and Artificial Intelligence (AI), data scientists still spend the…

Artificial Intelligence · Computer Science 2019-09-13 Huseyin Uzunalioglu , Jin Cao , Chitra Phadke , Gerald Lehmann , Ahmet Akyamac , Ran He , Jeongran Lee , Maria Able

Self-driving labs are transforming drug discovery by enabling automated, AI-guided experimentation, but they face challenges in orchestrating complex workflows, integrating diverse instruments and AI models, and managing data efficiently.…

Software Engineering · Computer Science 2025-04-02 Yao Fehlis , Paul Mandel , Charles Crain , Betty Liu , David Fuller

Scientific research has long been human-led, driving new knowledge and transformative technologies through the continual revision of questions, methods and claims as evidence accumulates. Although large language model (LLM)-based agents are…

Artificial Intelligence · Computer Science 2026-05-01 Shuxing Yang , Fujia Chen , Rui Zhao , Junyao Wu , Yize Wang , Haiyao Luo , Ning Han , Qiaolu Chen , Yuze Hu , Wenhao Li , Mingzhu Li , Hongsheng Chen , Yihao Yang

As scientific research becomes increasingly complex, innovative tools are needed to manage vast data, facilitate interdisciplinary collaboration, and accelerate discovery. Large language models (LLMs) are now evolving into LLM-based…

Artificial Intelligence · Computer Science 2026-02-03 Shuo Ren , Can Xie , Pu Jian , Zhenjiang Ren , Chunlin Leng , Jiajun Zhang

Large language models (LLMs) are increasingly used in scientific writing but struggle with book-length tasks, often producing inconsistent structure and unreliable citations. We introduce CoAuthorAI, a human-in-the-loop writing system that…

Computation and Language · Computer Science 2026-04-23 Yangjie Tian , Xungang Gu , Yun Zhao , Jiale Yang , Lin Yang , Ning Li , He Zhang , Ruohua Xu , Hua Wang , Kewen Liao , Ming Liu

Commonsense knowledge is crucial for artificial intelligence systems to understand natural language. Previous commonsense knowledge acquisition approaches typically rely on human annotations (for example, ATOMIC) or text generation models…

Computation and Language · Computer Science 2021-02-19 Tianqing Fang , Hongming Zhang , Weiqi Wang , Yangqiu Song , Bin He

This paper demonstrates that artificial intelligence can accelerate mathematical discovery by autonomously solving an open problem in theoretical physics. We present a neuro-symbolic system, combining the Gemini Deep Think large language…

Artificial Intelligence · Computer Science 2026-03-06 Michael P. Brenner , Vincent Cohen-Addad , David Woodruff

We introduce Aster, an AI agent for autonomous scientific discovery capable of operating over 20 times faster than existing frameworks. Given a task, an initial program, and a script to evaluate the performance of the program, Aster…

Artificial Intelligence · Computer Science 2026-02-10 Emmett Bicker

Recent autonomous LLM agents have demonstrated end-to-end automation of machine-learning research. Real-world physical science is intrinsically harder, requiring deep reasoning bounded by physical truth and, because real systems are too…

Computational Physics · Physics 2026-04-15 Haonan Huang

The current landscape of AI for Science (AI4S) is predominantly anchored in large-scale textual corpora, where generative AI systems excel at hypothesis generation, literature search, and multi-modal reasoning. However, a critical…

Scientific workflow systems automate execution -- scheduling, fault tolerance, resource management -- but not the semantic translation that precedes it. Scientists still manually convert research questions into workflow specifications, a…

Artificial Intelligence · Computer Science 2026-04-24 Bartosz Balis , Michal Orzechowski , Piotr Kica , Michal Dygas , Michal Kuszewski

Data science and machine learning (DS/ML) are at the heart of the recent advancements of many Artificial Intelligence (AI) applications. There is an active research thread in AI, \autoai, that aims to develop systems for automating…

Machine Learning · Computer Science 2021-01-12 Dakuo Wang , Q. Vera Liao , Yunfeng Zhang , Udayan Khurana , Horst Samulowitz , Soya Park , Michael Muller , Lisa Amini

We present a method for the automated discovery of system-level dynamics in Flow-Lenia--a continuous cellular automaton (CA) with mass conservation and parameter localization-using a curiosity--driven AI scientist. This method aims to…

Artificial Intelligence · Computer Science 2026-01-30 Thomas Michel , Marko Cvjetko , Gautier Hamon , Pierre-Yves Oudeyer , Clément Moulin-Frier

Data-driven algorithmic matching systems promise to help human decision makers make better matching decisions in a wide variety of high-stakes application domains, such as healthcare and social service provision. However, existing systems…

Machine Learning · Computer Science 2025-08-20 Adrian Arnaiz-Rodriguez , Nina Corvelo Benz , Suhas Thejaswi , Nuria Oliver , Manuel Gomez-Rodriguez

AI agents increasingly excel at generating, testing, and refining code. However, they fall short on tasks requiring formal guarantees of full coverage that testing alone cannot provide. Distributed systems are a prime example: properties…

The scientific research paradigm is undergoing a profound transformation owing to the development of Artificial Intelligence (AI). Recent works demonstrate that various AI-assisted research methods can largely improve research efficiency by…

Artificial Intelligence · Computer Science 2025-04-10 Jiakang Yuan , Xiangchao Yan , Shiyang Feng , Bo Zhang , Tao Chen , Botian Shi , Wanli Ouyang , Yu Qiao , Lei Bai , Bowen Zhou

The rapid growth of scientific literature makes it challenging for researchers to identify novel and impactful ideas, especially across disciplines. Modern artificial intelligence (AI) systems offer new approaches, potentially inspiring…

Artificial Intelligence · Computer Science 2025-01-09 Xuemei Gu , Mario Krenn

A key challenge in artificial intelligence is the creation of systems capable of autonomously advancing scientific understanding by exploring novel domains, identifying complex patterns, and uncovering previously unseen connections in vast…

Artificial Intelligence · Computer Science 2024-09-10 Alireza Ghafarollahi , Markus J. Buehler
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