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Scientific discovery increasingly entails long-horizon exploration of complex hypothesis spaces, yet most existing approaches emphasize final performance while offering limited insight into how scientific exploration unfolds over time,…

We develop a general approach to distill symbolic representations of a learned deep model by introducing strong inductive biases. We focus on Graph Neural Networks (GNNs). The technique works as follows: we first encourage sparse latent…

Machine Learning · Computer Science 2020-11-19 Miles Cranmer , Alvaro Sanchez-Gonzalez , Peter Battaglia , Rui Xu , Kyle Cranmer , David Spergel , Shirley Ho

Artificial intelligence has demonstrated remarkable capability in predicting scientific properties, yet scientific discovery remains an inherently physical, long-horizon pursuit governed by experimental cycles. Most current computational…

Artificial Intelligence · Computer Science 2026-03-23 Xiang Zhuang , Chenyi Zhou , Kehua Feng , Zhihui Zhu , Yunfan Gao , Yijie Zhong , Yichi Zhang , Junjie Huang , Keyan Ding , Lei Bai , Haofen Wang , Qiang Zhang , Huajun Chen

Artificial intelligence (AI) is influencing heterogeneous catalysis research by accelerating simulations and materials discovery. A key frontier is integrating AI with multiscale models and multimodal experiments to address the…

Chemical Physics · Physics 2025-10-23 Andrew J. Medford , Todd N. Whittaker , Bjarne Kreitz , David W. Flaherty , John R. Kitchin

Artificial Intelligence is a field that lives many lives, and the term has come to encompass a motley collection of scientific and commercial endeavours. In this paper, I articulate the contours of a rather neglected but central scientific…

Artificial Intelligence · Computer Science 2024-08-19 Dimitri Coelho Mollo

Significant advances have been made in predicting new topological materials using high-throughput empirical descriptors or symmetry-based indicators. To date, these approaches have been applied to materials in existing databases, and are…

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

Any act of problem-solving combines prior knowledge, local search, and a third element that is less often discussed: the extraction of information from search to update understanding. I propose a model of mathematical problem-solving as a…

History and Overview · Mathematics 2026-03-11 Asvin G

We present \textbf{DeepInflation}, an AI agent designed for research and model discovery in inflationary cosmology. Built upon a multi-agent architecture, \textbf{DeepInflation} integrates Large Language Models (LLMs) with a symbolic…

Cosmology and Nongalactic Astrophysics · Physics 2026-01-22 Ze-Yu Peng , Hao-Shi Yuan , Qi Lai , Jun-Qian Jiang , Gen Ye , Jun Zhang , Yun-Song Piao

This study explores the integration of generative artificial intelligence (AI), specifically large language models, with multi-modal analogical reasoning as an innovative approach to enhance science, technology, engineering, and mathematics…

Artificial Intelligence · Computer Science 2023-08-22 Chen Cao , Zijian Ding , Gyeong-Geon Lee , Jiajun Jiao , Jionghao Lin , Xiaoming Zhai

Can AI accelerate the development of AI itself? While recent agentic systems have shown strong performance on well-scoped tasks with rapid feedback, it remains unclear whether they can tackle the costly, long-horizon, and weakly supervised…

Artificial Intelligence · Computer Science 2026-04-01 Weixian Xu , Tiantian Mi , Yixiu Liu , Yang Nan , Zhimeng Zhou , Lyumanshan Ye , Lin Zhang , Yu Qiao , Pengfei Liu

How can we use AI to discover a new state of the art for a scientific problem? Prior work in test-time scaling, such as AlphaEvolve, performs search by prompting a frozen LLM. We perform reinforcement learning at test time, so the LLM can…

The rapid growth of scientific literature imposes significant challenges for researchers endeavoring to stay updated with the latest advancements in their fields and delve into new areas. We introduce OpenResearcher, an innovative platform…

High school physics competitions serve as a platform for talented students to showcase their skills, engage in challenging problems, and foster a passion for science. This paper explores innovative approaches to enhance these competitions…

Physics Education · Physics 2024-03-21 Dominik Borovský , Jozef Hanč , Martina Hančová

This review aims to contribute to the quest for artificial general intelligence by examining neuroscience and cognitive psychology methods for potential inspiration. Despite the impressive advancements achieved by deep learning models in…

Artificial Intelligence · Computer Science 2024-01-23 Florin Leon

Recent advances in artificial intelligence (AI) agents are pushing AI beyond tools toward autonomous scientific discovery. We discuss two complementary agentic systems for cosmology: \texttt{CMBEvolve}, which targets tasks with explicit…

Instrumentation and Methods for Astrophysics · Physics 2026-05-15 Licong Xu , Thomas Borrett

As automated reasoning systems advance rapidly, there is a growing need for research-level formal mathematical problems to accurately evaluate their capabilities. To address this, we present Formal Conjectures, an evolving benchmark of…

One crucial question within artificial intelligence research is how this technology can be used to discover new scientific concepts and ideas. We present Theseus, an explainable AI algorithm that can contribute to science at a conceptual…

Quantum Physics · Physics 2021-09-01 Mario Krenn , Jakob Kottmann , Nora Tischler , Alán Aspuru-Guzik

We investigate the use of machine learning for solving analytic problems in theoretical physics. In particular, symbolic regression (SR) is making rapid progress in recent years as a tool to fit data using functions whose overall form is…

Computational Physics · Physics 2024-03-21 Sahel Ashhab

Neurosymbolic AI is an increasingly active area of research that combines symbolic reasoning methods with deep learning to leverage their complementary benefits. As knowledge graphs are becoming a popular way to represent heterogeneous and…

Artificial Intelligence · Computer Science 2025-01-13 Lauren Nicole DeLong , Ramon Fernández Mir , Jacques D. Fleuriot
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