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Conservation laws are an inherent feature in many systems modeling real world phenomena, in particular, those modeling biological and chemical systems. If the form of the underlying dynamical system is known, linear algebra and algebraic…

Numerical Analysis · Mathematics 2024-03-11 Tracey Oellerich , Maria Emelianenko

Traditional scientific discovery relies on an iterative hypothesise-experiment-refine cycle that has driven progress for centuries, but its intuitive, ad-hoc implementation often wastes resources, yields inefficient designs, and misses…

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

The scientific method is the cornerstone of human progress across all branches of the natural and applied sciences, from understanding the human body to explaining how the universe works. The scientific method is based on identifying…

Artificial Intelligence · Computer Science 2025-02-28 Gianmarco Mengaldo

The discovery of conservation laws is a cornerstone of scientific progress. However, identifying these invariants from observational data remains a significant challenge. We propose a hybrid framework to automate the discovery of conserved…

Machine Learning · Computer Science 2025-11-04 Vivan Doshi

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

Data driven discovery of partial differential equations (PDEs) is a promising approach for uncovering the underlying laws governing complex systems. However, purely data driven techniques face the dilemma of balancing search space with…

Machine Learning · Computer Science 2025-05-12 Hao Xu , Yuntian Chen , Rui Cao , Tianning Tang , Mengge Du , Jian Li , Adrian H. Callaghan , Dongxiao Zhang

AI policy should advance AI innovation by ensuring that its potential benefits are responsibly realized and widely shared. To achieve this, AI policymaking should place a premium on evidence: Scientific understanding and systematic analysis…

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…

Physics is a field of science that has traditionally used the scientific method to answer questions about why natural phenomena occur and to make testable models that explain the phenomena. Discovering equations, laws and principles that…

A suite of impressive scientific discoveries have been driven by recent advances in artificial intelligence. These almost all result from training flexible algorithms to solve difficult optimization problems specified in advance by teams of…

Artificial Intelligence · Computer Science 2024-12-18 Ruairidh M. Battleday , Samuel J. Gershman

Symbolic regression is a powerful tool for knowledge discovery, enabling the extraction of interpretable mathematical expressions directly from data. However, conventional symbolic discovery typically follows an end-to-end, "one-step"…

Machine Learning · Computer Science 2026-03-17 Mingkun Xia , Weiwei Zhang

In differential equation discovery algorithms, a priori expert knowledge is mainly used implicitly to constrain the form of the expected equation, making it impossible for the algorithm to truly discover equations. Instead, most…

Artificial Intelligence · Computer Science 2025-01-03 Elizaveta Ivanchik , Alexander Hvatov

Keeping track of scientific challenges, advances and emerging directions is a fundamental part of research. However, researchers face a flood of papers that hinders discovery of important knowledge. In biomedicine, this directly impacts…

Research around AI for Science has seen significant success since the rise of deep learning models over the past decade, even with longstanding challenges such as protein structure prediction. However, this fast development inevitably made…

Artificial Intelligence · Computer Science 2022-12-27 Kieran Didi , Matej Zečević

The search for physics beyond the Standard Model is hindered by a combinatorial explosion of possible theories. We introduce \textsc{Albert}, a neuro-symbolic artificial intelligence framework to systematically navigate this vast theory…

High Energy Physics - Phenomenology · Physics 2026-04-01 Stephon Alexander , Benjamin Bradley , Loukas Gouskos , Cooper Niu

Understanding quantum phenomena which go beyond classical concepts is a focus of modern quantum physics. Here, we show how the theory of nonnegative polynomials emerging around Hilbert's 17th problem, can be used to optimally exploit data…

The dream of building machines that can do science has inspired scientists for decades. Remarkable advances have been made recently; however, we are still far from achieving this goal. In this paper, we focus on the scientific discovery…

Artificial Intelligence · Computer Science 2022-03-15 Abdullah Khalili , Abdelhamid Bouchachia

Despite the fact that our physical observations can often be described by derived physical laws, such as the wave equation, in many cases, we observe data that do not match the laws or have not been described physically yet. Therefore…

Geophysics · Physics 2023-09-26 Shijun Cheng , Tariq Alkhalifah

Deriving governing equations from empirical observations is a longstanding challenge in science. Although artificial intelligence (AI) has demonstrated substantial capabilities in function approximation, the discovery of explainable and…

Artificial Intelligence · Computer Science 2026-05-01 Gyoung S. Na , Chanyoung Park