Discovering causal relations and equations from data

G Camps-Valls, A Gerhardus, U Ninad, G Varando… - Physics Reports, 2023 - Elsevier
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 …

AI-driven research in pure mathematics and theoretical physics

YH He - Nature Reviews Physics, 2024 - nature.com
The past five years have seen a dramatic increase in the usage of artificial intelligence (AI)
algorithms in pure mathematics and theoretical sciences. This might appear counter-intuitive …

Nature of metal-support interaction for metal catalysts on oxide supports

T Wang, J Hu, R Ouyang, Y Wang, Y Huang, S Hu… - Science, 2024 - science.org
The metal-support interaction is one of the most important pillars in heterogeneous catalysis,
but develo** a fundamental theory has been challenging because of the intricate …

Evolving scientific discovery by unifying data and background knowledge with AI Hilbert

R Cory-Wright, C Cornelio, S Dash, B El Khadir… - Nature …, 2024 - nature.com
The discovery of scientific formulae that parsimoniously explain natural phenomena and
align with existing background theory is a key goal in science. Historically, scientists have …

3D molecular generative framework for interaction-guided drug design

W Zhung, H Kim, WY Kim - Nature Communications, 2024 - nature.com
Deep generative modeling has a strong potential to accelerate drug design. However,
existing generative models often face challenges in generalization due to limited data …

An interdisciplinary survey on origin-destination flows modeling: Theory and techniques

C Rong, J Ding, Y Li - ACM Computing Surveys, 2024 - dl.acm.org
Origin-destination (OD) flow modeling is an extensively researched subject across multiple
disciplines, such as the investigation of travel demand in transportation and spatial …

AI-Lorenz: A physics-data-driven framework for black-box and gray-box identification of chaotic systems with symbolic regression

M De Florio, IG Kevrekidis, GE Karniadakis - Chaos, Solitons & Fractals, 2024 - Elsevier
Discovering mathematical models that characterize the observed behavior of dynamical
systems remains a major challenge, especially for systems in a chaotic regime, due to their …

Automating the practice of science: Opportunities, challenges, and implications

S Musslick, LK Bartlett, SH Chandramouli… - Proceedings of the …, 2025 - pnas.org
Automation transformed various aspects of our human civilization, revolutionizing industries
and streamlining processes. In the domain of scientific inquiry, automated approaches …

AI-Aristotle: A physics-informed framework for systems biology gray-box identification

N Ahmadi Daryakenari, M De Florio… - PLOS Computational …, 2024 - journals.plos.org
Discovering mathematical equations that govern physical and biological systems from
observed data is a fundamental challenge in scientific research. We present a new physics …

Interpretable Machine Learning for Catalytic Materials Design toward Sustainability

H **n, T Mou, HS Pillai, SH Wang… - Accounts of Materials …, 2023 - ACS Publications
Conspectus Finding catalytic materials with optimal properties for sustainable chemical and
energy transformations is one of the pressing challenges facing our society today …