Artificial intelligence for science in quantum, atomistic, and continuum systems

X Zhang, L Wang, J Helwig, Y Luo, C Fu, Y Xie… - arXiv preprint arXiv …, 2023 - arxiv.org
Advances in artificial intelligence (AI) are fueling a new paradigm of discoveries in natural
sciences. Today, AI has started to advance natural sciences by improving, accelerating, and …

Mixtures Recomposition by Neural Nets: A Multidisciplinary Overview

A Nicolle, S Deng, M Ihme… - Journal of Chemical …, 2024 - ACS Publications
Artificial Neural Networks (ANNs) are transforming how we understand chemical mixtures,
providing an expressive view of the chemical space and multiscale processes. Their …

Discussing the spectra of physics-enhanced machine learning via a survey on structural mechanics applications

M Haywood-Alexander, W Liu, K Bacsa, Z Lai… - CoRR, 2023 - openreview.net
The intersection of physics and machine learning has given rise to the physics-enhanced
machine learning (PEML) paradigm, aiming to improve the capabilities and reduce the …

Symplectic spectrum Gaussian processes: learning Hamiltonians from noisy and sparse data

Y Tanaka, T Iwata - Advances in Neural Information …, 2022 - proceedings.neurips.cc
Hamiltonian mechanics is a well-established theory for modeling the time evolution of
systems with conserved quantities (called Hamiltonian), such as the total energy of the …

MBD-NODE: physics-informed data-driven modeling and simulation of constrained multibody systems

J Wang, S Wang, HM Unjhawala, J Wu… - Multibody System …, 2024 - Springer
We describe a framework that can integrate prior physical information, eg, the presence of
kinematic constraints, to support data-driven simulation in multibody dynamics. Unlike other …

Symmetry preservation in Hamiltonian systems: Simulation and Learning

M Vaquero, J Cortés, DM de Diego - Journal of Nonlinear Science, 2024 - Springer
This work presents a general geometric framework for simulating and learning the dynamics
of Hamiltonian systems that are invariant under a Lie group of transformations. This means …

Learning deep dissipative dynamics

Y Okamoto, R Kojima - arXiv preprint arXiv:2408.11479, 2024 - arxiv.org
This study challenges strictly guaranteeing``dissipativity''of a dynamical system represented
by neural networks learned from given time-series data. Dissipativity is a crucial indicator for …

Estimating the energy of dissipative neural systems

ED Fagerholm, R Leech, FE Turkheimer, G Scott… - Cognitive …, 2024 - Springer
There is, at present, a lack of consensus regarding precisely what is meant by the
term'energy'across the sub-disciplines of neuroscience. Definitions range from deficits in the …

Latent-Energy-Based NNs: An interpretable Neural Network architecture for model-order reduction of nonlinear statics in solid mechanics

L Pottier, A Thorin, F Chinesta - Journal of the Mechanics and Physics of …, 2025 - Elsevier
Nonlinear mechanical systems can exhibit non-uniqueness of the displacement field in
response to a force field, which is related to the non-convexity of strain energy. This work …

Discussing the spectrum of physics-enhanced machine learning: a survey on structural mechanics applications

M Haywood-Alexander, W Liu, K Bacsa, Z Lai… - Data-Centric …, 2024 - cambridge.org
The intersection of physics and machine learning has given rise to the physics-enhanced
machine learning (PEML) paradigm, aiming to improve the capabilities and reduce the …