Scientific machine learning through physics–informed neural networks: Where we are and what's next

S Cuomo, VS Di Cola, F Giampaolo, G Rozza… - Journal of Scientific …, 2022 - Springer
Abstract Physics-Informed Neural Networks (PINN) are neural networks (NNs) that encode
model equations, like Partial Differential Equations (PDE), as a component of the neural …

Geometric deep learning on molecular representations

K Atz, F Grisoni, G Schneider - Nature Machine Intelligence, 2021 - nature.com
Geometric deep learning (GDL) is based on neural network architectures that incorporate
and process symmetry information. GDL bears promise for molecular modelling applications …

Cliport: What and where pathways for robotic manipulation

M Shridhar, L Manuelli, D Fox - Conference on robot learning, 2022 - proceedings.mlr.press
How can we imbue robots with the ability to manipulate objects precisely but also to reason
about them in terms of abstract concepts? Recent works in manipulation have shown that …

Equivariant message passing for the prediction of tensorial properties and molecular spectra

K Schütt, O Unke, M Gastegger - … Conference on Machine …, 2021 - proceedings.mlr.press
Message passing neural networks have become a method of choice for learning on graphs,
in particular the prediction of chemical properties and the acceleration of molecular …

Group-invariant quantum machine learning

M Larocca, F Sauvage, FM Sbahi, G Verdon, PJ Coles… - PRX Quantum, 2022 - APS
Quantum machine learning (QML) models are aimed at learning from data encoded in
quantum states. Recently, it has been shown that models with little to no inductive biases (ie …

Transporter networks: Rearranging the visual world for robotic manipulation

A Zeng, P Florence, J Tompson… - … on Robot Learning, 2021 - proceedings.mlr.press
Robotic manipulation can be formulated as inducing a sequence of spatial displacements:
where the space being moved can encompass an object, part of an object, or end effector. In …

Theory for equivariant quantum neural networks

QT Nguyen, L Schatzki, P Braccia, M Ragone, PJ Coles… - PRX Quantum, 2024 - APS
Quantum neural network architectures that have little to no inductive biases are known to
face trainability and generalization issues. Inspired by a similar problem, recent …

Distance encoding: Design provably more powerful neural networks for graph representation learning

P Li, Y Wang, H Wang… - Advances in Neural …, 2020 - proceedings.neurips.cc
Learning representations of sets of nodes in a graph is crucial for applications ranging from
node-role discovery to link prediction and molecule classification. Graph Neural Networks …

Geometric and physical quantities improve e (3) equivariant message passing

J Brandstetter, R Hesselink, E van der Pol… - arXiv preprint arXiv …, 2021 - arxiv.org
Including covariant information, such as position, force, velocity or spin is important in many
tasks in computational physics and chemistry. We introduce Steerable E (3) Equivariant …

Physics-informed neural networks: A deep learning framework for solving forward and inverse problems involving nonlinear partial differential equations

M Raissi, P Perdikaris, GE Karniadakis - Journal of Computational physics, 2019 - Elsevier
We introduce physics-informed neural networks–neural networks that are trained to solve
supervised learning tasks while respecting any given laws of physics described by general …