On scientific understanding with artificial intelligence

M Krenn, R Pollice, SY Guo, M Aldeghi… - Nature Reviews …, 2022 - nature.com
An oracle that correctly predicts the outcome of every particle physics experiment, the
products of every possible chemical reaction or the function of every protein would …

SELFIES and the future of molecular string representations

M Krenn, Q Ai, S Barthel, N Carson, A Frei, NC Frey… - Patterns, 2022 - cell.com
Artificial intelligence (AI) and machine learning (ML) are expanding in popularity for broad
applications to challenging tasks in chemistry and materials science. Examples include the …

Very-large-scale integrated quantum graph photonics

J Bao, Z Fu, T Pramanik, J Mao, Y Chi, Y Cao, C Zhai… - Nature …, 2023 - nature.com
Graphs have provided an expressive mathematical tool to model quantum-mechanical
devices and systems. In particular, it has been recently discovered that graph theory can be …

Artificial intelligence and machine learning for quantum technologies

M Krenn, J Landgraf, T Foesel, F Marquardt - Physical Review A, 2023 - APS
In recent years the dramatic progress in machine learning has begun to impact many areas
of science and technology significantly. In the present perspective article, we explore how …

Modern applications of machine learning in quantum sciences

A Dawid, J Arnold, B Requena, A Gresch… - arxiv preprint arxiv …, 2022 - arxiv.org
In these Lecture Notes, we provide a comprehensive introduction to the most recent
advances in the application of machine learning methods in quantum sciences. We cover …

Quantum similarity testing with convolutional neural networks

YD Wu, Y Zhu, G Bai, Y Wang, G Chiribella - Physical Review Letters, 2023 - APS
The task of testing whether two uncharacterized quantum devices behave in the same way
is crucial for benchmarking near-term quantum computers and quantum simulators, but has …

Digital discovery of 100 diverse quantum experiments with PyTheus

C Ruiz-Gonzalez, S Arlt, J Petermann, S Sayyad… - Quantum, 2023 - quantum-journal.org
Photons are the physical system of choice for performing experimental tests of the
foundations of quantum mechanics. Furthermore, photonic quantum technology is a main …

Adversarial Hamiltonian learning of quantum dots in a minimal Kitaev chain

R Koch, D Van Driel, A Bordin, JL Lado, E Greplova - Physical Review Applied, 2023 - APS
Determining Hamiltonian parameters from noisy experimental measurements is a key task
for the control of experimental quantum systems. An interesting experimental platform where …

Learning quantum dynamics with latent neural ordinary differential equations

M Choi, D Flam-Shepherd, TH Kyaw, A Aspuru-Guzik - Physical Review A, 2022 - APS
The core objective of machine-assisted scientific discovery is to learn physical laws from
experimental data without prior knowledge of the systems in question. In the area of …

Transfer learning from Hermitian to non-Hermitian quantum many-body physics

S Sayyad, JL Lado - Journal of Physics: Condensed Matter, 2024 - iopscience.iop.org
Identifying phase boundaries of interacting systems is one of the key steps to understanding
quantum many-body models. The development of various numerical and analytical methods …