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Complex Computer-Designed Quantum Experiments

Complex Computer-Designed Quantum Experiments

Mario Krenn (ORCID: 0000-0003-1620-9207)
  • Grant DOI 10.55776/J4309
  • Funding program Erwin Schrödinger
  • Status ended
  • Start May 1, 2019
  • End August 31, 2021
  • Funding amount € 164,480
  • Project website

Disciplines

Chemistry (10%); Computer Sciences (30%); Physics, Astronomy (60%)

Keywords

    Quantum Entanglement, Computer-Designed Quantum Experiments, Machine Learning, Quantum Chemistry, Quantum Optics

Abstract Final report

Quantum effects are very difficult to understand intuitively. An example is the so-called quantum entanglement. There, it seems that two particles remain connected over large distances. When you measure the first particle, something happens to the second particle instantaneously. Effects like these are the basis for a new class of technologies, with a variety of applications. For example, they would allow to ensure completely secure communication; to implement novel and much faster models of computers or to improve imaging systems such as telescopes or microscopes. Many of these quantum effects are also an important part of basic research. To understand these phenomena in more detail, one would like to be able to create and examine them in laboratories. However, that is often a problem: designing the right experiments and setups can prove to be a very difficult task. Only recently have automatic search algorithms been used for such questions, and some of these computer-suggested experiments have already been successfully implemented and investigated in laboratories. However, as there are a tremendous number of possibilities for experimental setups, this method is limited. Interestingly, there is a field of research that, although at first glance far removed from quantum optics, has very similar questions. In the field of quantum chemistry one wants to design novel molecules and materials that have particularly desirable properties, such as for new batteries, for efficient photovoltaics, and many others. For some years now, state-of-the-art artificial intelligence algorithms have been used to help design new materials. In my project, in the group of quantum chemist Alan Aspuru-Guzik, I will translate these A.I. algorithms from chemistry to quantum optics. This gives me the opportunity to answer many of the open questions of quantum optics. Among other things, these questions deal with the generation of very high-quality quantum states, which are crucial for quantum computers. Furthermore, I will use my algorithms to design concrete quantum-based enhancements of optical images in astronomical telescopes. These computer suggestions can then be studied in laboratories and can lead to considerable scientific and technical advances. Finally, I will explore what the underlying reasons and principles are, that these new solutions work, which until now have been hidden from human researchers. Findings from this could have far- reaching implications for the understanding of quantum optics, as well as for quantum chemistry, and provide new understanding or mathematical descriptions that were unknown until now.

Human intuition, which guides us perfectly through our everyday world, fails completely when dealing with the world of quantum physics. The ideas of superposition (two properties of a system that appear to be realized simultaneously) or the phenomenon of entanglement (two systems, such as photons - i.e. individual light particles that appear to be connected over large distances) are just two examples of effects that we never experience in our everyday life. Now, of course, the question arises whether this human intuition is actually the best way to achieve scientific and technical progress in quantum physics. For example, can human scientists actually design the best and most interesting quantum experiments, or are there other methods that work better? In my research project, I dealt with how we can use artificial intelligence to create new experiments in quantum physics - and there especially with light particles. My approach was this: I went to Toronto to join a computational chemistry research group. In chemistry and materials science in general, and in my host group in Toronto in particular, remarkable artificial intelligence algorithms have been developed for the design of new functional materials, such as new batteries or photovoltaics. In general, the incorporation of AI methods in chemistry was (and is) far advanced and much more developed than in physics. So my plan was this: learn as much as possible about the methodologies of AI in chemistry, and transfer it to physics and quantum physics. In particular, I am interested in the AI-based development of new quantum experiments and quantum hardware. Back to quantum physics. During that time, it was actually possible to develop an algorithm that designs realizable quantum experiments. It is possible to do this many orders of magnitude faster than was previously possible. In addition, we managed to implement the algorithm in such a way that we can learn new ideas and concepts from the results. It has allowed us to answer some open questions in experimental quantum physics - like how to develop certain resources for quantum computers. In addition to the pure solutions, we also understood the underlying principles - and thus one of the first examples in which a person learns new ideas from artificial intelligence in the natural sciences. Finally, I would like to point out a work in which we are fundamentally concerned with how people can gain new understanding through AI. In doing so, we accessed interviews from more than 50 physicists, chemists and biology researchers, as well as new ideas from the philosophy of science and AI research. In the future, this research could radically change how human and artificial scientists work productively together to answer questions about our universe.

Research institution(s)
  • University of Toronto - 100%
  • Institute of Advanced Research Artificial Intelligence - 100%

Research Output

  • 2336 Citations
  • 48 Publications
Publications
  • 2022
    Title SELFIES and the future of molecular string representations
    DOI 10.1016/j.patter.2022.100588
    Type Journal Article
    Author Krenn M
    Journal Patterns
    Pages 100588
    Link Publication
  • 2022
    Title Design of quantum optical experiments with logic artificial intelligence
    DOI 10.22331/q-2022-10-13-836
    Type Journal Article
    Author Cervera-Lierta A
    Journal Quantum
    Pages 836
    Link Publication
  • 2022
    Title On scientific understanding with artificial intelligence
    DOI 10.1038/s42254-022-00518-3
    Type Journal Article
    Author Krenn M
    Journal Nature Reviews Physics
    Pages 761-769
    Link Publication
  • 2021
    Title Conceptual Understanding through Efficient Automated Design of Quantum Optical Experiments
    DOI 10.17169/refubium-32186
    Type Other
    Author Kottmann J
    Link Publication
  • 2021
    Title Quantum Optical Experiments Modeled by Long Short-Term Memory
    DOI 10.3390/photonics8120535
    Type Journal Article
    Author Adler T
    Journal Photonics
    Pages 535
    Link Publication
  • 2021
    Title Beyond generative models: superfast traversal, optimization, novelty, exploration and discovery (STONED) algorithm for molecules using SELFIES
    DOI 10.1039/d1sc00231g
    Type Journal Article
    Author Nigam A
    Journal Chemical Science
    Pages 7079-7090
    Link Publication
  • 2021
    Title On-chip quantum interference between the origins of a multi-photon state
    DOI 10.48550/arxiv.2103.14277
    Type Preprint
    Author Feng L
  • 2021
    Title Quantum Indistinguishability by Path Identity: The awakening of a sleeping beauty
    DOI 10.48550/arxiv.2101.02431
    Type Other
    Author Hochrainer A
    Link Publication
  • 2021
    Title Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES
    DOI 10.26434/chemrxiv.13383266.v2
    Type Preprint
    Author Nigam A
  • 2021
    Title Scientific intuition inspired by machine learning-generated hypotheses
    DOI 10.1088/2632-2153/abda08
    Type Journal Article
    Author Friederich P
    Journal Machine Learning: Science and Technology
  • 2021
    Title Scientific intuition inspired by machine learning-generated hypotheses
    DOI 10.5445/ir/1000133179
    Type Other
    Author Friederich P
    Link Publication
  • 2019
    Title Computer-inspired concept for high-dimensional multipartite quantum gates
    DOI 10.48550/arxiv.1910.05677
    Type Preprint
    Author Gao X
  • 2019
    Title Quantenteleportation in höheren Dimensionen
    DOI 10.1002/piuz.201970608
    Type Journal Article
    Author Krenn M
    Journal Physik in unserer Zeit
    Pages 269-270
  • 2019
    Title Quantum Optical Experiments Modeled by Long Short-Term Memory
    DOI 10.48550/arxiv.1910.13804
    Type Preprint
    Author Adler T
  • 2019
    Title Questions on the Structure of Perfect Matchings Inspired by Quantum Physics
    DOI 10.5592/co/ccd.2018.05
    Type Conference Proceeding Abstract
    Author Krenn M
    Pages 57-70
    Link Publication
  • 2022
    Title Learning interpretable representations of entanglement in quantum optics experiments using deep generative models
    DOI 10.1038/s42256-022-00493-5
    Type Journal Article
    Author Flam-Shepherd D
    Journal Nature Machine Intelligence
    Pages 544-554
    Link Publication
  • 2022
    Title Quantum indistinguishability by path identity and with undetected photons
    DOI 10.1103/revmodphys.94.025007
    Type Journal Article
    Author Hochrainer A
    Journal Reviews of Modern Physics
    Pages 025007
    Link Publication
  • 2023
    Title On-chip quantum interference between the origins of a multi-photon state
    DOI 10.1364/optica.474750
    Type Journal Article
    Author Feng L
    Journal Optica
  • 2022
    Title Curiosity in exploring chemical spaces: intrinsic rewards for molecular reinforcement learning
    DOI 10.1088/2632-2153/ac7ddc
    Type Journal Article
    Author Thiede L
    Journal Machine Learning: Science and Technology
    Pages 035008
    Link Publication
  • 2022
    Title Experimental High-Dimensional Greenberger-Horne-Zeilinger Entanglement with Superconducting Transmon Qutrits
    DOI 10.1103/physrevapplied.17.024062
    Type Journal Article
    Author Cervera-Lierta A
    Journal Physical Review Applied
    Pages 024062
    Link Publication
  • 2020
    Title Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation
    DOI 10.5445/ir/1000128111
    Type Other
    Author Häse F
    Link Publication
  • 2020
    Title Computer-inspired quantum experiments
    DOI 10.1038/s42254-020-0230-4
    Type Journal Article
    Author Krenn M
    Journal Nature Reviews Physics
    Pages 649-661
    Link Publication
  • 2020
    Title Quantum experiments and hypergraphs: Multiphoton sources for quantum interference, quantum computation, and quantum entanglement
    DOI 10.1103/physreva.101.033816
    Type Journal Article
    Author Gu X
    Journal Physical Review A
    Pages 033816
    Link Publication
  • 2020
    Title Compact Greenberger—Horne—Zeilinger state generation via frequency combs and graph theory
    DOI 10.1007/s11467-020-1028-7
    Type Journal Article
    Author Gu X
    Journal Frontiers of Physics
    Pages 61502
  • 2020
    Title Scientific intuition inspired by machine learning generated hypotheses
    DOI 10.48550/arxiv.2010.14236
    Type Preprint
    Author Friederich P
  • 2020
    Title Conceptual understanding through efficient inverse-design of quantum optical experiments
    DOI 10.48550/arxiv.2005.06443
    Type Preprint
    Author Krenn M
  • 2020
    Title Phenomenology of complex structured light in turbulent air.
    DOI 10.1364/oe.386962
    Type Journal Article
    Author Gu X
    Journal Optics express
    Pages 11033-11050
    Link Publication
  • 2019
    Title Augmenting Genetic Algorithms with Deep Neural Networks for Exploring the Chemical Space
    DOI 10.48550/arxiv.1909.11655
    Type Preprint
    Author Nigam A
  • 2019
    Title Phenomenology of complex structured light in turbulent air
    DOI 10.48550/arxiv.1906.03581
    Type Preprint
    Author Gu X
  • 2019
    Title Self-Referencing Embedded Strings (SELFIES): A 100% robust molecular string representation
    DOI 10.48550/arxiv.1905.13741
    Type Preprint
    Author Krenn M
  • 2020
    Title Computer-Inspired Concept for High-Dimensional Multipartite Quantum Gates
    DOI 10.1103/physrevlett.125.050501
    Type Journal Article
    Author Gao X
    Journal Physical Review Letters
    Pages 050501
    Link Publication
  • 2020
    Title Self-referencing embedded strings (SELFIES): A 100% robust molecular string representation
    DOI 10.1088/2632-2153/aba947
    Type Journal Article
    Author Krenn M
    Journal Machine Learning: Science and Technology
    Pages 045024
    Link Publication
  • 2020
    Title Quantum Computer-Aided design of Quantum Optics Hardware
    DOI 10.48550/arxiv.2006.03075
    Type Preprint
    Author Kottmann J
  • 2020
    Title Advances in high-dimensional quantum entanglement
    DOI 10.1038/s42254-020-0193-5
    Type Journal Article
    Author Erhard M
    Journal Nature Reviews Physics
    Pages 365-381
    Link Publication
  • 2020
    Title Deep Molecular Dreaming: Inverse machine learning for de-novo molecular design and interpretability with surjective representations
    DOI 10.48550/arxiv.2012.09712
    Type Preprint
    Author Shen C
  • 2020
    Title Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES
    DOI 10.26434/chemrxiv.13383266.v1
    Type Preprint
    Author Nigam A
    Link Publication
  • 2020
    Title Computer-inspired Quantum Experiments
    DOI 10.48550/arxiv.2002.09970
    Type Preprint
    Author Krenn M
  • 2020
    Title Curiosity in exploring chemical space: Intrinsic rewards for deep molecular reinforcement learning
    DOI 10.48550/arxiv.2012.11293
    Type Preprint
    Author Thiede L
  • 2020
    Title Quantum Experiments and Hypergraphs: Multi-Photon Sources for Quantum Interference, Quantum Computation and Quantum Entanglement
    DOI 10.48550/arxiv.2003.01910
    Type Preprint
    Author Gu X
  • 2019
    Title Advances in High Dimensional Quantum Entanglement
    DOI 10.48550/arxiv.1911.10006
    Type Preprint
    Author Erhard M
  • 2021
    Title Learning Interpretable Representations of Entanglement in Quantum Optics Experiments using Deep Generative Models
    DOI 10.48550/arxiv.2109.02490
    Type Preprint
    Author Flam-Shepherd D
  • 2021
    Title Conceptual Understanding through Efficient Automated Design of Quantum Optical Experiments
    DOI 10.1103/physrevx.11.031044
    Type Journal Article
    Author Krenn M
    Journal Physical Review X
    Pages 031044
    Link Publication
  • 2021
    Title Data-Driven Strategies for Accelerated Materials Design
    DOI 10.1021/acs.accounts.0c00785
    Type Journal Article
    Author Pollice R
    Journal Accounts of Chemical Research
    Pages 849-860
    Link Publication
  • 2021
    Title Beyond Generative Models: Superfast Traversal, Optimization, Novelty, Exploration and Discovery (STONED) Algorithm for Molecules using SELFIES
    DOI 10.26434/chemrxiv.13383266
    Type Preprint
    Author Nigam A
    Link Publication
  • 2021
    Title Quantum computer-aided design of quantum optics hardware
    DOI 10.1088/2058-9565/abfc94
    Type Journal Article
    Author Kottmann J
    Journal Quantum Science and Technology
    Pages 035010
    Link Publication
  • 2020
    Title Predicting research trends with semantic and neural networks with an application in quantum physics
    DOI 10.1073/pnas.1914370116
    Type Journal Article
    Author Krenn M
    Journal Proceedings of the National Academy of Sciences
    Pages 1910-1916
    Link Publication
  • 2020
    Title Physics Insights from Neural Networks
    DOI 10.1103/physics.13.2
    Type Journal Article
    Author Krenn M
    Journal Physics
    Pages 2
    Link Publication
  • 2021
    Title Deep molecular dreaming: inverse machine learning for de-novo molecular design and interpretability with surjective representations
    DOI 10.1088/2632-2153/ac09d6
    Type Journal Article
    Author Shen C
    Journal Machine Learning: Science and Technology
    Link Publication

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