Complex Computer-Designed Quantum Experiments
Complex Computer-Designed Quantum Experiments
Disciplines
Chemistry (10%); Computer Sciences (30%); Physics, Astronomy (60%)
Keywords
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Quantum Entanglement,
Computer-Designed Quantum Experiments,
Machine Learning,
Quantum Chemistry,
Quantum Optics
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 Output
- 2336 Citations
- 48 Publications
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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