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Author Correction: Filling the gap between topological insulator nanomaterials and triboelectric nanogenerators

Nature communications 2022年第1期13卷 1570页

作者： Mengjiao Li Hong-Wei Lu Shu-Wei Wang Rei-Ping Li Jiann-Yeu Chen Wen-Shuo Chuang Feng-Shou Yang Yen-Fu Lin Chih-Yen Chen Ying-Chih Lai Department of Materials Science and Engineering National Chung Hsing University Taichung 40227 Taiwan. Department of Physics National Chung Hsing University Taichung 40227 Taiwan. Ming Hsieh Department of Electrical and Computer Engineering University of Southern California Los Angeles CA 90089 USA. Francis Bitter Magnet Lab Massachusetts Institute of Technology Cambridge MA 02139 USA. Department of Materials and Optoelectronic Science National Sun Yat-Sen University Kaohsiung 80424 Taiwan. i-Center for Advanced Science and Technology National Chung Hsing University Taichung 40227 Taiwan. Innovation and Development Center of Sustainable Agriculture National Chung Hsing University Taichung 40227 Taiwan. Department of Physics National Chung Hsing University Taichung 40227 Taiwan. yenfulin@nchu.edu.tw. i-Center for Advanced Science and Technology National Chung Hsing University Taichung 40227 Taiwan. yenfulin@nchu.edu.tw. Department of Materials and Optoelectronic Science National Sun Yat-Sen University Kaohsiung 80424 Taiwan. cychen@mail.nsysu.edu.tw. Department of Materials Science and Engineering National Chung Hsing University Taichung 40227 Taiwan. yclai@nchu.edu.tw. i-Center for Advanced Science and Technology National Chung Hsing University Taichung 40227 Taiwan. yclai@nchu.edu.tw. Innovation and Development Center of Sustainable Agriculture National Chung Hsing University Taichung 40227 Taiwan. yclai@nchu.edu.tw.

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Quantum Computing for High-Energy Physics: State of the Art and Challenges

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PRX Quantum 2024年第3期5卷 037001-037001页

作者： Alberto Di Meglio Karl Jansen Ivano Tavernelli Constantia Alexandrou Srinivasan Arunachalam Christian W. Bauer Kerstin Borras Stefano Carrazza Arianna Crippa Vincent Croft Roland de Putter Andrea Delgado Vedran Dunjko Daniel J. Egger Elias Fernández-Combarro Elina Fuchs Lena Funcke Daniel González-Cuadra Michele Grossi Jad C. Halimeh Zoë Holmes Stefan Kühn Denis Lacroix Randy Lewis Donatella Lucchesi Miriam Lucio Martinez Federico Meloni Antonio Mezzacapo Simone Montangero Lento Nagano Vincent R. Pascuzzi Voica Radescu Enrique Rico Ortega Alessandro Roggero Julian Schuhmacher Joao Seixas Pietro Silvi Panagiotis Spentzouris Francesco Tacchino Kristan Temme Koji Terashi Jordi Tura Cenk Tüysüz Sofia Vallecorsa Uwe-Jens Wiese Shinjae Yoo Jinglei Zhang 1211 Geneva Switzerland CQTA Computation-based Science and Technology Research Center 8803 Rüschlikon Switzerland Department of Physics IBM Quantum Physics Division Deutsches Elektronen-Synchrotron (DESY) Notkestraße 85 22607 Hamburg Germany Templergraben 55 52062 Aachen Germany TIF Lab Dipartimento di Fisica Institut für Physik 〈aQa Physics Division Department of Computer Science Facultad de Ciencias Institute of Theoretical Physics 38116 Braunschweig Germany Transdisciplinary Research Area “Building Blocks of Matter and Fundamental Interactions” (TRA Matter) and Helmholtz Institute for Radiation and Nuclear Physics (HISKP) Institute for Theoretical Physics 6020 Innsbruck Austria Department of Physics and Arnold Sommerfeld Center for Theoretical Physics Munich Germany Institute of Physics CNRS/IN2P3 IJCLab Department of Physics and Astronomy Via Marzolo 8 35131 Padua Italy Science Park 105 1098 XG Amsterdam Netherlands Department of Gravitational Waves and Fundamental Physics International Center for Elementary Particle Physics Department of Physical Chemistry 20018 Donostia–San Sebastián Spain EHU Quantum Center University of the Basque Country UPV/EHU P.O. Box 644 48080 Bilbao Spain Basque Foundation for Science Via Sommarive 14 38123 Povo Trento Italy Department Física Center of Physics and Engineering of Advanced Materials (CeFEMA) Instituto Superior Técnico Lisbon Portugal Laboratory of Physics for Materials and Emergent Technologies (LaPMET) Lisbon Portugal Kirk and Pine Street Batavia Illinois 60510 USA Albert Einstein Center for Fundamental Physics Institute for Theoretical Physics 98 Rochester Sreet Upton New York 11973 USA Institute for Quantum Computing Department of Physics and Astronomy University of Waterloo Waterloo Ontario N2L 3G1 Canada

Quantum computers offer an intriguing path for a paradigmatic change of computing in the natural sciences and beyond, with the potential for achieving a so-called quantum advantage—namely, a significant (in some cases exponential) speedup of numerical simulations. The rapid development of hardware devices with various realizations of qubits enables the execution of small-scale but representative applications on quantum computers. In particular, the high-energy physics community plays a pivotal role in accessing the power of quantum computing, since the field is a driving source for challenging computational problems. This concerns, on the theoretical side, the exploration of models that are very hard or even impossible to address with classical techniques and, on the experimental side, the enormous data challenge of newly emerging experiments, such as the upgrade of the Large Hadron Collider. In this Roadmap paper, led by CERN, DESY, and IBM, we provide the status of high-energy physics quantum computations and give examples of theoretical and experimental target benchmark applications, which can be addressed in the near future. Having in mind hardware with about 100 qubits capable of executing several thousand two-qubit gates, where possible, we also provide resource estimates for the examples given using error-mitigated quantum computing. The ultimate declared goal of this task force is therefore to trigger further research in the high-energy physics community to develop interesting use cases for demonstrations on near-term quantum computers.

关键词： Quantum computation Quantum simulation

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Is AI Robust Enough for Scientific Research?

arXiv

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arXiv 2024年

作者： Zhang, Jun-Jie Song, Jiahao Wang, Xiu-Cheng Li, Fu-Peng Liu, Zehan Chen, Jian-Nan Dang, Haoning Wang, Shiyao Zhang, Yiyan Xu, Jianhui Shi, Chunxiang Wang, Fei Pang, Long-Gang Cheng, Nan Zhang, Weiwei Zhang, Duo Meng, Deyu Northwest Institute of Nuclear Technology No. 28 Pingyu Road Shaanxi Xi’an710024 China School of Telecommunications Engineering Xidian University No. 2 South Taibai Road Shaanxi Xi’an710071 China State Key Laboratory of ISN No. 2 South Taibai Road Shaanxi Xi’an710071 China Institute of Particle Physics Central China Normal University No. 152 Luoyu Road Hubei Wuhan30079 China School of Computer Science and Technology Xi’an Jiaotong University No. 28 Xianning West Road Shaanxi Xi’an710049 China Ministry of Education Key Lab of Intelligent Networks and Network Security Xi’an Jiaotong University No. 28 Xianning West Road Shaanxi Xi’an710049 China Guangzhou Institute of Geography Academy of Sciences No. 100 Xianlie Road Guangdong Guangzhou510070 China National Meteorological Information Center Beijing100044 China MDX Research Center for Element Strategy Institute of Integrated Research Institute of Science Tokyo Midori-ku Yokohama226-8503 Japan School of Physics and Information Technology Shaanxi Normal University No. 620 West Chang’an Avenue Shaanxi Xi’an710119 China School of Aeronautics Northwestern Polytechnical University No. 127 West Youyi Road Shaanxi Xi’an710072 China AI for Science Institute Beijing100080 China DP Technology Beijing100080 China Academy for Advanced Interdisciplinary Studies Peking University Beijing100871 China School of Mathematics and Statistics Xi’an Jiaotong University No. 28 Xianning West Road Shaanxi Xi’an710049 China

We uncover a phenomenon largely overlooked by the scientific community utilizing AI: neural networks exhibit high susceptibility to minute perturbations, resulting in significant deviations in their outputs. Through an analysis of five diverse application areas—weather forecasting, chemical energy and force calculations, fluid dynamics, quantum chromodynamics, and wireless communication—we demonstrate that this vulnerability is a broad and general characteristic of AI systems. This revelation exposes a hidden risk in relying on neural networks for essential scientific computations, calling further studies on their reliability and security. © 2024, CC0.

关键词： Weather forecasting

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Developments and applications of the OPTIMADE API for materials discovery, design, and data exchange

arXiv

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arXiv 2024年

作者： Evans, Matthew L. Bergsma, Johan Merkys, Andrius Andersen, Casper W. Andersson, Oskar B. Beltrán, Daniel Blokhin, Evgeny Boland, Tara M. Balderas, Rubén Castañeda Choudhary, Kamal Díaz, Alberto Díaz García, Rodrigo Domínguez Eckert, Hagen Eimre, Kristjan Montero, María Elena Fuentes Krajewski, Adam M. Mortensen, Jens Jørgen Duarte, José Manuel Nápoles Pietryga, Jacob Qi, Ji de Jesús Trejo Carrillo, Felipe Vaitkus, Antanas Yu, Jusong Zettel, Adam de Castro, Pedro Baptista Carlsson, Johan Cerqueira, Tiago F.T. Divilov, Simon Hajiyani, Hamidreza Hanke, Felix Jose, Kevin Oses, Corey Riebesell, Janosh Schmidt, Jonathan Winston, Donald Xie, Christen Yang, Xiaoyu Bonella, Sara Botti, Silvana Curtarolo, Stefano Draxl, Claudia Cobas, Luis Edmundo Fuentes Hospital, Adam Liu, Zi-Kui Marques, Miguel A.L. Marzari, Nicola Morris, Andrew J. Ong, Shyue Ping Orozco, Modesto Persson, Kristin A. Thygesen, Kristian S. Wolverton, Chris Scheidgen, Markus Toher, Cormac Conduit, Gareth J. Pizzi, Giovanni Gražulis, Saulius Rignanese, Gian-Marco Armiento, Rickard Chemin des Étoiles 8 Louvain-la-Neuve1348 Belgium Matgenix SRL 185 Rue Armand Bury Gozée6534 Belgium École Polytechnique Fédérale de Lausanne Avenue de Forel 3 Lausanne1015 Switzerland Institute of Biotechnology Life Sciences Center Vilnius University Sauletekio av. 7 VilniusLT-10257 Lithuania SINTEF P.O. Box 4760 Torgarden TrondheimNO-7465 Norway Materials Design and Informatics unit Department of Physics Chemistry and Biology Linköping University Sweden Baldiri i Reixac 10-12 Barcelona08028 Spain Tilde Materials Informatics Straßmannstraße 25 Berlin10249 Germany Materials Platform for Data Science Sepapaja 6 Tallinn15551 Estonia Computational Atomic-Scale Materials Design Technical University of Denmark Kgs. Lyngby Denmark Av. Miguel de Cervantes 120 Complejo Industrial Chihuahua Chihuahua Chih. 31136 Mexico Material Measurement Laboratory National Institute of Standards and Technology GaithersburgMD20899 United States Department of Mechanical Engineering and Materials Science Duke University DurhamNC27708 United States Center for Extreme Materials Duke University DurhamNC27708 United States École Polytechnique Fédérale de Lausanne Lausanne1015 Switzerland Universidad Autónoma de Chihuahua Facultad de Ciencias Quimicas Chihuahua31125 Mexico Department of Materials Science and Engineering The Pennsylvania State University University ParkPA16802 United States Department of Materials Science and Engineering Northwestern University EvanstonIL60208 United States Department of NanoEngineering University of California 9500 Gilman Drive La Jolla San DiegoCA92093-0448 United States National Institute for Materials Science 1-2-1 Sengen Ibaraki Tsukuba305-0047 Japan Dassault Systèmes Germany GmbH Am Kabellager 11-13 Cologne51063 Germany CFisUC Department of Physics University of Coimbra Rua Larga Coimbra3004-516 Portugal Dassault Systèmes 22 Science Park CB4 0FJ United Kingdom Theory of Condensed Matter Cavendis

The Open Databases Integration for Materials Design (OPTIMADE) application programming interface (API) empowers users with holistic access to a growing federation of databases, enhancing the accessibility and discoverability of materials and chemical data. Since the first release of the OPTIMADE specification (v1.0), the API has undergone significant development, leading to the v1.2 release, and has underpinned multiple scientific studies. In this work, we highlight the latest features of the API format, accompanying software tools, and provide an update on the implementation of OPTIMADE in contributing materials databases. We end by providing several use cases that demonstrate the utility of the OPTIMADE API in materials research that continue to drive its ongoing development. © 2024, CC BY.

关键词： Electronic data interchange

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An environment for sustainable research software in Germany and beyond: Current state, open challenges, and call for action

arXiv

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arXiv 2020年

作者： Anzt, Hartwig Bach, Felix Druskat, Stephan Löffler, Frank Loewe, Axel Renard, Bernhard Y. Seemann, Gunnar Struck, Alexander Achhammer, Elke Aggarwal, Piush Appel, Franziska Bader, Michael Brusch, Lutz Busse, Christian Chourdakis, Gerasimos Dabrowski, Piotr W. Ebert, Peter Flemisch, Bernd Friedl, Sven Fritzsch, Bernadette Funk, Maximilian D. Gast, Volker Goth, Florian Grad, Jean-Noël Hermann, Sibylle Hohmann, Florian Janosch, Stephan Kutra, Dominik Linxweiler, Jan Muth, Thilo Peters-Kottig, Wolfgang Rack, Fabian Raters, Fabian H.C. Rave, Stephan Reina, Guido Reißig, Malte Ropinski, Timo Schaarschmidt, Joerg Seibold, Heidi Thiele, Jan P. Uekerman, Benjamin Unger, Stefan Weeber, Rudolf Germany Innovative Computing Lab University of Tennessee KnoxvilleTN United States Department of English Studies Friedrich Schiller University Jena Germany Germany Department of Computer Science Humboldt-Universität zu Berlin Germany Heinz Nixdorf Chair for Distributed Information Systems Friedrich Schiller University Jena Germany Michael Stifel Center Jena Germany Center for Computation and Technology Louisiana State University Baton Rouge United States Germany Robert Koch Institute Berlin Germany Hasso Plattner Institute Faculty of Digital Engineering University of Potsdam Germany Institute for Experimental Cardiovascular Medicine University Heart Centre Freiburg Bad Krozingen Germany Faculty of Medicine University of Freiburg Freiburg Germany Matters of Activity. Image Space Material. Cluster of Excellence at Humboldt-Universität zu Berlin Germany Technische Universität München Germany Language Technology Lab Universität Duisburg-Essen Germany Germany Department of Informatics Technical University of Munich Germany Technische Universität Dresden Germany Deutsches Krebsforschungszentrum Heidelberg Germany Scientific Computing in Computer Science Technical University Munich Germany School of Computing Communication and Business Hochschule für Technik und Wirtschaft Berlin Germany Center for Bioinformatics Saar Saarland Informatics Campus Germany Institute for Modelling Hydraulic and Environmental Systems University of Stuttgart Germany Berlin Institute of Health Germany Scientific Computing Alfred Wegener Institute Helmholtz Center for Polar and Marine Research Bremerhaven Germany Max-Planck-Gesellschaft e.V. Institut für Theoretische Physik und Astrophysik Universität Würzburg Germany Institut für Computerphysik University of Stuttgart Germany University Library University of Stuttgart Germany Universität Bremen Germany Max Planck Institute of Molecular Cell Biology and Genetics Dresden Germany European Molecular Biology Laboratory Heidelb

Research software has become a central asset in academic research. It optimizes existing and enables new research methods, implements and embeds research knowledge, and constitutes an essential research product in itself. Research software must be sustainable in order to understand, replicate, reproduce, and build upon existing research or conduct new research effectively. In other words, software must be available, discoverable, usable, and adaptable to new needs, both now and in the future. Research software therefore requires an environment that supports sustainability. Hence, a change is needed in the way research software development and maintenance are currently motivated, incentivized, funded, structurally and infrastructurally supported, and legally treated. Failing to do so will threaten the quality and validity of research. In this paper, we identify challenges for research software sustainability in Germany and beyond, in terms of motivation, selection, research software engineering personnel, funding, infrastructure, and legal aspects. Besides researchers, we specifically address political and academic decision-makers to increase awareness of the importance and needs of sustainable research software practices. In particular, we recommend strategies and measures to create an environment for sustainable research software, with the ultimate goal to ensure that software-driven research is valid, reproducible and sustainable, and that software is recognized as a first class citizen in research. This paper is the outcome of two workshops run in Germany in 2019, at deRSE19 - the first International Conference of Research Software Engineers in Germany - and a dedicated DFG-supported follow-up workshop in Berlin. Copyright © 2020, The Authors. All rights reserved.

关键词： Software design

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Comparative validation of machine learning algorithms for surgical workflow and skill analysis with the heichole benchmark

arXiv

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arXiv 2021年

作者： Wagner, Martin Müller-Stich, Beat-Peter Kisilenko, Anna Tran, Duc Heger, Patrick Mündermann, Lars Lubotsky, David M. Müller, Benjamin Davitashvili, Tornike Capek, Manuela Reinke, Annika Yu, Tong Vardazaryan, Armine Innocent Nwoye, Chinedu Padoy, Nicolas Liu, Xinyang Lee, Eung-Joo Disch, Constantin Meine, Hans Xia, Tong Jia, Fucang Kondo, Satoshi Reiter, Wolfgang Jin, Yueming Long, Yonghao Jiang, Meirui Dou, Qi Heng, Pheng Ann Twick, Isabell Kirtac, Kadir Hosgor, Enes Bolmgren, Jon Lindström Stenzel, Michael von Siemens, Björn Kenngott, Hannes G. Nickel, Felix von Frankenberg, Moritz Mathis-Ullrich, Franziska Maier-Hein, Lena Speidel, Stefanie Bodenstedt, Sebastian Department for General Visceral and Transplantation Surgery Heidelberg University Hospital Im Neuenheimer Feld 420 Heidelberg69120 Germany Heidelberg Im Neuenheimer Feld 460 Heidelberg69120 Germany Data Assisted Solutions Corporate Research & Technology KARL STORZ SE & Co. KG Dr. Karl-Storz-Str. 34 Tuttlingen78332 Germany Im Neuenheimer Feld 223 Heidelberg69120 Germany Im Neuenheimer Feld 223 Heidelberg69120 Germany Faculty of Mathematics and Computer Science Heidelberg University Im Neuenheimer Feld 205 Heidelberg69120 Germany ICube University of Strasbourg CNRS France 300 bd Sébastien Brant - CS 10413 Illkirch CedexF-67412 France IHU Strasbourg France 1 Place de l'hôpital Strasbourg67000 France Sheikh Zayed Institute for Pediatric Surgical Innovation Children's National Hospital 111 Michigan Ave NW WashingtonDC20010 United States University of Maryland College Park 2405 A V Williams Building College ParkMD20742 United States Fraunhofer Institute for Digital Medicine MEVIS Max-von-Laue-Str. 2 Bremen28359 Germany University of Bremen FB3 Medical Image Computing Group ℅ Fraunhofer MEVIS Am Fallturm 1 Bremen28359 Germany Lab for Medical Imaging and Digital Surgery Shenzhen Institute of Advanced Technology Chinese Academy of Sciences Shenzhen518055 China Konika Minolta Inc. JP TOWER 2-7-2 Marunouchi Chiyoda-ku Tokyo100-7015 Japan Wintegral GmbH Ehrenbreitsteiner Str. 36 München80993 Germany Department of Computer Science and Engineering Ho Sin-Hang Engineering Building The Chinese University of Hong Kong Sha Tin NT Hong Kong Caresyntax GmbH Komturstr. 18A Berlin12099 Germany Department of Surgery Salem Hospital of the Evangelische Stadtmission Heidelberg Zeppelinstrasse 11-33 Heidelberg69121 Germany Health Robotics and Automation Laboratory Institute for Anthropomatics and Robotics Karlsruhe Institute of Technology Geb. 40.28 KIT Campus Süd Engler-Bunte-Ring 8 Karlsruhe76131 Germany Medical Faculty Heidelberg Uni

PURPOSE: Surgical workflow and skill analysis are key technologies for the next generation of cognitive surgical assistance systems. These systems could increase the safety of the operation through context-sensitive warnings and semi-autonomous robotic assistance or improve training of surgeons via data-driven feedback. In surgical workflow analysis up to 91% average precision has been reported for phase recognition on an open data single-center video dataset. In this work we investigated the generalizability of phase recognition algorithms in a multi-center setting including more difficult recognition tasks such as surgical action and surgical skill. METHODS: To achieve this goal, a dataset with 33 laparoscopic cholecystectomy videos from three surgical centers with a total operation time of 22 hours was created. labels included framewise annotation of seven surgical phases with 250 phase transitions, 5514 occurences of four surgical actions, 6980 occurences of 21 surgical instruments from seven instrument categories and 495 skill classifications in five skill dimensions. The dataset was used in the 2019 international Endoscopic Vision challenge, sub-challenge for surgical workflow and skill analysis. Here, 12 research teams trained and submitted their machine learning algorithms for recognition of phase, action, instrument and/or skill assessment. RESULTS: F1-scores were achieved for phase recognition between 23.9% and 67.7% (n=9 teams), for instrument presence detection between 38.5% and 63.8% (n=8 teams), but for action recognition only between 21.8% and 23.3% (n=5 teams). The average absolute error for skill assessment was 0.78 (n=1 team). CONCLUSION: Surgical workflow and skill analysis are promising technologies to support the surgical team, but are not solved yet, as shown by our comparison of machine learning algorithms. This novel HeiChole benchmark can be used for comparable evaluation and validation of future work. In future studies, it is of utmost impo

关键词： Learning algorithms

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Author Correction: Opportunities and challenges of single-cell and spatially resolved genomics methods for neuroscience discovery

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Nature neuroscience 2025年第1期28卷 216页

作者： Boyan Bonev Gonçalo Castelo-Branco Fei Chen Simone Codeluppi M Ryan Corces Jean Fan Myriam Heiman Kenneth Harris Fumitaka Inoue Manolis Kellis Ariel Levine Mo Lotfollahi Chongyuan Luo Kristen R Maynard Mor Nitzan Vijay Ramani Rahul Satijia Lucas Schirmer Yin Shen Na Sun Gilad S Green Fabian Theis Xiao Wang Joshua D Welch Ozgun Gokce Genevieve Konopka Shane Liddelow Evan Macosko Omer Ali Bayraktar Naomi Habib Tomasz J Nowakowski Helmholtz Pioneer Campus Helmholtz Zentrum München Neuherberg Germany. Physiological Genomics Biomedical Center Ludwig-Maximilians-Universität München Munich Germany. Laboratory of Molecular Neurobiology Department of Medical Biochemistry and Biophysics Karolinska Institutet Stockholm Sweden. The Broad Institute of MIT and Harvard Cambridge MA USA. Moleculent Stockholm Sweden. Gladstone Institute of Neurological Disease San Francisco CA USA. Gladstone Institute of Data Science and Biotechnology San Francisco CA USA. Department of Neurology University of California San Francisco San Francisco CA USA. Department of Biomedical Engineering Johns Hopkins University Baltimore MD USA. Department of Brain and Cognitive Sciences MIT Cambridge MA USA. The Picower Institute for Learning and Memory MIT Cambridge MA USA. UCL Queen Square Institute of Neurology University College London London UK. Institute for the Advanced Study of Human Biology (WPI-ASHBi) Kyoto University Kyoto Japan. Computer Science and Artificial Intelligence Lab Massachusetts Institute of Technology Cambridge MA USA. Spinal Circuits and Plasticity Unit National Institute of Neurological Disorders and Stroke Bethesda MD USA. Institute of Computational Biology Helmholtz Center Munich - German Research Center for Environmental Health Neuherberg Germany. Wellcome Sanger Institute Wellcome Genome Campus Cambridge UK. Department of Human Genetics University of California Los Angeles Los Angeles CA USA. Lieber Institute for Brain Development Baltimore MD USA. Department of Psychiatry Johns Hopkins School of Medicine Baltimore MD USA. Department of Neuroscience Johns Hopkins School of Medicine Baltimore MD USA. School of Computer Science and Engineering The Hebrew University of Jerusalem Jerusalem Israel. Racah Institute of Physics The Hebrew University of Jerusalem Jerusalem Israel. Faculty of Medicine The Hebrew University of Jerusalem Jerusalem Israel. Department of Biochemis

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Roadmap on multimode light shaping

arXiv

引用

arXiv 2021年

作者： Piccardo, Marco Ginis, Vincent Forbes, Andrew Mahler, Simon Friesem, Asher A. Davidson, Nir Ren, Haoran Dorrah, Ahmed H. Capasso, Federico Dullo, Firehun T. Ahluwalia, Balpreet S. Ambrosio, Antonio Gigan, Sylvain Treps, Nicolas Hiekkamäki, Markus Fickler, Robert Kues, Michael Moss, David Morandotti, Roberto Riemensberger, Johann Kippenberg, Tobias J. Faist, Jérôme Scalari, Giacomo Picqué, Nathalie Hänsch, Theodor W. Cerullo, Giulio Manzoni, Cristian Lugiato, Luigi A. Brambilla, Massimo Columbo, Lorenzo Gatti, Alessandra Prati, Franco Shiri, Abbas Abouraddy, Ayman F. Alù, Andrea Galiffi, Emanuele Pendry, J.B. Huidobro, Paloma A. Center for Nano Science and Technology Fondazione Istituto Italiano di Tecnologia Milano Italy Harvard John A. Paulson School of Engineering and Applied Sciences Harvard University CambridgeMA United States Data Lab/Applied Physics Vrije Universiteit Brussel Belgium School of Physics University of the Witwatersrand Johannesburg South Africa Department of Physics of Complex Systems Weizmann Institute of Science Rehovot Israel MQ Photonics Research Centre Department of Physics and Astronomy Macquarie University Macquarie ParkNSW Australia Department of Physics and Technology UiT-The Arctic University of Norway Tromsø Norway Laboratoire Kastler Brossel ENS-PSL Research University CNRS Sorbonne Université Collège de France Paris France Tampere University Photonics Laboratory Physics Unit Tampere Finland Institute of Photonics Leibniz University Hannover Germany Optical Sciences Centre Swinburne University of Technology Australia Energie Materiaux Telecommunications Institut National de la Recherche Scientifique Canada Lausanne Switzerland Institute for Quantum Electronics ETH Zurich Zürich Switzerland Max-Planck Institute of Quantum Optics Garching Germany Istituto di Fotonica e Nanotecnologia-CNR Dipartimento di Fisica Politecnico di Milano Milano Italy Dipartimento di Scienza e Alta Tecnologia Università dell'Insubria Como Italy Dipartimento di Fisica Interateneo and CNR-IFN Università e Politecnico di Bari Bari Italy Dipartimento di Elettronica e Telecomunicazioni Politecnico di Torino Torino Italy Istituto di Fotonica e Nanotecnologie IFN-CNR Milano Italy CREOL The College of Optics & Photonics University of Central Florida OrlandoFL United States Department of Electrical and Computer Engineering University of Central Florida OrlandoFL United States Advanced Science Research Center City University of New York United States The Blackett Laboratory Imperial College London London United Kingdom Instituto de Telecomunicações IST-University o

Our ability to generate new distributions of light has been remarkably enhanced in recent years. At the most fundamental level, these light patterns are obtained by ingeniously combining different electromagnetic modes. Interestingly, the modal superposition occurs in the spatial, temporal as well as spatio-temporal domain. This generalized concept of structured light is being applied across the entire spectrum of optics: generating classical and quantum states of light, harnessing linear and nonlinear light-matter interactions, and advancing applications in microscopy, spectroscopy, holography, communication, and synchronization. This Roadmap highlights the common roots of these different techniques and thus establishes links between research areas that complement each other seamlessly. We provide an overview of all these areas, their backgrounds, current research, and future developments. We highlight the power of multimodal light manipulation and want to inspire new eclectic approaches in this vibrant research community. Copyright © 2021, The Authors. All rights reserved.

关键词： Light

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A community-powered search of machine learning strategy space to find NMR property prediction models

arXiv

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arXiv 2020年

作者： Bratholm, Lars A. Gerrard, Will Anderson, Brandon Bai, Shaojie Choi, Sunghwan Dang, Lam Hanchar, Pavel Howard, Addison Huard, Guillaume Kim, Sanghoon Kolter, Zico Kondor, Risi Kornbluth, Mordechai Lee, Youhan Lee, Youngsoo Mailoa, Jonathan P. Nguyen, Thanh Tu Popovic, Milos Rakocevic, Goran Reade, Walter Song, Wonho Stojanovic, Luka Thiede, Erik H. Tijanic, Nebojsa Torrubia, Andres Willmott, Devin Butts, Craig P. Glowacki, David R. Participants, Kaggle School of Chemistry University of Bristol Cantock’s Close BristolBS8 1TS United Kingdom School of Mathematics University of Bristol Fry Building Woodland Road BristolBS1 1UG United Kingdom Dept. of Computer Science University of Bristol Merchant Venturer’s Building BristolBS8 1UB United Kingdom Intangible Realities Laboratory University of Bristol Cantock’s Close BristolBS8 1TS United Kingdom Bosch Center for Artificial Intelligence PittsburghPA15222 United States Carnegie Mellon University PittsburghPA15213 United States National Institute of Supercomputing and Network Korea Institute of Science and Technology Information 245 Daehak-ro Yuseong-gu Daejeon34141 Korea Republic of BNP Paribas Cardif Fyusion Inc. Kaggle Google Inc. Mountain View United States Ebay Korea 34F Gangnam Finance Center 152 Teheran Ro Gangnam Gu Seoul Korea Republic of Department of Computer Science University of Chicago 5730 S Ellis Ave ChicagoIL60637 United States Department of Statistics University of Chicago 5747 S Ellis Ave ChicagoIL60637 United States Center for Computational Mathematics Flatiron Institute 162 5th Ave. New YorkNY10010 United States Bosch Research and Technology Center CambridgeMA02139 United States Department of Chemical and Biomolecular Engineering Korea Advanced Institute of Science and Technology 291 Daehak-ro Yuseong-gu Daejeon34141 Korea Republic of 111 Daedeok-daero 989beon-gil Yuseong-gu Daejeon Korea Republic of MINDS AND COMPANY 2621 Nambusunhwan-ro Gangnam-gu Seoul06267 Korea Republic of Totient Inc Sindjeliceva 9 Belgrade11000 Serbia KAIST Web Security & Privacy Lab 291 Daehak-ro Yuseong-guDaejeon34141 Korea Republic of *** Alicante Spain

The rise of machine learning (ML) has created an explosion in the potential strategies for using data to make scientific predictions. For physical scientists wishing to apply ML strategies to a particular domain, it can be difficult to assess in advance what strategy to adopt within a vast space of possibilities. Here we outline the results of an online community-powered effort to swarm search the space of ML strategies and develop algorithms for predicting atomic-pairwise nuclear magnetic resonance (NMR) properties in molecules. Using an open-source dataset, we worked with Kaggle to design and host a 3-month competition which received 47,800 ML model predictions from 2,700 teams in 84 countries. Within 3 weeks, the Kaggle community produced models with comparable accuracy to our best previously published ‘in-house’ efforts. A meta-ensemble model constructed as a linear combination of the top predictions has a prediction accuracy which exceeds that of any individual model, 7-19x better than our previous state-of-the-art. The results highlight the potential of transformer architectures for predicting quantum mechanical (QM) molecular properties. Copyright © 2020, The Authors. All rights reserved.

关键词： Nuclear magnetic resonance

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Quantum Simulation for High-Energy Physics

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PRX Quantum 2023年第2期4卷 027001-027001页

作者： Christian W. Bauer Zohreh Davoudi A. Baha Balantekin Tanmoy Bhattacharya Marcela Carena Wibe A. de Jong Patrick Draper Aida El-Khadra Nate Gemelke Masanori Hanada Dmitri Kharzeev Henry Lamm Ying-Ying Li Junyu Liu Mikhail Lukin Yannick Meurice Christopher Monroe Benjamin Nachman Guido Pagano John Preskill Enrico Rinaldi Alessandro Roggero David I. Santiago Martin J. Savage Irfan Siddiqi George Siopsis David Van Zanten Nathan Wiebe Yukari Yamauchi Kübra Yeter-Aydeniz Silvia Zorzetti Physics Division Lawrence Berkeley National Laboratory Berkeley California 94720 USA Department of Physics Maryland Center for Fundamental Physics and the NSF Institute for Robust Quantum Simulation University of Maryland College Park Maryland 20742 USA Department of Physics University of Wisconsin Madison Wisconsin 53706 USA T-2 Los Alamos National Laboratory Los Alamos New Mexico 87545 USA Fermi National Accelerator Laboratory Batavia Illinois 60510 USA Enrico Fermi Institute University of Chicago Chicago Illinois 60637 USA Kavli Institute for Cosmological Physics University of Chicago Chicago Illinois 60637 USA Department of Physics University of Chicago Chicago Illinois 60637 USA Department of Physics and Illinois Center for the Advanced Study of the Universe and Illinois Quantum Information Science and Technology Center University of Illinois Urbana Illinois 61801 USA QuEra Computing Inc Boston Massachusetts 02135 USA Department of Mathematics University of Surrey Guildford Surrey GU2 7XH United Kingdom Center for Nuclear Theory Department of Physics and Astronomy Stony Brook University New York 11794-3800 USA Department of Physics Brookhaven National Laboratory Upton New York 11973 USA Peng Huanwu Center for Fundamental Theory Hefei Anhui 230026 China Interdisciplinary Center for Theoretical Study University of Science and Technology of China Hefei Anhui 230026 China Pritzker School of Molecular Engineering Chicago Quantum Exchange and Kadanoff Center for Theoretical Physics University of Chicago Illinois 60637 USA qBraid Co. Harper Court 5235 Chicago Illinois 60615 USA Department of Physics Harvard University Cambridge Massachusetts 02138 USA Department of Physics and Astronomy University of Iowa Iowa City Iowa 52242 USA Duke Quantum Center Duke University Durham North Carolina 27701 USA Department of Electrical and Computer Engineering Duke University Durham North Carolina 27708 USA Department of Physics Duke University

It is for the first time that quantum simulation for high-energy physics (HEP) is studied in the U.S. decadal particle-physics community planning, and in fact until recently, this was not considered a mainstream topic in the community. This fact speaks of a remarkable rate of growth of this subfield over the past few years, stimulated by the impressive advancements in quantum information sciences (QIS) and associated technologies over the past decade, and the significant investment in this area by the government and private sectors in the U.S. and other countries. High-energy physicists have quickly identified problems of importance to our understanding of nature at the most fundamental level, from tiniest distances to cosmological extents, that are intractable with classical computers but may benefit from quantum advantage. They have initiated, and continue to carry out, a vigorous program in theory, algorithm, and hardware co-design for simulations of relevance to the HEP mission. This Roadmap is an attempt to bring this exciting and yet challenging area of research to the spotlight, and to elaborate on what the promises, requirements, challenges, and potential solutions are over the next decade and beyond.

关键词： Quantum simulation

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