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CEUR Workshop Proceedings 2022年 3091卷

作者： Kovalev, Igor Semenkin, Eugene Schwenker, Friedhelm Shaidurov, Vladimir Ganchev, Todor Škraba, Andrej Stanimirović, Predrag Kolehmainen, Mikko Kronberger, Gabriel Affenzeller, Michael Brester, Christina Ryzhikov, Ivan Kazakovtsev, Lev Sopov, Evgenii Semenkina, Maria Akhmedova, Shakhnaz Stanovov, Vladimir Krasnoyarsk Regional Science and Technology City Hall Department of Computer Science of Siberian Federal University Krasnoyarsk Russia Siberian Institute of Applied System Analysis named after A.N. Antamoshkin The Department ofsystem analysis and operations research of Reshetnev University Krasnoyarsk Russia Institute of Neural Information Processing Ulm University Ulm Germany The Institute of Computational Modeling SB RAS Krasnoyarsk Russia Technical University of Varna Varna Bulgaria University of Maribor UM Faculty of Organizational Sciences Cybernetics and Decision Support Systems Laboratory Slovenia Department of Computer Science Niš Serbia Department of Environmental and Biological Sciences Environmental Informatics University of Eastern Finland Kuopio Finland University of Applied Sciences Upper Austria Hagenberg Austria Department of Software Engineering School of Informatics Communications and Media University of Applied Sciences Upper Austria Hagenberg Austria University of Eastern Finland UEF · Department of Environmental Science Kuopio Finland The Department of Systems Analysis Reshetnev University of Science and Technology Krasnoyarsk Russia Siberian Institute of Applied System Analysis Krasnoyarsk Russia University of Applied Sciences Upper Austria and Softwarepark Hagenberg Austria Reshetnev Siberian States University of Science and Technology Siberian Institute of Applied System Analysis Krasnoyarsk Russia SibSAU · Institute of computer science and telecommunications Krasnoyarsk Russia

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25th Annual computational Neuroscience Meeting CNS-2016, Seogwipo City, South Korea, July 2-7, 2016 Abstracts

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BMC NEUROscience 2016年第Sup1期17卷 54-54页

作者： [Anonymous] Computational Neurobiology Laboratory The Salk Institute for Biological Studies San Diego CA USA UNIC CNRS Gif sur Yvette France The European Institute for Theoretical Neuroscience (EITN) Paris France ATR Computational Neuroscience Laboratories 2-2 Hikaridai Seika-cho Soraku-gun Kyoto 619-0288 Japan Krembil Research Institute University Health Network Toronto ON M5T 2S8 Canada Department of Physiology University of Toronto Toronto ON M5S 1A8 Canada Department of Medicine (Neurology) University of Toronto Toronto ON M5T 2S8 Canada Department of Neurophysiology Nencki Institute of Experimental Biology Warsaw Poland Department of Theory Wigner Research Centre for Physics of the Hungarian Academy of Sciences Budapest 1121 Hungary Department of Mathematical Sciences KAIST Daejoen 34141 Republic of Korea Department of Mathematics University of Houston Houston TX 77004 USA Department of Biochemistry & Cell Biology and Institute of Biosciences and Bioengineering Rice University Houston TX 77005 USA Department of Biology and Biochemistry University of Houston Houston TX 77004 USA Grupo de Neurocomputación Biológica Dpto. de Ingeniería Informática Escuela Politécnica Superior Universidad Autónoma de Madrid Madrid Spain Department of Biological Sciences University of Southern California Los Angeles CA USA Center for Neuroscience Korea Institute of Science and Technology Hwarang-ro 14-gil 5 Seongbuk-gu Seoul 02792 South Korea Department of Neuroscience University of Science and Technology 217 Gajeong-ro Yuseong-gu Daejon 34113 South Korea Department of Psychology Yonsei University 50 Yonsei-ro Seodaemun-gu Seoul 03722 South Korea Department of Psychiatry Kyung Hee University Hospital at Gangdong 892 Dongnam-ro Gangdong-gu Seoul 05278 South Korea Department of Psychiatry Veterans Administration Boston Healthcare System and Harvard Medical School Brockton MA 02301 USA Center for Neural Science New York University New York NY 10003 USA Courant Institute

A1 Functional advantages of cell-type heterogeneity in neural circuits Tatyana O. Sharpee A2 Mesoscopic modeling of propagating waves in visual cortex Alain Destexhe A3 Dynamics and biomarkers of mental disorders Mitsuo Kawato F1 Precise recruitment of spiking output at theta frequencies requires dendritic h-channels in multi-compartment models of oriens-lacunosum/moleculare hippocampal interneurons Vladislav Sekulić, Frances K. Skinner F2 Kernel methods in reconstruction of current sources from extracellular potentials for single cells and the whole brains Daniel K. Wójcik, Chaitanya Chintaluri, Dorottya Cserpán, Zoltán Somogyvári F3 The synchronized periods depend on intracellular transcriptional repression mechanisms in circadian clocks. Jae Kyoung Kim, Zachary P. Kilpatrick, Matthew R. Bennett, Kresimir Josić O1 Assessing irregularity and coordination of spiking-bursting rhythms in central pattern generators Irene Elices, David Arroyo, Rafael Levi, Francisco B. Rodriguez, Pablo Varona O2 Regulation of top-down processing by cortically-projecting parvalbumin positive neurons in basal forebrain Eunjin Hwang, Bowon Kim, Hio-Been Han, Tae Kim, James T. McKenna, Ritchie E. Brown, Robert W. McCarley, Jee Hyun Choi O3 Modeling auditory stream segregation, build-up and bistability James Rankin, Pamela Osborn Popp, John Rinzel O4 Strong competition between tonotopic neural ensembles explains pitch-related dynamics of auditory cortex evoked fields Alejandro Tabas, André Rupp, Emili Balaguer-Ballester O5 A simple model of retinal response to multi-electrode stimulation Matias I. Maturana, David B. Grayden, Shaun L. Cloherty, Tatiana Kameneva, Michael R. Ibbotson, Hamish Meffin O6 Noise correlations in V4 area correlate with behavioral performance in visual discrimination task Veronika Koren, Timm Lochmann, Valentin Dragoi, Klaus Obermayer O7 Input-location dependent gain modulation in cerebellar nucleus neurons Maria Psarrou, Maria Schilstra, Neil Davey, Benjamin Torben-Ni

关键词： NEUROscienceS PATHOLOGICAL psychology DENDRITES

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NWChem: Past, present, and future

arXiv

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arXiv 2020年

作者： Aprà, E. Bylaska, E.J. de Jong, W.A. Govind, N. Kowalski, K. Straatsma, T.P. Valiev, M. van Dam, H.J.J. Alexeev, Y. Anchell, J. Anisimov, V. Aquino, F.W. Atta-Fynn, R. Autschbach, J. Bauman, N.P. Becca, J.C. Bernholdt, D.E. Bhaskaran-Nair, K. Bogatko, S. Borowski, P. Boschen, J. Brabec, J. Bruner, A. Cauët, E. Chen, Y. Chuev, G.N. Cramer, C.J. Daily, J. Deegan, M.J.O. Dunning, T.H. Dupuis, M. Dyall, K.G. Fann, G.I. Fischer, S.A. Fonari, A. Früchtl, H. Gagliardi, L. Garza, J. Gawande, N. Ghosh, S. Glaesemann, K. Götz, A.W. Hammond, J. Helms, V. Hermes, E.D. Hirao, K. Hirata, S. Jacquelin, M. Jensen, L. Johnson, B.G. Jónsson, H. Kendall, R.A. Klemm, M. Kobayashi, R. Konkov, V. Krishnamoorthy, S. Krishnan, M. Lin, Z. Lins, R.D. Littlefield, R.J. Logsdail, A.J. Lopata, K. Ma, W. Marenich, A.V. Martin del Campo, J. Mejia-Rodriguez, D. Moore, J.E. Mullin, J.M. Nakajima, T. Nascimento, D.R. Nichols, J.A. Nichols, P.J. Nieplocha, J. Otero-de-la-Roza, A. Palmer, B. Panyala, A. Pirojsirikul, T. Peng, B. Peverati, R. Pittner, J. Pollack, L. Richard, R.M. Sadayappan, P. Schatz, G.C. Shelton, W.A. Silverstein, D.W. Smith, D.M.A. Soares, T.A. Song, D. Swart, M. Taylor, H.L. Thomas, G.S. Tipparaju, V. Truhlar, D.G. Tsemekhman, K. van Voorhis, T. Vázquez-Mayagoitia, Á. Verma, P. Villa, O. Vishnu, A. Vogiatzis, K.D. Wang, D. Weare, J.H. Williamson, M.J. Windus, T.L. Woliński, K. Wong, A.T. Wu, Q. Yang, C. Yu, Q. Zacharias, M. Zhang, Z. Zhao, Y. Harrison, R.J. Pacific Northwest National Laboratory RichlandWA99352 United States Lawrence Berkeley National Laboratory BerkeleyCA94720 United States National Center for Computational Sciences Oak Ridge National Laboratory Oak RidgeTN37831 United States Brookhaven National Laboratory UptonNY11973 United States Argonne Leadership Computing Facility Argonne National Laboratory ArgonneIL60439 United States Intel Corporation Santa ClaraCA95054 United States QSimulate CambridgeMA02139 United States Department of Physics University of Texas at Arlington ArlingtonTX76019 United States Department of Chemistry University at Buffalo State University of New York BuffaloNY14260 United States Department of Chemistry Pennsylvania State University University ParkPA16802 United States Oak Ridge National Laboratory Oak RidgeTN37831 United States Washington University St. LouisMO63130 United States 4G Clinical WellesleyMA02481 United States Faculty of Chemistry Maria Curie-Sklodowska University in Lublin Lublin20-031 Poland Department of Chemistry Iowa State University AmesIA50011 United States J. Heyrovský Institute of Physical Chemistry Academy of Sciences of the Czech Republic Prague 818223 Czech Republic Department of Chemistry and Physics University of Tennessee at Martin MartinTN38238 United States Université libre de Bruxelles BrusselsB-1050 Belgium Facebook Menlo ParkCA94025 United States Institute of Theoretical and Experimental Biophysics Russian Academy of Science Pushchino Moscow142290 Russia Department of Chemistry Chemical Theory Center Supercomputing Institute University of Minnesota MinneapolisMN55455 United States SKAO Jodrell Bank Observatory MacclesfieldSK11 9DL United Kingdom Department of Chemistry University of Washington SeattleWA98195 United States Dirac Solutions PortlandOR97229 United States Chemistry Division U. S. Naval Research Laboratory WashingtonDC20375 United States School of Chemistry and Biochemis

Specialized computational chemistry packages have permanently reshaped the landscape of chemical and materials science by providing tools to support and guide experimental efforts and for the prediction of atomistic and electronic properties. In this regard, electronic structure packages have played a special role by using first-principle-driven methodologies to model complex chemical and materials processes. Over the last few decades, the rapid development of computing technologies and the tremendous increase in computational power have offered a unique chance to study complex transformations using sophisticated and predictive many-body techniques that describe correlated behavior of electrons in molecular and condensed phase systems at different levels of theory. In enabling these simulations, novel parallel algorithms have been able to take advantage of computational resources to address the polynomial scaling of electronic structure methods. In this paper, we briefly review the NWChem computational chemistry suite, including its history, design principles, parallel tools, current capabilities, outreach and outlook. Copyright © 2020, The Authors. All rights reserved.

关键词： computational chemistry

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How to verify the precision of density-functional-theory implementations via reproducible and universal workflows

arXiv

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arXiv 2023年

作者： Bosoni, Emanuele Beal, Louis Bercx, Marnik Blaha, Peter Blügel, Stefan Bröder, Jens Callsen, Martin Cottenier, Stefaan Degomme, Augustin Dikan, Vladimir Eimre, Kristjan Flage-Larsen, Espen Fornari, Marco Garcia, Alberto Genovese, Luigi Giantomassi, Matteo Huber, Sebastiaan P. Janssen, Henning Kastlunger, Georg Krack, Matthias Kresse, Georg Kühne, Thomas D. Lejaeghere, Kurt Madsen, Georg K.H. Marsman, Martijn Marzari, Nicola Michalicek, Gregor Mirhosseini, Hossein Müller, Tiziano M.A. Petretto, Guido Pickard, Chris J. Poncé, Samuel Rignanese, Gian-Marco Rubel, Oleg Ruh, Thomas Sluydts, Michael Vanpoucke, Danny E.P. Vijay, Sudarshan Wolloch, Michael Wortmann, Daniel Yakutovich, Aliaksandr V. Yu, Jusong Zadoks, Austin Zhu, Bonan Pizzi, Giovanni Institut de Ciència de Materials de Barcelona ICMAB-CSIC Campus UAB Bellaterra08193 Spain Univ. Grenoble-Alpes CEA IRIG-MEM-L Sim Grenoble38000 France LausanneCH-1015 Switzerland Institute for Materials Chemistry Technical University of Vienna Getreidemarkt 9/165-TC ViennaA-1060 Austria Peter Grünberg Institut Institute for Advanced Simulation Forschungszentrum Jülich JARA JülichD-52425 Germany Forschungszentrum Jülich JülichD-52425 Germany Department of Electromechanical Systems and Metal Engineering Ghent University Belgium Ghent University Belgium Institute of Atomic and Molecular Sciences Academia Sinica Taipei10617 Taiwan Norwegian EuroHPC Competence Center Sigma2 AS Norway SINTEF Industry Materials Physics Oslo Norway Department of Physics Science of Advanced Materials Program Central Michigan University Mount PleasantMI48859 United States Université catholique de Louvain Chemin des Étoiles 8 Louvain-la-Neuve1348 Belgium LausanneCH-1015 Switzerland Kongens Lyngby2800 Denmark VilligenCH-5232 Switzerland University of Vienna Faculty of Physics Center for Computational Materials Science Kolingasse 14-16 ViennaA-1090 Austria VASP Software GmbH Sensengasse 8 ViennaA-1090 Austria Helmholtz-Zentrum Dresden-Rossendorf GörlitzD-02826 Germany Center for Sustainable Systems Design University of Paderborn PaderbornD-33098 Germany OCAS NV ArcelorMittal Global R&D Gent Pres. J. F. Kennedylaan 3 ZelzateB-9060 Belgium Dynamics of Condensed Matter Theoretical Chemistry University of Paderborn PaderbornD-33098 Germany HPE HPC EMEA Research Lab BaselCH-4051 Switzerland Department of Materials Science & Metallurgy University of Cambridge 27 Charles Babbage Road CambridgeCB3 0FS United Kingdom Advanced Institute for Materials Research Tohoku University 2-1-1 Katahira Aoba Sendai980-8577 Japan Department of Materials Science and Engineering McMaster University 1280 Main Street West HamiltonONL8S 4L8 Canada ePot

In the past decades many density-functional theory methods and codes adopting periodic boundary conditions have been developed and are now extensively used in condensed matter physics and materials science research. Only in 2016, however, their precision (i.e., to which extent properties computed with different codes agree among each other) was systematically assessed on elemental crystals: a first crucial step to evaluate the reliability of such computations. We discuss here general recommendations for verification studies aiming at further testing precision and transferability of density-functional-theory computational approaches and codes. We illustrate such recommendations using a greatly expanded protocol covering the whole periodic table from Z=1 to 96 and characterizing 10 prototypical cubic compounds for each element: 4 unaries and 6 oxides, spanning a wide range of coordination numbers and oxidation states. The primary outcome is a reference dataset of 960 equations of state cross-checked between two all-electron codes, then used to verify and improve nine pseudopotential-based approaches. Such effort is facilitated by deploying AiiDA common workflows that perform automatic input parameter selection, provide identical input/output interfaces across codes, and ensure full reproducibility. Finally, we discuss the extent to which the current results for total energies can be reused for different goals (e.g., obtaining formation energies). © 2023, CC BY.

关键词： Density functional theory

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Extending the π-Conjugated System in Spiro-Type Hole Transport Material Enhances the Efficiency and Stability of Perovskite Solar Modules

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Angewandte Chemie 2023年第29期135卷

作者： Xuepeng Liu Bin Ding Mingyuan Han Zhenhai Yang Jianlin Chen Pengju Shi Xiangying Xue Rahim Ghadari Xianfu Zhang Rui Wang Keith Brooks Li Tao Sachin Kinge Songyuan Dai Jiang Sheng Paul J. Dyson Mohammad Khaja Nazeeruddin Yong Ding Beijing Key Laboratory of Novel Thin-Film Solar Cells School of New Energy North China Electric Power University Beijing 102206 P. R. China Contribution: Investigation (lead) Institute of Chemical Sciences and Engineering École Polytechnique Fédérale de Lausanne (EPFL) 1015 Lausanne Switzerland Contribution: Methodology (lead) Contribution: Methodology (equal) Ningbo Institute of Materials Technology and Engineering Chinese Academy of Sciences (CAS) Ningbo 315201 China Contribution: Data curation (equal) Contribution: Validation (equal) School of Engineering Westlake University Hangzhou 310024 China Contribution: Formal analysis (equal) Contribution: Investigation (equal) Computational Chemistry Laboratory Department of Organic and Biochemistry Faculty of Chemistry University of Tabriz Tabriz *** Iran Contribution: Software (lead) Contribution: Visualization (equal) School of Microelectronic & Faculty of Physics and Electronic Science Hubei University Wuhan 430062 China Toyota Motor Europe Toyota Motor Technical Centre Advanced Technology Div. Hoge Wei 33 1930 Zaventum Belgium Contribution: Resources (equal) Contribution: Supervision (equal) Contribution: Writing - original draft (equal) Writing - review & editing (equal) Contribution: Conceptualization (equal) Writing - original draft (equal) Writing - review & editing (equal) Contribution: Supervision (equal) Writing - original draft (lead)

Hole transport materials (HTMs) are a key component of perovskite solar cells (PSCs). The small molecular 2,2′,7,7′-tetrakis(N,N-di-p-methoxyphenyl)-amine-9,9′-spirobifluorene (spiro-OMeTAD, termed “Spiro”) is the most successful HTM used in PSCs, but its versatility is imperfect. To improve its performance, we developed a novel spiro-type HTM (termed “DP”) by substituting four anisole units on Spiro with 4-methoxybiphenyl moieties. By extending the π-conjugation of Spiro in this way, the HOMO level of the HTM matches well with the perovskite valence band, enhancing hole mobility and increasing the glass transition temperature. DP-based PSC achieves high power conversion efficiencies (PCEs) of 25.24 % for small-area (0.06 cm 2 ) devices and 21.86 % for modules (designated area of 27.56 cm 2 ), along with the certified efficiency of 21.78 % on a designated area of 27.86 cm 2 . The encapsulated DP-based devices maintain 95.1 % of the initial performance under ISOS-L-1 conditions after 2560 hours and 87 % at the ISOS-L-3 conditions over 600 hours.

关键词： Hole Transport Materials Modules Perovskite Solar Cells π-Conjugated System Stability

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FUTURE-AI: International consensus guideline for trustworthy and deployable artificial intelligence in healthcare

arXiv

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arXiv 2023年

作者： Lekadir, Karim Feragen, Aasa Fofanah, Abdul Joseph Frangi, Alejandro F. Buyx, Alena Emelie, Anais Lara, Andrea Porras, Antonio R. Chan, An-Wen Navarro, Arcadi Glocker, Ben Botwe, Benard O. Khanal, Bishesh Beger, Brigit Wu, Carol C. Cintas, Celia Langlotz, Curtis P. Rueckert, Daniel Mzurikwao, Deogratias Fotiadis, Dimitrios I. Zhussupov, Doszhan Ferrante, Enzo Meijering, Erik Weicken, Eva González, Fabio A. Asselbergs, Folkert W. Prior, Fred Krestin, Gabriel P. Collins, Gary S. Tegenaw, Geletaw S. Kaissis, Georgios Misuraca, Gianluca Tsakou, Gianna Dwivedi, Girish Kondylakis, Haridimos Jayakody, Harsha Woodruf, Henry C. Mayer, Horst Joachim Aerts, Hugo JWL Walsh, Ian Chouvarda, Ioanna Buvat, Irène Tributsch, Isabell Rekik, Islem Duncan, James Kalpathy-Cramer, Jayashree Zahir, Jihad Park, Jinah Mongan, John Gichoya, Judy W. Schnabel, Julia A. Kushibar, Kaisar Riklund, Katrine Mori, Kensaku Marias, Kostas Amugongo, Lameck M. Fromont, Lauren A. Maier-Hein, Lena Alberich, Leonor Cerdá Rittner, Leticia Phiri, Lighton Marrakchi-Kacem, Linda Donoso-Bach, Lluís Martí-Bonmatí, Luis Cardoso, M. Jorge Bobowicz, Maciej Shabani, Mahsa Tsiknakis, Manolis Zuluaga, Maria A. Bielikova, Maria Fritzsche, Marie-Christine Camacho, Marina Linguraru, Marius George Wenzel, Markus De Bruijne, Marleen Tolsgaard, Martin G. Ghassemi, Marzyeh Ashrafuzzaman, Md Goisauf, Melanie Yaqub, Mohammad Abadía, Mónica Cano Mahmoud, Mukhtar M.E. Elattar, Mustafa Rieke, Nicola Papanikolaou, Nikolaos Lazrak, Noussair Díaz, Oliver Salvado, Olivier Pujol, Oriol Sall, Ousmane Guevara, Pamela Gordebeke, Peter Lambin, Philippe Brown, Pieta Abolmaesumi, Purang Dou, Qi Lu, Qinghua Osuala, Richard Nakasi, Rose Zhou, S. Kevin Napel, Sandy Colantonio, Sara Albarqouni, Shadi Joshi, Smriti Carter, Stacy Klein, Stefan Petersen, Steffen E. Aussó, Susanna Awate, Suyash Raviv, Tammy Riklin Cook, Tessa Mutsvangwa, Tinashe E.M. Rogers, Wendy A. Niessen, Wiro J. Puig-Bosch, Xènia Zeng, Yi Mohammed, Yunusa G. Aquino, Yves Saint James Salahuddin, Zohaib Starmans, Martijn P.A. Department de Matemàtiques i Informàtica Universitat de Barcelona Barcelona Spain Barcelona Spain DTU Compute Technical University of Denmark Kgs Lyngby Denmark Department of Mathematics and Computer Science Faculty of Science and Technology Milton Margai Technical University Freetown Sierra Leone Center for Computational Imaging & Simulation Technologies in Biomedicine Schools of Computing and Medicine University of Leeds Leeds United Kingdom Cardiovascular Science and Electronic Engineering Departments KU Leuven Leuven Belgium Institute of History and Ethics in Medicine Technical University of Munich Munich Germany Faculty of Engineering of Systems Informatics and Sciences of Computing Galileo University Guatemala City Guatemala Department of Biostatistics and Informatics Colorado School of Public Health University of Colorado Anschutz Medical Campus AuroraCO United States Department of Medicine Women’s College Research Institute University of Toronto Toronto Canada Universitat Pompeu Fabra BarcelonaBeta Brain Research Center Barcelona Spain Department of Computing Imperial College London London United Kingdom School of Biomedical & Allied Health Sciences University of Ghana Accra Ghana Department of Midwifery & Radiography School of Health & Psychological Sciences City University of London United Kingdom Kathmandu Nepal European Heart Network Brussels Belgium Department of Thoracic Imaging University of Texas MD Anderson Cancer Center Houston United States IBM Research Africa Nairobi Kenya Departments of Radiology Medicine and Biomedical Data Science Stanford University School of Medicine Stanford United States Institute for AI and Informatics in Medicine Klinikum rechts der Isar Technical University Munich Munich Germany Department of Computing Imperial College London London United Kingdom Muhimbili University of Health and Allied Sciences Dar es Salaam Tanzania United Republic of Ioannina Greece Almaty AI Lab Almaty Kazakhstan

Background: Despite major advances in artificial intelligence (AI) research for healthcare, the deployment and adoption of AI technologies remain limited in clinical practice. In recent years, concerns have been raised about the clinical, technical, ethical and legal risks associated with healthcare AI. To increase adoption in the real world, it is essential that AI technologies are trusted and accepted by patients, clinicians, health organisations and authorities. This paper describes the FUTURE-AI framework as the first international consensus guideline for trustworthy AI in healthcare. Methods: The FUTURE-AI consortium was founded in 2021 and now comprises 117 interdisciplinary experts from 50 countries representing all continents, including AI scientists, clinical researchers, biomedical ethicists, and social scientists. Over a two-year period, the consortium established guiding principles and best practices for trustworthy and deployable AI through an iterative process comprising an in-depth literature review, a modified Delphi survey, and online consensus meetings. Findings: The FUTURE-AI framework was established based on six guiding principles for trustworthy AI in healthcare, i.e. Fairness, Universality, Traceability, Usability, Robustness and Explainability. Through consensus, a set of 30 best practices were defined, addressing technical, clinical, socio-ethical and legal dimensions of trustworthy AI. The recommendations cover the entire lifecycle of healthcare AI, from design, development and validation to regulation, deployment, and monitoring. Interpretation: FUTURE-AI is a structured, risk-informed framework which provides guidance for constructing healthcare AI tools that will be trusted, deployed and adopted in real-world clinical practice. Researchers are encouraged to take the recommendations into account in proof-of-concept stages to facilitate future translation towards clinical practice of healthcare AI. Copyright © 2023, The Authors. All rights

关键词： Clinical research

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The Astropy Project: Sustaining and Growing a Community-oriented Open-source Project and the Latest Major Release (v5.0) of the Core Package

arXiv

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arXiv 2022年

作者： Price-Whelan, Adrian M. Lim, Pey Lian Earl, Nicholas Starkman, Nathaniel Bradley, Larry Shupe, David L. Patil, Aarya A. Corrales, Lia Brasseur, C.E. Nöthe, Maximilian Donath, Axel Tollerud, Erik Morris, Brett M. Ginsburg, Adam Vaher, Eero Weaver, Benjamin A. Tocknell, James Jamieson, William Van Kerkwijk, Marten H. Robitaille, Thomas P. Merry, Bruce Bachetti, Matteo Aldcroft, Thomas L. Alvarado-Montes, Jaime A. Archibald, Anne M. Bódi, Attila Bapat, Shreyas Barentsen, Geert Bazán, Juanjo Biswas, Manish Boquien, Médéric Burke, D.J. Cara, Daria Cara, Mihai Conroy, Kyle E. Conseil, Simon Craig, Matthew W. Cross, Robert M. Cruz, Kelle L. D'Eugenio, Francesco Dencheva, Nadia Devillepoix, Hadrien A. R. Dietrich, Jörg P. Eigenbrot, Arthur Davis Erben, Thomas Ferreira, Leonardo Foreman-Mackey, Daniel Fox, Ryan Freij, Nabil Garg, Suyog Geda, Robel Glattly, Lauren Gondhalekar, Yash Gordon, Karl D. Grant, David Greenfield, Perry Groener, Austen M. Guest, Steve Gurovich, Sebastian Handberg, Rasmus Hart, Akeem Hatfield-Dodds, Zac Homeier, Derek Hosseinzadeh, Griffin Jenness, Tim Jones, Craig K. Joseph, Prajwel Kalmbach, J. Bryce Karamehmetoglu, Emir Kaluszynski, Mikolaj Kelley, Michael S. P. Kern, Nicholas Kerzendorf, Wolfgang E. Koch, Eric W. Kulumani, Shankar Lee, Antony Ly, Chun Ma, Zhiyuan MacBride, Conor Maljaars, Jakob M. Muna, Demitri Murphy, N.A. Norman, Henrik O'Steen, Richard Oman, Kyle A. Pacifici, Camilla Pascual, Sergio Pascual-Granado, J. Patil, Rohit R. Perren, Gabriel I. Pickering, Timothy E. Rastogi, Tanuj Roulston, Benjamin R. Ryan, Daniel F. Rykoff, Eli S. Sabater, Jose Sakurikar, Parikshit Salgado, Jesús Sanghi, Aniket Saunders, Nicholas Savchenko, Volodymyr Schwardt, Ludwig Seifert-Eckert, Michael Shih, Albert Y. Jain, Anany Shrey Shukla, Gyanendra Sick, Jonathan Simpson, Chris Singanamalla, Sudheesh Singer, Leo P. Singhal, Jaladh Sinha, Manodeep Sipocz, Brigitta M. Spitler, Lee R. Stansby, David Streicher, Ole Šumak, Jani Swinbank, John D. Taranu, Dan S. Tewary, Nikita Tremblay, Grant R. De Val-Borro, Mi Center for Computational Astrophysics Flatiron Institute 162 5th Ave New YorkNY10010 United States Space Telescope Science Institute 3700 San Martin Drive BaltimoreMD21218 United States Department of Astronomy University of Illinois at Urbana-Champaign 1002 W. Green St. UrbanaIL61801 United States David A. Dunlap Department of Astronomy & Astrophysics University of Toronto 50 St. George Street TorontoONM5S 3H4 Canada IPAC MC 100-22 Caltech 1200E. California Blvd. PasadenaCA91125 United States Dunlap Institute for Astronomy & Astrophysics University of Toronto 50 St George Street TorontoONM5S 3H4 Canada University of Michigan Astronomy 1085 S. University Ann ArborMI48109 United States School of Physics and Astronomy University of St Andrews North Haugh St AndrewsKY16 9SS United Kingdom Astroparticle Physics TU Dortmund Otto-Hahn-Str. 4a Dortmund44227 Germany Center for Astrophysics-Harvard & Smithsonian 60 Garden Street CambridgeMA02138 United States Center for Space and Habitability University of Bern Gesellschaftsstrasse 6 Bern3012 Switzerland Department of Astronomy University of Florida P.O. Box 112055 GainesvilleFL United States Lund Observatory Department of Astronomy and Theoretical Physics Lund University Box 43 Lund22100 Sweden NSF's National Optical-Infrared Astronomy Research Laboratory 950 North Cherry Avenue TucsonAZ85719 United States School of Mathematical and Physical Sciences Macquarie University SydneyNSW2109 Australia Astronomy Astrophysics and Astrophotonics Research Centre Macquarie University SydneyNSW2109 Australia Australian Astronomical Optics Macquarie University SydneyNSW2109 Australia Aperio Software Ltd. Insight House Riverside Business Park Stoney Common Road Essex StanstedCM24 8PL United Kingdom South African Radio Astronomy Observatory 2 Fir Street Black River Park Observatory7925 South Africa I-09047 Italy San Diego Supercomputer Center University of California San Diego 95

The Astropy Project supports and fosters the development of open-source and openly developed Python packages that provide commonly needed functionality to the astronomical community. A key element of the Astropy Project is the core package astropy, which serves as the foundation for more specialized projects and packages. In this article, we summarize key features in the core package as of the recent major release, version 5.0, and provide major updates for the Project. We then discuss supporting a broader ecosystem of interoperable packages, including connections with several astronomical observatories and missions. We also revisit the future outlook of the Astropy Project and the current status of Learn Astropy. We conclude by raising and discussing the current and future challenges facing the Project. © 2022, CC BY-SA.

关键词： Python

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CHEOPS in-flight performance A comprehensive look at the first 3.5 years of operations

arXiv

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arXiv 2024年

作者： Fortier, A. Simon, A.E. Broeg, C. Olofsson, G. Deline, A. Wilson, T.G. Maxted, P.F.L. Brandeker, A. Cameron, A. Collier Beck, M. Bekkelien, A. Billot, N. Bonfanti, A. Bruno, G. Cabrera, J. Delrez, L. Demory, B.-O. Futyan, D. Florén, H.-G. Günther, M.N. Heitzmann, A. Hoyer, S. Isaak, K.G. Sousa, S.G. Stalport, M. Turin, A. Verhoeve, P. Akinsanmi, B. Alibert, Y. Alonso, R. Bánhidi, D. Bárczy, T. Barrado, D. Barros, S.C.C. Baumjohann, W. Baycroft, T. Beck, T. Benz, W. Bíró, B.I. Bódi, A. Bonfils, X. Borsato, L. Charnoz, S. Cseh, B. Csizmadia, Sz. Csányi, I. Cubillos, P.E. Davies, M.B. Davis, Y.T. Deleuil, M. Demangeon, O.D.S. Derekas, A. Dransfield, G. Ducrot, E. Ehrenreich, D. Erikson, A. Fariña, C. Fossati, L. Fridlund, M. Gandolfi, D. Garai, Z. Garcia, L. Gillon, M. Chew, Y. Gómez Maqueo Gómez-Muñoz, M.A. Granata, V. Güdel, M. Guterman, P. Hegedüs, T. Helling, Ch. Jehin, E. Kalup, Cs. Kilkenny, D. Kiss, L.L. Kriskovics, L. Lam, K.W.F. Laskar, J. des Etangs, A. Lecavelier Lendl, M. Pina, A. Lopez Luntzer, A. Magrin, D. Miller, N.J. Contreras, D. Modrego Mordasini, C. Munari, M. Murray, C.A. Nascimbeni, V. Ottacher, H. Ottensamer, R. Pagano, I. Pál, A. Pallé, E. Pasetti, A. Pedersen, P.P. Peter, G. Petrucci, R. Piotto, G. Pizarro-Rubio, A. Pollacco, D. Pribulla, T. Queloz, D. Ragazzoni, R. Rando, N. Rauer, H. Ribas, I. Sabin, L. Santos, N.C. Scandariato, G. Schanche, N. Schroffenegger, U. Scutt, O.J. Sebastian, D. Ségransan, D. Seli, B. Smith, A.M.S. Southworth, R. Standing, M.R. Szabó, Gy.M. Szakáts, R. Thomas, N. Timmermans, M. Triaud, A.H.M.J. Udry, S. Van Grootel, V. Venturini, J. Villaver, E. Vinkó, J. Walton, N.A. Wells, R. Wolter, D. Weltraumforschung und Planetologie Physikalisches Institut University of Bern Gesellschaftsstrasse 6 Bern3012 Switzerland Center for Space and Habitability University of Bern Gesellschaftsstrasse 6 Bern3012 Switzerland Department of Astronomy Stockholm University AlbaNova University Center Stockholm10691 Sweden Observatoire astronomique de l’Université de Genève Chemin Pegasi 51 Versoix1290 Switzerland Department of Physics University of Warwick Gibbet Hill Road CoventryCV4 7AL United Kingdom Astrophysics Group Lennard Jones Building Keele University StaffordshireST5 5BG United Kingdom Centre for Exoplanet Science SUPA School of Physics and Astronomy University of St Andrews North Haugh St AndrewsKY16 9SS United Kingdom Space Research Institute Austrian Academy of Sciences Schmiedlstrasse 6 GrazA-8042 Austria INAF Osservatorio Astrofisico di Catania Via S. Sofia 78 Catania95123 Italy Rutherfordstrasse 2 Berlin12489 Germany Astrobiology Research Unit Université de Liège Allée du 6 Août 19C LiègeB-4000 Belgium Institute Université de Liège Allée du 6 Août 19C Liège4000 Belgium Keplerlaan 1 Noordwijk2201 AZ Netherlands Aix Marseille Univ CNRS CNES LAM 38 rue Frédéric Joliot-Curie Marseille13388 France Instituto de Astrofisica e Ciencias do Espaco Universidade do Porto CAUP Rua das Estrelas Porto4150-762 Portugal Instituto de Astrofísica de Canarias Vía Láctea s/n Tenerife La Laguna38200 Spain Departamento de Astrofísica Universidad de La Laguna As-trofísico Francisco Sanchez s/n Tenerife La Laguna38206 Spain Baja Astronomical Observatory of University of Szeged Szegedi út Kt. 766 Baja6500 Hungary Admatis 5. Kandó Kálmán Street Miskolc3534 Hungary ESAC campus Villanueva de la Cañada Madrid28692 Spain Departamento de Fisica e Astronomia Faculdade de Ciencias Universidade do Porto Rua do Campo Alegre Porto4169-007 Portugal School of Physics & Astronomy University of Birmingham Edgbaston BirminghamB15 2TT U

Context. Since the discovery of the first exoplanet almost three decades ago, the number of known exoplanets has increased dramatically. By beginning of the 2000s it was clear that dedicated facilities to advance our studies in this field were needed. The CHaracterising ExOPlanet Satellite (CHEOPS) is a space telescope specifically designed to monitor transiting exoplanets orbiting bright stars. In September 2023, CHEOPS completed its nominal mission duration of 3.5 years and remains in excellent operational conditions. As a testament to this, the mission has been extended until the end of 2026. Aims. Scientific and instrumental data have been collected throughout in-orbit commissioning and nominal operations, enabling a comprehensive analysis of the mission’s performance. In this article, we present the results of this analysis with a twofold goal. First, we aim to inform the scientific community about the present status of the mission and what can be expected as the instrument ages. Secondly, we intend for this publication to serve as a legacy document for future missions, providing insights and lessons learned from the successful operation of CHEOPS. Methods. To evaluate the instrument performance in flight, we developed a comprehensive monitoring and characterisation (M&C) programme. It consists of dedicated observations that allow us to characterise the instrument’s response and continuously monitor its behaviour. In addition to the standard collection of nominal science and housekeeping data, these observations provide valuable input for detecting, modelling, and correcting instrument systematics, discovering and addressing anomalies, and comparing the instrument’s actual performance with expectations. Results. The precision of the CHEOPS measurements has enabled the mission objectives to be met and exceeded. The satellite’s performance remains stable and reliable, ensuring accurate data collection throughout its operational life. Careful modelling of the inst

关键词： Satellites

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Human genome meeting 2016 : Houston, TX, USA. 28 February - 2 March 2016

引用

Human genomics 2016年第1期10 Suppl 1卷 12页

作者： A. K. Srivastava Y. Wang R. Huang C. Skinner T. Thompson L. Pollard T. Wood F. Luo R. Stevenson R. Polimanti J. Gelernter X. Lin I. Y. Lim Y. Wu A. L. Teh L. Chen I. M. Aris S. E. Soh M. T. Tint J. L. MacIsaac F. Yap K. Kwek S. M. Saw M. S. Kobor M. J. Meaney K. M. Godfrey Y. S. Chong J. D. Holbrook Y. S. Lee P. D. Gluckman N. Karnani A. Kapoor D. Lee A. Chakravarti C. Maercker F. Graf M. Boutros G. Stamoulis F. Santoni P. Makrythanasis A. Letourneau M. Guipponi N. Panousis M. Garieri P. Ribaux E. Falconnet C. Borel S. E. Antonarakis S. Kumar J. Curran J. Blangero S. Chatterjee J. Akiyama D. Auer C. Berrios L. Pennacchio T. R. Donti G. Cappuccio M. Miller P. Atwal A. Kennedy A. Cardon C. Bacino L. Emrick J. Hertecant F. Baumer B. Porter M. Bainbridge P. Bonnen B. Graham R. Sutton Q. Sun S. Elsea Z. Hu P. Wang Y. Zhu J. Zhao M. Xiong David A. Bennett A. Hidalgo-Miranda S. Romero-Cordoba S. Rodriguez-Cuevas R. Rebollar-Vega E. Tagliabue M. Iorio E. D’Ippolito S. Baroni B. Kaczkowski Y. Tanaka H. Kawaji A. Sandelin R. Andersson M. Itoh T. Lassmann Y. Hayashizaki P. Carninci A. R. R. Forrest C. A. Semple E. A. Rosenthal B. Shirts L. Amendola C. Gallego M. Horike-Pyne A. Burt P. Robertson P. Beyers C. Nefcy D. Veenstra F. Hisama R. Bennett M. Dorschner D. Nickerson J. Smith K. Patterson D. Crosslin R. Nassir N. Zubair T. Harrison U. Peters G. Jarvik F. Menghi K. Inaki X. Woo P. Kumar K. Grzeda A. Malhotra H. Kim D. Ucar P. Shreckengast K. Karuturi J. Keck J. Chuang E. T. Liu B. Ji A. Tyler G. Ananda G. Carter H. Nikbakht M. Montagne M. Zeinieh A. Harutyunyan M. Mcconechy N. Jabado P. Lavigne J. Majewski J. B. Goldstein M. Overman G. Varadhachary R. Shroff R. Wolff M. Javle A. Futreal D. Fogelman L. Bravo W. Fajardo H. Gomez C. Castaneda C. Rolfo J. A. Pinto K. C. Akdemir L. Chin S. Patterson C. Statz S. Mockus S. N. Nikolaev X. I. Bonilla L. Parmentier B. King F. Bezrukov G. Kaya V. Zoete V. Seplyarskiy H. Sharpe T. McKee K. Popadin N. Basset-Seguin R. Ben Chaabene M. Andrianova C. Verdan K. Grosdemange O. Sumara M. E JCSRI Greenwood Genetic Center Greenwood USA School of Computing Clemson University Clemson USA Biochemical Genetics Laboratory Greenwood Genetic Center Greenwood USA Department Psychiatry Yale Sch Med and VA CT Healthcare Center West Haven USA Department Genetics Yale Sch Med and VA CT Healthcare Center West Haven USA Department Neurobiology Yale Sch Med and VA CT Healthcare Center West Haven USA Singapore Institute for Clinical Sciences Singapore Singapore National University of Singapore Singapore Singapore University of British Columbia Vancouver Canada KK Women’s and Children’s Hospital Singapore Singapore University of Southampton and University Hospital Southampton NHS Foundation Trust Southampton UK University of Auckland Auckland New Zealand McKusick-Nathans Institute of Genetic Medicine Johns Hopkins University School of Medicine Baltimore USA Esslingen University of Applied Sciences Esslingen Germany German Cancer Research Center Heidelberg Germany Department of Genetic Medicine and Development University of Geneva Medical School Geneva Switzerland Geneva University Hospitals-HUG Service of Genetic Medicine Geneva Switzerland GE3 Institute of Genetics and Genomics of Geneva University of Geneva Medical School Geneva Switzerland South Texas Diabetes and Obesity Institute School of Medicine University of Texas Rio-Grande Valley Edinburg USA South Texas Diabetes and Obesity Institute School of Medicine University of Texas Rio-Grande Valley Brownsville USA Institute of Genetic Medicine Johns Hopkins University Baltimore USA Genomics Division Lawrence Berkeley National Laboratory Berkeley USA Molecular and Human Genetics Baylor College of Medicine Houston USA Department of Translational Medical Sciences Federico II University Naples Italy Metabolon Inc Durham USA Section of Pediatric Neurology and Neuroscience Baylor College of Medicine Houston USA Tawam Hospital Abu Dhabi United Arab Emirates Stanford Medical School Stanford USA Sch

O1 The metabolomics approach to autism: identification of biomarkers for early detection of autism spectrum disorder A. K. Srivastava, Y. Wang, R. Huang, C. Skinner, T. Thompson, L. Pollard, T. Wood, F. Luo, R. Stevenson O2 Phenome-wide association study for smoking- and drinking-associated genes in 26,394 American women with African, Asian, European, and Hispanic descents R. Polimanti, J. Gelernter O3 Effects of prenatal environment, genotype and DNA methylation on birth weight and subsequent postnatal outcomes: findings from GUSTO, an Asian birth cohort X. Lin, I. Y. Lim, Y. Wu, A. L. Teh, L. Chen, I. M. Aris, S. E. Soh, M. T. Tint, J. L. MacIsaac, F. Yap, K. Kwek, S. M. Saw, M. S. Kobor, M. J. Meaney, K. M. Godfrey, Y. S. Chong, J. D. Holbrook, Y. S. Lee, P. D. Gluckman, N. Karnani, GUSTO study group O4 High-throughput identification of specific qt interval modulating enhancers at the SCN5A locus A. Kapoor, D. Lee, A. Chakravarti O5 Identification of extracellular matrix components inducing cancer cell migration in the supernatant of cultivated mesenchymal stem cells C. Maercker, F. Graf, M. Boutros O6 Single cell allele specific expression (ASE) IN T21 and common trisomies: a novel approach to understand DOWN syndrome and other aneuploidies G. Stamoulis, F. Santoni, P. Makrythanasis, A. Letourneau, M. Guipponi, N. Panousis, M. Garieri, P. Ribaux, E. Falconnet, C. Borel, S. E. Antonarakis O7 Role of microRNA in LCL to IPSC reprogramming S. Kumar, J. Curran, J. Blangero O8 Multiple enhancer variants disrupt gene regulatory network in Hirschsprung disease S. Chatterjee, A. Kapoor, J. Akiyama, D. Auer, C. Berrios, L. Pennacchio, A. Chakravarti O9 Metabolomic profiling for the diagnosis of neurometabolic disorders T. R. Donti, G. Cappuccio, M. Miller, P. Atwal, A. Kennedy, A. Cardon, C. Bacino, L. Emrick, J. Hertecant, F. Baumer, B. Porter, M. Bainbridge, P. Bonnen, B. Graham, R. Sutton, Q. Sun, S. Elsea O10 A novel causal methylation network approach to Alzheimer’s

关键词： Pulmonary Arterial Hypertension Oral Squamous Cell Carcinoma Deep Neural Network Autosomal Recessive Polycystic Kidney Disease Whole Genome Bisulfite Sequencing

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