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arXiv 2024年

作者： Ramirez, M. Pignata, G. Förster, Francisco González-Gaitán, Santiago Gutiérrez, Claudia P. Ayala, B. Cabrera-Vives, Guillermo Catelan, Márcio Arancibia, A.M. Muñoz Pineda-García, J. Instituto de Astrofisica Departamento de Fisica Facultad de Ciencias Exactas Universidad Andres Bello Fernandez Concha 700 Las Condes RM Santiago Chile Millennium Institute of Astrophysics Nuncio Monseñor Sotero Sanz 100 Of. 104 Providencia Santiago Chile Instituto de Alta Investigación Universidad de Tarapacá Casilla 7D Arica Chile Faculty of Physical and Mathematical Sciences Universidad de Chile Chile Center for Mathematical Modeling Universidad de Chile Beauchef 851 Santiago8370456 Chile Departamento de Astronomía Universidad de Chile Chile CENTRA Instituto Superior Técnico Universidade de Lisboa Av. Rovisco Pais 1 Lisboa1049-001 Portugal Instituto de Astrofísica Pontificia Universidad Católica de Chile Av. Vicuña Mackenna 4860 Macul Santiago7820436 Chile Centro de Astroingeniería Pontificia Universidad Católica de Chile Av. Vicuña Mackenna 4860 Macul Santiago7820436 Chile Gran Capità 2-4 Edifici Nexus Desp. 201 BarcelonaE-08034 Spain Campus UAB Carrer de Can Magrans s/n BarcelonaE-08193 Spain Department of Computer Science Universidad de Concepción Chile Data Science Unit Universidad de Concepción Edmundo Larenas 310 Concepción Chile

Context. The Vera C. Rubin Observatory is set to discover 1 million supernovae (SNe) within its first operational year. Given the impracticality of spectroscopic classification at such scales, it is mandatory to develop a reliable photometric classification framework. Aims. This paper introduces a novel method for creating spectral time series that can be used not only to generate synthetic light curves for photometric classification, but also in applications such as K-corrections and bolometric corrections. This approach is particularly valuable in the era of large astronomical surveys, where it can significantly enhance the analysis and understanding of an increasing number of SNe, even in the absence of extensive spectroscopic data. Methods. By employing interpolations based on optimal transport theory, starting from a spectroscopic sequence, we derive weighted average spectra with high cadence. The weights incorporate an uncertainty factor for penalizing interpolations between spectra that show significant epoch differences and lead to a poor match between the synthetic and observed photometry. Results. Our analysis reveals that even with a phase difference of up to 40 days between pairs of spectra, optical transport can generate interpolated spectral time series that closely resemble the original ones. Synthetic photometry extracted from these spectral time series aligns well with observed photometry. The best results are achieved in the V band, with relative residuals of less than 10% for 87% and 84% of the data for type Ia and II, respectively. For the B, g, R, and r bands, the relative residuals are between 65% and 87% within the previously mentioned 10% threshold for both classes. The worse results correspond to the i and I bands, where, in the case of SN Ia, the values drop to 53% and 42%, respectively. Conclusions. We introduce a new method for constructing spectral time series for individual SNe starting from a sparse spectroscopic sequence, and demonstr

关键词： Supernovae

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Pseudospectra of Loewner Matrix Pencils

arXiv

引用

arXiv 2019年

作者： Embree, Mark Cosmin Ioniţă, A. Department of Mathematics and Computational Modeling and Data Analytics Division Academy of Integrated Science Virginia Tech BlacksburgVA24061 United States MathWorks Inc. NatickMA01760 United States

Loewner matrix pencils play a central role in the system realization theory of Mayo and Antoulas, an important development in data-driven modeling. The eigenvalues of these pencils reveal system poles. How robust are the poles recovered via Loewner realization? With several simple examples, we show how pseudospectra of Loewner pencils can be used to investigate the influence of interpolation point location and partitioning on pole stability, the transient behavior of the realized system, and the effect of noisy measurement data. We include an algorithm to efficiently compute such pseudospectra by exploiting Loewner structure. Copyright © 2019, The Authors. All rights reserved.

关键词： Poles

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Effect of Land Use and Land Cover Change on the Changes in Net Primary Productivity in Karst Areas of Southwest China:A Case Study of Huanjiang Maonan Autonomous County

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Journal of Resources and Ecology 2020年第6期11卷 606-616页

作者： ZHANG Mengyu ZHANG Li REN Xiaoli HE Honglin LV Yan WANG Junbang YAN Huimin Key Laboratory of Ecosystem Network Observation and Modeling Institute of Geographic Sciences and Natural Resources ResearchChinese Academy of SciencesBeijing 100101China National Ecosystem Science Data Center Beijing 100101China University of Chinese Academy of Sciences Beijing 100049China College of Resources and Environment University of Chinese Academy of SciencesBeijing 100190China Key Laboratory of Resource Utilization and Environmental Remediation Institute of Geographic Sciences and Natural Resources ResearchChinese Academy of SciencesBeijing 100101China

Karst areas in southwest China have experienced significant land cover and land use change(LUCC)due to utilization for human activity and a comprehensive rocky desertification control project(RDCP)since *** is important to quantify the effect of LUCC on ecosystem productivity in this region for assessing the overall benefit of this ecological restoration *** this study,we used using MODIS land cover and NPP products to investigate the relative contribution of LUCC to the change in net primary productivity(NPP)during 2008–2013 in Huanjiang County,one of first one hundred pilot counties to implement *** results show that NPP increased in 95.53%of the county,and the average growth of NPP in non-rocky desertification area was higher than in rocky desertification or potential rocky desertification *** has an important contribution(25.23%)to the NPP increase in the county,especially in the LUCC area(70.97%),which increased the average NPP by 3.9%and 10.5%,*** the six RDCP regions in the county,the average increase in NPP for the vegetation restoration measure of governed karst area is significantly greater than in the ungoverned karst area,and the positive change in NPP increased with the increasing implementation area of the vegetation restoration measure.

关键词： land use change net primary productivity karst area comprehensive control project for rocky desertification

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On methods for assessment of the influence and impact of observations in convection-permitting numerical weather prediction

arXiv

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arXiv 2023年

作者： Hu, Guannan Dance, Sarah L. Fowler, Alison Simonin, David Waller, Joanne Auligne, Thomas Healy, Sean Hotta, Daisuke Löhnert, Ulrich Miyoshi, Takemasa Privé, Nikki C. Stiller, Olaf Wang, Xuguang Weissmann, Martin Department of Meteorology University of Reading United Kingdom National Centre for Earth Observation University of Reading United Kingdom Department of Mathematics and Statistics University of Reading United Kingdom Met Office Reading United Kingdom University Corporation for Atmospheric Research Joint Center for Satellite Data Assimilation BoulderCO United States European Centre for Medium-Range Weather Forecasts Reading United Kingdom Meteorological Research Institute Japan Meteorological Agency Tsukuba Japan Institute for Geophysics and Meteorology University of Cologne Cologne Germany Hans-Ertel-Centre for Weather Research Climate Monitoring and Diagnostics Bonn Cologne Germany RIKEN Center for Computational Science Kobe6500047 Japan RIKEN Cluster for Pioneering Research Kobe6500047 Japan Kobe6500047 Japan Morgan State University GESTAR II BaltimoreMD United States Global Modeling and Assimilation Office NASA GreenbeltMD United States Frankfurt am Main63067 Germany School of Meteorology University of Oklahoma NormanOK United States Institut für Meteorologie und Geophysik Universität Wien Vienna Austria

In numerical weather prediction (NWP), a large number of observations are used to create initial conditions for weather forecasting through a process known as data assimilation. An assessment of the value of these observations for NWP can guide us in the design of future observation networks, help us to identify problems with the assimilation system, and allow us to assess changes to the assimilation system. However, the assessment can be challenging in convection-permitting NWP. First, the strong nonlinearity in the forecast model limits the methods available for the assessment. Second, convection-permitting NWP typically uses a limited area model and provides short forecasts, giving problems with verification and our ability to gather sufficient statistics. Third, convection-permitting NWP often makes use of novel observations, which can be difficult to simulate in an observing system simulation experiment (OSSE). We compare methods that can be used to assess the value of observations in convection-permitting NWP and discuss operational considerations when using these methods. We focus on their applicability to ensemble forecasting systems, as these systems are becoming increasingly dominant for convection-permitting NWP. We also identify several future research directions: comparison of forecast validation using analyses and observations, the effect of ensemble size on assessing the value of observations, flow-dependent covariance localization, and generation and validation of the nature run in an OSSE. © 2023, CC BY.

关键词： Weather forecasting

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P902 Native American Mapuche ancestry is related to higher IBD risk in Chileans

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Journal of Crohn's and Colitis 2023年第SUPPLEMENT_1期17卷 i1015–i1016页

作者： Pérez, T Bustamante, M L Magne, F Travisany, D Alvarez-Lobos, M Hernandez-Rocha, C Azocar, L Aguilar, N Espino, A Estela, R Escobar, S Zazueta, A Baez, P Silva, V Arriagada, E Barahona, C Zollner, L Miquel, J F Lorenzo-Bermejo, J Pontificia Universidad Católica de Chile Department of Gastroenterology Santiago Chile Hospital San Borja Arriarán Department of Gastroenterology Santiago Chile University of Chile Faculty of Medicine- ICBM Santiago Chile Universidad de la Americas NIDS- Núcleo de Investigación en Data Science- Facultad de Ingeniería y Negocios Santiago Chile University of Chile Center for Mathematical Modeling - University of Chile ... Santiago Chile University of Heidelberg Statistical Genetics Research Group- Institute of Medical Biometry and Informatics Heidelberg Germany

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FAIR Principles:Interpretations and Implementation Considerations

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data Intelligence 2020年第1期2卷 10-29,293-302,322页

作者： Annika Jacobsen Ricardo de Miranda Azevedo Nick Juty Dominique Batista Simon Coles Ronald Cornet Melanie Courtot Merce Crosas Michel Dumontier Chris T.Evelo Carole Goble Giancarlo Guizzardi Karsten Kryger Hansen Ali Hasnain Kristina Hettne Jaap Heringa Rob W.W.Hooft Melanie Imming Keith G.Jeffery Rajaram Kaliyaperumal Martijn GKersloot Christine R.Kirkpatrick Tobias Kuhn Ignasi Labastida Barbara Magagna PeterMcQuilton Natalie Meyers Annalisa Montesanti Mirjam van Reisen Philippe Rocca-Serra Robert Pergl Susanna-Assunta Sansone Luiz Olavo Bonino da Silva Santos Juliane Schneider George Strawn Mark Thompson Andra Waagmeester Tobias Weigel Mark D.Wilkinson Egon L.Willighagen Peter Wittenburg Marco Roos Barend Mons Erik Schultes Leiden University Medical Center Leiden2333 ZAThe Netherlands Institute of Data Science Maastricht UniversityUniversiteitssingel 60Maastricht 6229 ERThe Netherlands Department of Computer Science The University of ManchesterOxford RoadManchester M139PLUK Oxford e-Research Centre Department of Engineering SciencesUniversity of OxfordOxford OX13PJUK School of Chemistry Faculty of Engineering and Physical SciencesUniversity of SouthamptonSO171BJUK Amsterdam UMC University of AmsterdamAmsterdam 1000 GGThe Netherlands European Bioinformatics Institute(EMBL-EBI) HinxtonCambridgeCB101SDUK Harvard University CambridgeMassachusetts 02138USA Department of Bioinformatics–BiGCaT NUTRIMMaastricht UniversityMaastricht 6229 ERThe Netherlands Conceptual and Cognitive Modeling Research Group(CORE) Free University of Bozen-BolzanoBolzano 39100Italy Aalborg University Aalborg DK-9220Denmark Insight Centre for Data Analytics National University of Ireland GalwayH91 TK33Ireland Centre for Digital Scholarship Leiden University LibrariesLeiden2333 ZAThe Netherlands Department of Computer Science Vrije Universiteit AmsterdamDe Boelelaan 11051081 HV AmsterdamThe Netherlands Dutch Techcentre for Life Sciences(DTL) UtrechtThe Netherlands SURF Utrecht 3511 EPThe Netherlands Keith G Jeffery Consultants FaringdonUK Castor EDC Paasheuvelweg 25Wing 5D1105 BPAmsterdamThe Netherlands San Diego Supercomputer Center University of California San DiegoLa JollaCalifornia 92093USA Learning and Research Resources Centre(CRAI) Universitat de Barcelona08007 BarcelonaSpain Environment Agency Austria A-1090 ViennaAustria University of Notre Dame 75004 ParisFrance Health Research Board(HRB) Dublin 2DO2 H638Ireland Liacs Institute of Advanced Computer Science Leiden University2311 GJ LeidenThe Netherlands Czech Technical University in Prague Faculty of Information Technology(FIT CTU)16000 Prague 6Czech Republic GO FAIR International Support&Coordination Office(GFISCO) LeidenThe Netherlands Harvard Catalys

The FAIR principles have been widely cited,endorsed and adopted by a broad range of stakeholders since their publication in *** intention,the 15 FAIR guiding principles do not dictate specific technological implementations,but provide guidance for improving Findability,Accessibility,Interoperability and Reusability of digital *** has likely contributed to the broad adoption of the FAIR principles,because individual stakeholder communities can implement their own FAIR ***,it has also resulted in inconsistent interpretations that carry the risk of leading to incompatible ***,while the FAIR principles are formulated on a high level and may be interpreted and implemented in different ways,for true interoperability we need to support convergence in implementation choices that are widely accessible and(re)-*** introduce the concept of FAIR implementation considerations to assist accelerated global participation and convergence towards accessible,robust,widespread and consistent FAIR *** self-identified stakeholder community may either choose to reuse solutions from existing implementations,or when they spot a gap,accept the challenge to create the needed solution,which,ideally,can be used again by other communities in the ***,we provide interpretations and implementation considerations(choices and challenges)for each FAIR principle.

关键词： FAIR guiding principles FAIR implementation FAIR convergence FAIR communities choices and challenges

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GLOBAL OCEANS

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Bulletin of the American Meteorological Society 2024年第8期105卷 S156-S213页

作者： Johnson, G.C. Lumpkin, R. NOAA/OAR Pacific Marine Environmental Laboratory Seattle Washington NOAA/OAR Atlantic Oceanographic and Meteorological Laboratory Miami Florida NOAA/OAR Physical Sciences Laboratory Boulder Colorado KBR Inc. Greenbelt Maryland NASA Goddard Space Flight Center Greenbelt Maryland NOAA/NESDIS National Centers for Environmental Information Silver Spring Maryland Cooperative Institute for Climate Ocean and Ecosystem Studies University of Washington Seattle Washington Universities Space Research Association Columbia Maryland College of Marine Science University of South Florida St. Petersburg Florida School of Ocean and Earth Science University of Southampton Southampton United Kingdom International Center for Climate and Environment Sciences Institute of Atmospheric Physics Chinese Academy of Sciences Beijing China Rosenstiel School of Marine Atmospheric and Earth Science University of Miami Miami Florida School of Earth and Atmospheric Sciences Georgia Institute of Technology Atlanta Georgia Science Systems and Applications Inc. Lanham Maryland ADNET Systems Inc. Hampton Virginia Department of Atmospheric and Oceanic Sciences University of Colorado Boulder Boulder Colorado Scripps Institution of Oceanography University of California San Diego La Jolla California Cooperative Institute for Marine and Atmospheric Studies University of Miami Miami Florida Cooperative Institute for Satellite Earth System Studies North Carolina State University Asheville North Carolina Center for Coastal Physical Oceanography Old Dominion University Norfolk Virginia Australian Antarctic Program Partnership Institute for Marine and Antarctic Studies Australian Research Council Centre of Excellence for Climate Extremes University of Tasmania Hobart Australia NOAA/NWS National Centers for Environmental Prediction Climate Prediction Center College Park Maryland NOAA/NESDIS National Centers for Environmental Information Asheville North Carolina Department of Atmosphere Ocean an

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A novel key driver gene of Alzheimer's disease impacts AD-related cognitive deficit, pathology and neuro-inflammation in sex- and APOE-specific manners

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Alzheimer's & dementia : the journal of the Alzheimer's Association 2021年第S3期17卷 e054111-e054111页

作者： Dongming Cai Lei Guo Jiqing Cao Larry Zhang Min Huang Jianwei Hou Li Zhu Julia TCW Minghao Zhong Alison M. Goate Bin Zhang Icahn School of Medicine at Mount Sinai NY NY United States James J Peters VA Medical Center NY NY United States James J Peter VA Medical Center NY NY United States Ronald M. Loeb Center for Alzheimer's Disease NY NY United States Yale School of Medicine CT New Haven United States Mount Sinai Center for Transformative Disease Modeling NY NY United States Icahn Institute for Data Science and Genomic Technology NY NY United States

BACKGROUND: Alzheimer's Disease (AD) has complex etiologies and the impact of sex on AD varies over the course of disease development. Literature provides some evidence of sex-specific contributions to AD. However, molecular mechanisms of sex biased differences in AD remain elusive. Multi-omics data in tandem with systems biology approaches offer a new avenue to not only dissect sex-stratified molecular mechanisms of AD but also develop sex-specific diagnostic and therapeutic strategies for AD. METHOD: We integrated RNA expression datasets from the para-hippocampal gyrus of the Mount Sinai Medical Center Brain Bank (MSBB) and the prefrontal cortex from the Religious Orders Study and Rush Memory and Aging Project (ROSMAP) to perform multiscale network analysis. The differentially expressed genes (DEGs) between AD and control, female and male, ApoE3 and ApoE4 genotype were rank-ordered based on their relevance to clinical dementia rating scale (CDR) and AD pathology (Braak stage, CERAD and plaque density). The trend analyses and gene co-expression network analysis were then performed to identify key drivers with sexually dimorphic expression patterns or differentially respond to APOE genotypes between sexes. RESULT: In this study, we identified ldl receptor-related protein (lrp10), a receptor possibly involved in the uptake of ApoE and APP trafficking as the highest-ranked key driver gene candidate accounting for the sex differences in AD. Lrp10 mRNA was increased in female AD patients when compared to female controls or male AD patients. In contrast, LRP10 protein levels were reduced in AD when compared to controls, suggesting possible post-translational modifications of LRP10 in AD human brains. Gene perturbation studies in EFAD mouse hippocampal brain regions suggest that over-expression of lrp10 improved cognitive function, reduced Aβ42 and p-Tau, and increased microglial recruitment around amyloid plaques in female E4FAD mice. In contrast, down-regulation of lrp1

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Konkurrenz zwischen unimolekularen Ein- und Zwei-Elektron-Reaktionen später 3d-Metallkomplexe [(Me3SiCH2)nM]–(M = Fe, Co, Ni, Cu;n= 2 – 4)

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Angewandte Chemie 2025年

作者： Torben Kühl Lisa Hetzel Christopher J. Stein Konrad Koszinowski Institut für Organische und Biomolekulare Chemie Universität Göttingen Tammannstraße 2 37077 Göttingen Deutschland Diese Autoren haben zu gleichen Anteilen zum Artikel beigetragen. TUM School of Natural Sciences and Catalysis Research Center Department of Chemistry Technische Universität München Lichtenbergstraße 4 85748 Garching Deutschland Atomistic Modeling Center Munich Data Science Institute Technische Universität München Garching Deutschland Friedrich-Wöhler-Forschungsinstitut für Nachhaltige Chemie Universität Göttingen Tammannstraße 2 37077 Göttingen Deutschland

Obwohl metallorganische Komplexe der späten 3d-Elemente dafür bekannt sind, sowohl Ein- als auch Zwei-Elektron-Reaktionen einzugehen, bleiben die relativen Neigungen dazu noch unzureichend verstanden. Um direkte Einblicke in die Konkurrenz zwischen den unterschiedlichen Reaktionspfaden zu gewinnen, haben wir die unimolekulare Gasphasenreaktivität einer Reihe wohldefinierter Modellkomplexe [(Me 3 SiCH 2 ) n M] − (M = Fe, Co, Ni, Cu; n = 2 – 4) untersucht. Durch eine Kombination aus Tandem-Massenspektrometrie, quantenchemischen Rechnungen und Simulationen auf Grundlage der statistischen Ratentheorie identifizieren wir verschiedene Fragmentierungsreaktionen, bei denen insbesondere die homolytische Spaltung von Metall-Kohlenstoff-Bindungen und die Freisetzung von Radikalen eine zentrale Rolle spielt. Diese Ein-Elektron-Reaktionen sind in allen Fällen entropisch begünstigt. Für die Ferrat- und Cobaltat-Komplexe sind sie zudem energetisch bevorzugt, was ihr dominantes Auftreten in den entsprechenden Fragmentierungsexperimenten erklärt. Für [(Me 3 SiCH 2 ) 4 Ni] − und insbesondere für [(Me 3 SiCH 2 ) 4 Cu] − ist die konzertierte reduktive Eliminierung als prototypische Zwei-Elektron-Reaktion energetisch günstiger und gewinnt an Bedeutung. [(Me 3 SiCH 2 ) 3 Ni] − weist als Besonderheit zwei nahezu entartete Spinzustände auf, die unterschiedlich reagieren. Eine einfache thermochemische Analyse zeigt, dass das Verhältnis der ersten und zweiten Bindungsdissoziationsenergie entscheidend für die Konkurrenz zwischen Radikalverlusten und konzertierten reduktiven Eliminierungen ist.

关键词： 3d-Metalle Gasphasen-Reaktionen Quantenchemische Rechnungen Radikalreaktionen Reduktive Eliminierungen

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The road to accuracy: Machine-learning-accelerated silicon ab initio simulations

arXiv

引用

arXiv 2019年

作者： Sluydts, M. Larmuseau, M. Lauwaert, J. Cottenier, S. Center for Molecular Modeling Ghent University Belgium Department of Electrical Energy Metal Mechanical Constructions & Systems Ghent University Belgium Potentia Data Science and IT services Antwerp Belgium Potentia Data Science and IT services Antwerp LargoFL United States Department of Information Technology Ghent University - imec Belgium Department of Electronics and Information Systems Ghent University Belgium

Ab initio simulations are capable of providing detailed information of material behavior at the nanoscale. Simulating experimentally relevant situations is, however, often computationally intense. Using hybrid approaches between ab initio methods such as density functional theory (DFT) and machine learning, new models can be constructed which retain quantum accuracy while being computationally faster by several orders of magnitude. Two examples are discussed in this paper. The first is the computational search for low energy substitutional defect complexes in silicon. The second is the construction of deep learning potentials for ab initio-level molecular dynamics simulations. The latter is applied to reproduce the 0 K equation of state and high temperature thermal expansion of Si using the same model. Copyright © 2019, The Authors. All rights reserved.

关键词： Silicon

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