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arXiv 2017年

作者： Bozeman, Chassidy Brimkov, Boris Erickson, Craig Ferrero, Daniela Flagg, Mary Hogben, Leslie Department of Mathematics Iowa State University AmesIA50011 United States Department of Computational and Applied Mathematics Rice University HoustonTX77005 United States Department of Mathematics and Computer Science Grand View University Des MoinesIA United States Department of Mathematics Texas State University San MarcosTX78666 United States Department of Mathematics Computer Science and Cooperative Engineering University of St. Thomas 3800 Montrose HoustonTX77006 United States American Institute of Mathematics 600 E. Brokaw Road San JoseCA95112 United States

Power domination in graphs arises from the problem of monitoring an electric power system by placing as few measurement devices in the system as possible. A power dominating set of a graph is a set of vertices that observes every vertex in the graph, following a set of rules for power system monitoring. A practical problem of interest is to determine the minimum number of additional measurement devices needed to monitor a power network when the network is expanded and the existing devices remain in place. In this paper, we study the problem of finding the smallest power dominating set that contains a given set of vertices X. We also study the related problem of finding the smallest zero forcing set that contains a given set of vertices X. The sizes of such sets in a graph G are respectively called the restricted power domination number and restricted zero forcing number of G subject to X. We derive several tight bounds on the restricted power domination and zero forcing numbers of graphs, and relate them to other graph parameters. We also present exact and algorithmic results for computing the restricted power domination number, including integer programs for general graphs and a linear time algorithm for graphs with bounded treewidth. We also use restricted power domination to obtain a parallel algorithm for finding minimum power dominating sets in *** Codes 05C69, 05C50, 05C57, 94C15 Copyright © 2017, The Authors. All rights reserved.

关键词： Graphic methods

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A family of group divisible designs with arbitrary block sizes

arXiv

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arXiv 2017年

作者： Huang, Yu-Pei Liu, Chia-An Chang, Yaotsu Lee, Chong-Dao College of Applied Mathematics Beijing Normal University Zhuhai519087 China Department of Mathematical Sciences University of Delaware NewarkDE19716 United States Department of Financial and Computational Mathematics I-Shou University Taiwan84001 Taiwan Department of Communication Engineering I-Shou University Taiwan84001 Taiwan

Recently, a construction of group divisible designs (GDDs) derived from the decoding of quadratic residue (QR) codes was given. In this paper, we extend the idea to obtain a new family of GDDs, which is also involved with a well-known balanced incomplete block design (BIBD).MSC Codes 05B05 Copyright © 2017, The Authors. All rights reserved.

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Biophysics at the coffee shop: lessons learned working with George Oster

arXiv

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arXiv 2019年

作者： Igoshin, Oleg Chen, Jing Xing, Jianhua Liu, Jian Elston, Timothy C. Grabe, Michael Kim, Kenneth S. Nirody, Jasmine Rangamani, Padmini Sun, Sean Wang, Hongyun Wolgemuth, Charles Departments of Bioengineering of Biosciences and of Chemistry Center for Theoretical Biological Physics Rice University HoustonTX77005 United States Department of Biological Sciences Virginia Tech BlacksburgVA24061 United States Department of Computational and Systems Biology UPMC-Hillman Cancer Center School of Medicine University of Pittsburgh PittsburghPA15261 United States Department of Cell Biology Center for Cell Dynamics School of Medicine Johns Hopkins University BaltimoreMD21205 United States Department of Pharmacology School of Medicine University of North Carolina at Chapel Hill Chapel HillNC27599 United States Cardiovascular Research Institute School of Pharmacy University of California at San Francisco San FranciscoCA94158 United States Lawrence Livermore National Laboratory LivermoreCA94550 United States Center for Studies in Physics and Biology Rockefeller University New YorkNY10065 United States Department of Mechanical and Aerospace engineering University of California at San Diego La JollaCA92093 United States Department of Mechanical Engineering Whiting School of Engineering Johns Hopkins University BaltimoreMD21218 United States Department of Applied Mathematics and Statistics University of California Santa CruzCA95064 United States Department of Physics Department of Molecular and Cellular Biology University of Arizona TucsonAZ85721 United States

Over the past 50 years, the use of mathematical models, derived from physical reasoning, to describe molecular and cellular systems has evolved from an art of the few to a cornerstone of biological inquiry. George Oster stood out as a pioneer of this paradigm shift from descriptive to quantitative biology not only through his numerous research accomplishments, but also through the many students and postdocs he mentored over his long career. Those of us fortunate enough to have worked with George agree that his sharp intellect, physical intuition and passion for scientific inquiry not only inspired us as scientists but also greatly influenced the way we conduct research. We would like to share a few important lessons we learned from George in honor of his memory and with the hope that they may inspire future generations of scientists. Copyright © 2019, The Authors. All rights reserved.

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A compact fourth-order gas-kinetic scheme for the euler and navier-stokes solutions

arXiv

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arXiv 2017年

作者： Ji, Xing Pan, Liang Shyy, Wei Xu, Kun Department of Mathematics Hong Kong University of Science and Technology Clear Water Bay Kowloon Hong Kong Department of Mechanical and Aerospace Engineering Hong Kong University of Science and Technology Clear Water Bay Kowloon Hong Kong Institute of Applied Physics and Computational Mathematics Beijing100088 China

In this paper, a fourth-order compact gas-kinetic scheme (GKS) is developed for the compressible Euler and Navier-Stokes equations under the framework of two-stage fourth-order temporal discretization and Hermite WENO (HWENO) reconstruction. Due to the high-order gas evolution model, the GKS provides a time dependent gas distribution function at a cell interface. This time evolution solution can be used not only for the flux evaluation across a cell interface and its time derivative, but also time accurate evolution solution at a cell interface. As a result, besides updating the conservative flow variables inside each control volume, the GKS can get the cell averaged slopes inside each control volume as well through the differences of flow variables at the cell interfaces. So, with the updated flow variables and their slopes inside each cell, the HWENO reconstruction can be naturally implemented for the compact high-order reconstruction at the beginning of next step. Therefore, a compact higher-order GKS, such as the two-stages fourth-order compact scheme can be constructed. This scheme is as robust as second-order one, but more accurate solution can be obtained. In comparison with compact fourth-order DG method, the current scheme has only two stages instead of four within each time step for the fourth-order temporal accuracy, and the CFL number used here can be on the order of 0.5 instead of 0.11 for the DG method. Through this research, it concludes that the use of high-order time evolution model rather than the first order Riemann solution is extremely important for the design of robust, accurate, and efficient higher-order schemes for the compressible flows. Copyright © 2017, The Authors. All rights reserved.

关键词： Cells

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On clustering network-valued data 17

On clustering network-valued data

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Proceedings of the 31st International Conference on Neural Information Processing Systems

作者： Soumendu Sundar Mukherjee Purnamrita Sarkar Lizhen Lin Department of Statistics University of California Berkeley Berkeley California Department of Statistics and Data Science University of Texas Austin Austin Texas Department of Applied and Computational Mathematics and Statistics Univeristy of Notre Dame Notre Dame Indiana

ISBN: (纸本)9781510860964

Community detection, which focuses on clustering nodes or detecting communities in (mostly) a single network, is a problem of considerable practical interest and has received a great deal of attention in the research community. While being able to cluster within a network is important, there are emerging needs to be able to cluster multiple networks. This is largely motivated by the routine collection of network data that are generated from potentially different populations. These networks may or may not have node correspondence. When node correspondence is present, we cluster networks by summarizing a network by its graphon estimate, whereas when node correspondence is not present, we propose a novel solution for clustering such networks by associating a computationally feasible feature vector to each network based on trace of powers of the adjacency matrix. We illustrate our methods using both simulated and real data sets, and theoretical justifications are provided in terms of consistency.

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OPTIMADE, an API for exchanging materials data

arXiv

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arXiv 2021年

作者： Andersen, Casper W. Armiento, Rickard Blokhin, Evgeny Conduit, Gareth J. Dwaraknath, Shyam Evans, Matthew L. Fekete, Ádám Gopakumar, Abhijith Gražulis, Saulius Merkys, Andrius Mohamed, Fawzi Oses, Corey Pizzi, Giovanni Rignanese, Gian-Marco Scheidgen, Markus Talirz, Leopold Toher, Cormac Winston, Donald Aversa, Rossella Choudhary, Kamal Colinet, Pauline Curtarolo, Stefano Di Stefano, Davide Draxl, Claudia Er, Suleyman Esters, Marco Fornari, Marco Giantomassi, Matteo Govoni, Marco Hautier, Geoffroy Hegde, Vinay Horton, Matthew K. Huck, Patrick Huhs, Georg Hummelshøj, Jens Kariryaa, Ankit Kozinsky, Boris Kumbhar, Snehal Liu, Mohan Marzari, Nicola Morris, Andrew J. Mostofi, Arash A. Persson, Kristin A. Petretto, Guido Purcell, Thomas Ricci, Francesco Rose, Frisco Scheffler, Matthias Speckhard, Daniel Uhrin, Martin Vaitkus, Antanas Villars, Pierre Waroquiers, David Wolverton, Chris Wu, Michael Yang, Xiaoyu École Polytechnique Fédérale de Lausanne Lausanne1015 Switzerland Materials Design and Informatics Unit Department of Physics Chemistry and Biology Linköping University Sweden Tilde Materials Informatics Straßmannstraße 25 Berlin10249 Germany Materials Platform for Data Science Sepapaja 6 Tallinn15551 Estonia Theory of Condensed Matter Group Cavendish Laboratory 19 J.J. Thomson Avenue CambridgeCB3 0HE United Kingdom Lawrence Berkeley Labs BerkeleyCA United States Chemin des Étoiles 8 Louvain-la-Neuve1348 Belgium Department of Physics King's College London London United Kingdom Department of Materials Science and Engineering Northwestern University EvanstonIL60208 United States Institute of Biotechnology Life Science Center Vilnius University Saulétekio av. 7 VilniusLT-10257 Lithuania Institute of Computer Science Faculty of Mathematics and Informatics Vilnius University Naugarduko g. 24 VilniusLT-03225 Lithuania Fritz-Haber-Institut der Max-Planck-Gesellschaft Faradayweg 4-6 Berlin14195 Germany Center for Autonomous Materials Design Duke University DurhamNC27708 United States Department of Mechanical Engineering and Materials Science Duke University DurhamNC27708 United States Humboldt-Universität zu Berlin Institut für Physik and IRIS Adlershof Berlin12489 Germany École Polytechnique Fédérale de Lausanne Sion1951 Switzerland Trieste34136 Italy Hermann-von-Helmholtz-Platz 1 Eggenstein-Leopoldshafen76344 Germany Materials Measurement Laboratory National Institute of Standards and Technology GaithersburgMD20899 United States Ansys 300 Rustat House 62 Clifton Rd CambridgeCB1 7EG United Kingdom De Zaale 20 Eindhoven5612 AJ Netherlands Department of Physics and Science of Advanced Materials Program Central Michigan University Mount PleasantMI48859 United States Argonne National Laboratory LemontIL60439 United States Thayer School of Engineering Dartmouth College HanoverNH03755 United States Los AltosCA940

The Open Databases Integration for Materials Design (OPTIMADE) consortium has designed a universal application programming interface (API) to make materials databases accessible and interoperable. We outline the first stable release of the specification, v1.0, which is already supported by many leading databases and several software packages. We illustrate the advantages of the OPTIMADE API through worked examples on each of the public materials databases that support the full API specification. © 2021, CC BY.

关键词： Specifications

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An efficient algorithm for automatic structure optimization in x-ray standing-wave experiments

arXiv

引用

arXiv 2018年

作者： Karslıoğlu, Osman Gehlmann, Mathias Müller, Juliane Nemšák, Slavomir Sethian, James A. Kaduwela, Ajith Bluhm, Hendrik Fadley, Charles Chemical Sciences Division Lawrence Berkeley National Laboratory BerkeleyCA United States Material Sciences Division Lawrence Berkeley National Laboratory BerkeleyCA United States Department of Physics University of California Davis DavisCA United States Computational Research Division Lawrence Berkeley National Laboratory BerkeleyCA United States Advanced Light Source Lawrence Berkeley National Laboratory BerkeleyCA United States Department of Mathematics University of California Berkeley BerkeleyCA United States Center for Applied Mathematics for Energy Research Applications Lawrence Berkeley National Laboratory BerkeleyCA United States Air Quality Research Center University of California Davis DavisCA United States

X-ray standing-wave photoemission experiments involving multilayered samples are emerging as unique probes of the buried interfaces that are ubiquitous in current device and materials research. Such data require for their analysis a structure optimization process comparing experiment to theory that is not straightforward. In this work, we present a new computer program for optimizing the analysis of standing-wave data, called SWOPT, that automates this trial-and-error optimization process. The program includes an algorithm that has been developed for computationally expensive problems: so-called black-box simulation optimizations. It also includes a more efficient version of the Yang X-ray Optics program (YXRO) [Yang, S.-H., Gray, A.X., Kaiser, A.M., Mun, B.S., Sell, B.C., Kortright, J.B., Fadley, C.S., J. Appl. Phys. 113, 1 (2013)] which is about an order of magnitude faster than the original version. Human interaction is not required during optimization. We tested our optimization algorithm on real and hypothetical problems and show that it finds better solutions significantly faster than a random search approach. The total optimization time ranges, depending on the sample structure, from minutes to a few hours on a modern laptop computer, and can be up to 100x faster than a corresponding manual optimization. These speeds make the SWOPT program a valuable tool for realtime analyses of data during synchrotron experiments. Copyright © 2018, The Authors. All rights reserved.

关键词： Elastic waves

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Constraining the coupled channel dynamics using femtoscopic correlations at the LHC

引用

The European Physical Journal C 2023年第4期83卷 1-21页

作者： Acharya, S. Adamová, D. Adler, A. Aglieri Rinella, G. Agnello, M. Agrawal, N. Ahammed, Z. Ahmad, S. Ahn, S. U. Ahuja, I. Akindinov, A. Al-Turany, M. Suaide, A. A. P. Aleksandrov, D. Alessandro, B. Alfanda, H. M. Alfaro Molina, R. Ali, B. Ali, Y. Alici, A. Alizadehvandchali, N. Alkin, A. Alme, J. Alocco, G. Alt, T. Altsybeev, I. Garcia, J. R. A. Anaam, M. N. Andrei, C. Andronic, A. Anguelov, V. Antinori, F. Antonioli, P. Apadula, N. Aphecetche, L. Appelshäuser, H. Arata, C. Arcelli, S. Arnaldi, R. Arsene, I. C. Arslandok, M. Diaz, R. A. Augustinus, A. Averbeck, R. Aziz, S. Azmi, M. D. Badalà, A. Saramela, T. B. Baek, Y. W. Bai, X. Bailhache, R. Bailung, Y. Bala, R. Balbino, A. Baldisseri, A. Balis, B. Banerjee, D. Banoo, Z. Barbera, R. Barioglio, L. Barlou, M. Barnaföldi, G. G. Barnby, L. S. Barreto, L. Bartels, C. Barth, K. Bartsch, E. Baruffaldi, F. Butt, J. B. Bastid, N. Basu, S. Batigne, G. Battistini, D. Batyunya, B. Bauri, D. Bazo Alba, J. L. Bearden, I. G. Beattie, C. Becht, P. Behera, D. Belikov, I. Bell Hechavarria, A. D. C. Bellini, F. Bellwied, R. Belokurova, S. Belyaev, V. Bencedi, G. Beole, S. Bercuci, A. Berdnikov, Y. Berdnikova, A. Bergmann, L. Ferrer, M. B. Besoiu, M. G. Betev, L. Bhaduri, P. P. Bhasin, A. Bhat, M. A. Bhattacharjee, B. Bianchi, L. Bianchi, N. Bielčík, J. Bielčíková, J. Biernat, J. Bigot, A. P. Bilandzic, A. Biro, G. Biswas, S. Bize, N. Blair, J. T. Blau, D. Blidaru, M. B. Bluhme, N. Blume, C. Boca, G. Bock, F. Bodova, T. Bogdanov, A. Boi, S. Bok, J. Boldizsár, L. Bolozdynya, A. Bombara, M. Bond, P. M. Bonomi, G. Borel, H. Borissov, A. Bossi, H. Botta, E. Bratrud, L. Braun-Munzinger, P. Bregant, M. Broz, M. Bruno, G. E. Buckland, M. D. Budnikov, D. Buesching, H. Bufalino, S. Bugnon, O. Buhler, P. Buthelezi, Z. Bylinkin, A. Bysiak, S. A. Cai, M. Caines, H. Caliva, A. Calvo Villar, E. Camerini, P. Carabas, M. Carnesecchi, F. Caron, R. Castillo Castellanos, J. Catalano, F. Ceballos Sanchez, C. Chakaberia, I. Chakraborty, P. Anuj, C. Chandra, S. Chapeland, S. Chartier, M. Chattopadhyay, Université Clermont Auvergne CNRS/IN2P3 LPC Clermont-Ferrand France Variable Energy Cyclotron Centre Homi Bhabha National Institute Kolkata India Nuclear Physics Institute of the Czech Academy of Sciences Husinec-Řež Czech Republic Fachbereich Informatik und Mathematik Johann-Wolfgang-Goethe Universität Frankfurt Institut für Informatik Frankfurt Germany European Organization for Nuclear Research (CERN) Geneva Switzerland Dipartimento DISAT del Politecnico and Sezione INFN Turin Italy Sezione di Bologna INFN Bologna Italy Department of Physics Aligarh Muslim University Aligarh India Korea Institute of Science and Technology Information Daejeon Republic of Korea Faculty of Science P.J. Šafárik University Kosice Slovak Republic Affiliated with an Institute Covered by a Cooperation Agreement with CERN Geneva Switzerland Research Division and ExtreMe Matter Institute EMMI GSI Helmholtzzentrum für Schwerionenforschung GmbH Darmstadt Germany Universidade de São Paulo (USP) São Paulo Brazil Sezione di Torino INFN Turin Italy Central China Normal University Wuhan China Instituto de Física Universidad Nacional Autónoma de México Mexico City Mexico COMSATS University Islamabad Islamabad Pakistan Dipartimento di Fisica e Astronomia dell’Università and Sezione INFN Bologna Italy University of Houston Houston USA Department of Physics and Technology University of Bergen Bergen Norway Sezione di Cagliari INFN Cagliari Italy Institut für Kernphysik Johann Wolfgang Goethe-Universität Frankfurt Frankfurt Germany High Energy Physics Group Universidad Autónoma de Puebla Puebla Mexico Horia Hulubei National Institute of Physics and Nuclear Engineering Bucharest Romania Westfälische Wilhelms-Universität Münster Institut für Kernphysik Münster Germany Physikalisches Institut Ruprecht-Karls-Universität Heidelberg Heidelberg Germany Sezione di Padova INFN Padua Italy Lawrence Berkeley National Laboratory Berkeley USA SUBATECH IMT Atlantique Nantes Université CNR

The interaction of $$\textrm{K}^{-}$$ with protons is characterised by the presence of several coupled channels, systems like $${\overline{\textrm{K}}}^0$$ n and $$\uppi \Sigma $$ with a similar mass and the same quantum numbers as the $$\textrm{K}^{-}$$ p state. The strengths of these couplings to the $$\textrm{K}^{-}$$ p system are of crucial importance for the understanding of the nature of the $$\Lambda (1405)$$ resonance and of the attractive $$\textrm{K}^{-}$$ p strong interaction. In this article, we present measurements of the $$\textrm{K}^{-}$$ p correlation functions in relative momentum space obtained in pp collisions at $$\sqrt{s}~=~13$$ Te, in p–Pb collisions at $$\sqrt{s_{\textrm{NN}}}~=~5.02$$ Te, and (semi)peripheral Pb–Pb collisions at $$\sqrt{s_{\textrm{NN}}}~=~5.02$$ Te. The emitting source size, composed of a core radius anchored to the $$\textrm{K}^{+}$$ p correlation and of a resonance halo specific to each particle pair, varies between 1 and 2 fm in these collision systems. The strength and the effects of the $${\overline{\textrm{K}}}^0$$ n and $$\uppi \Sigma $$ inelastic channels on the measured $$\textrm{K}^{-}$$ p correlation function are investigated in the different colliding systems by comparing the data with state-of-the-art models of chiral potentials. A novel approach to determine the conversion weights $$\omega $$ , necessary to quantify the amount of produced inelastic channels in the correlation function, is presented. In this method, particle yields are estimated from thermal model predictions, and their kinematic distribution from blast-wave fits to measured data. The comparison of chiral potentials to the measured $$\textrm{K}^{-}$$ p interaction indicates that, while the $$\uppi \Sigma $$ – $$\textrm{K}^{-}$$ p dynamics is well reproduced by the model, the coupling to the $${\overline{\textrm{K}}}^0$$ n channel in the model is currently underestimated.

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Decoupled, energy stable scheme for hydrodynamic Allen-Cahn phase field moving contact line model*

arXiv

引用

arXiv 2017年

作者： Chen, Rui Yang, Xiaofeng Zhang, Hui Institute of Applied Physics and Computational Mathematics Beijing100088 China School of Science Beijing University of Posts and Telecommunications Beijing100876 China Department of Mathematics University of South Carolina ColumbiaSC29208 United States School of Mathematical Sciences Beijing Normal University Laboratory of Mathematics and Complex Systems Ministry of Education Beijing100875 China

In this paper, we present an efficient energy stable scheme to solve a phase field model incorporating contact line condition. Instead of the usually used Cahn-Hilliard type phase equation, we adopt the Allen-Cahn type phase field model with the static contact line boundary condition that coupled with incompressible Navier-Stokes equations with Navier boundary condition. The projection method is used to deal with the Navier-Stokes equations and an auxiliary function is introduced for the non-convex Ginzburg-Landau bulk potential. We show that the scheme is linear, decoupled and energy stable. Moreover, we prove that fully discrete scheme is also energy stable. An efficient finite element spatial discretization method is implemented to verify the accuracy and efficiency of proposed schemes. Numerical results show that the proposed scheme is very efficient and *** subject classification: 65N06, 65B99. Copyright © 2017, The Authors. All rights reserved.

关键词： Viscous flow

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Detecting community structures in Hi-C genomic data

Detecting community structures in Hi-C genomic data

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Annual Conference on Information Sciences and Systems (CISS)

作者： Irineo Cabreros Emmanuel Abbe Aristotelis Tsirigos Program in Applied and Computational Mathematics Princeton University Program in Applied and Computational Mathematics and Department of Electrical Engineering Princeton University Department of Pathology NYU Langone Medical Center

Community detection (CD) algorithms are applied to Hi-C data to discover new communities of loci in the 3D conformation of human and mouse DNA. We find that CD has some distinct advantages over pre-existing methods: (1) it is capable of finding a variable number of communities, (2) it can detect communities of DNA loci either adjacent or distant in the 1D sequence, and (3) it allows us to obtain a principled value of k, the number of communities present. Forcing k = 2, our method recovers earlier findings of Lieberman-Aiden, et al. (2009), but letting k be a parameter, our method obtains as optimal value k* = 6, discovering new candidate communities. In addition to discovering large communities that partition entire chromosomes, we also show that CD can detect small-scale topologically associating domains (TADs) such as those found in Dixon, et al. (2012). CD thus provides a natural and flexible statistical framework for understanding the folding structure of DNA at multiple scales in Hi-C data.

关键词： DNA Biological cells Three-dimensional displays Hidden Markov models Principal component analysis Algorithm design and analysis Genomics

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