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arXiv 2017年

作者： Hernandez-Rosales, Maribel Hellmuth, Marc Wieseke, Nicolas Huber, Katharina T. Moulton, Vincent Stadler, Peter F. Dpt. of Mathematics and Computer Science University of Greifswald Walther- Rathenau-Strasse 47 GreifswaldD-17487 Saarland University Center for Bioinformatics Building e 2.1 P.O. Box 151150 SaarbrückenD-66041 Bioinformatics Group Department of Computer Science Interdisciplinary Center of Bioinformatics University of Leipzig Härtelstraße 16-18 LeipzigD-04107 Germany School of Computing Sciences University of East Anglia NorwichNR4 7TJ United Kingdom Max-Planck-Institute for Mathematics in the Sciences Inselstraße 22 LeipzigD-04103 Germany Inst. F. Theoretical Chemistry University of Vienna Währingerstraße 17 WienA-1090 Austria Santa Fe Institute 1399 Hyde Park Rd. Santa Fe United States Parallel Computing and Complex Systems Group Department of Computer Science Leipzig University Augustusplatz 10 Leipzig04109 Germany

Background: Tree reconciliation problems have long been studied in phylogenetics. A particular variant of the reconciliation problem for a gene tree T and a species tree S assumes that for each interior vertex x of T it is known whether x represents a speciation or a duplication. This problem appears in the context of analyzing orthology data. Results: We show that S is a species tree for T if and only if S displays all rooted triples of T that have three distinct species as their leaves and are rooted in a speciation vertex. A valid reconciliation map can then be found in polynomial time. Simulated data shows that the event-labeled gene trees convey a large amount of information on underlying species trees, even for a large percentage of losses. Conclusions: The knowledge of event labels in a gene tree strongly constrains the possible species tree and, for a given species tree, also the possible reconciliation maps. Nevertheless, many degrees of freedom remain in the space of feasible solutions. In order to disambiguate the alternative solutions additional external constraints as well as optimization criteria could be employed. Copyright © 2017, The Authors. All rights reserved.

关键词： Polynomial approximation

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Journal of Information science and Engineering: Editorial notice

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Journal of Information science and Engineering 2005年第5期21卷 i-ii页

作者： Lee, Der-Tsai Amato, Nancy M. Chang, Shih-Fu Chen, Homer H. Chen, Tsuhan Hsu, Tsan-Sheng Hwang, Jenq-Neng Kuo, Sy-Yen Kuo, Tei-Wei Li, Chung-Sheng Tokuyama, Takeshi Wing, Jeannette Wu, Tzong-Chen Yen, John Computer Science at Texas A and M University United States Parasol Laboratory United States IEEE Transactions on Parallel and Distributed Systems Computing Research Association's Committee on the Status of Women in Computing Research CRA-W's Distributed Mentor Program United States Department of Electrical Engineering Columbia University United States Lab. United States College of Electrical Engineering and Computer Science National Taiwan University Taiwan IEEE Transactions on Circuits and Systems for Video Technology IEEE Department of Electrical and Computer Engineering Carnegie Mellon University Pittsburgh PA United States ACM ACM SIGACT IEEE Computer Society IICM Austria Research and Development of the Department Multimedia Signal Processing Technical Committee IEEE Signal Processing Society United States IEEE Transactions on Circuits and systems for Video Technology College of Electrical Engineering and Computer Science National Taiwan Ocean University Keelung Taiwan Department of Electrical Engineering National Taiwan University Taiwan Department of Computer Science and Information Engineering National Taiwan University Taipei Taiwan IEEE Technical Committee on Real-Time Systems Computer Science Division IBM T.J. Watson Research Center United States IBM Research Division Graduate School of Information Sciences Tohoku University Japan ACM IPSJ Mathematical Society of Japan Japan Department of Computer Science Computer Science Department Carnegie Mellon University United States National Academies of Science's Computer Science and Telecommunications Board United States Microsoft's Trustworthy Academic Advisory Board Intel Research Pittsburgh's Advisory Board United States Dartmouth's Institute for Security Technology Studies Advisory Committee Canada Sloan Research Fellowships Program Committee United States ACM Taiwan China Information Sciences and Technology Pennsylvania State University United States Laboratory for Intelligent Agents Penn State's School of Info

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Reconstructing gene trees from Fitch's xenology relation

arXiv

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arXiv 2017年

作者： Geiß, Manuela Anders, John Stadler, Peter F. Wieseke, Nicolas Hellmuth, Marc Bioinformatics Group Department of Computer Science Interdisciplinary Center of Bioinformatics University of Leipzig Härtelstraße 16-18 LeipzigD-04107 Germany Dpt. of Mathematics and Computer Science University of Greifswald Walther- Rathenau-Strasse 47 GreifswaldD-17487 Germany Saarland University Center for Bioinformatics Building E 2.1 P.O. Box 151150 SaarbrückenD-66041 Germany Max-Planck-Institute for Mathematics in the Sciences Inselstraße 22 LeipzigD-04103 Germany Inst. f. Theoretical Chemistry University of Vienna Währingerstraße 17 WienA-1090 Austria Santa Fe Institute 1399 Hyde Park Rd. Santa Fe United States Parallel Computing and Complex Systems Group Department of Computer Science Leipzig University Augustusplatz 10 Leipzig04109 Germany

Two genes are xenologs in the sense of Fitch if they are separated by at least one horizontal gene transfer event. Horizonal gene transfer is asymmetric in the sense that the transferred copy is distinguished from the one that remains within the ancestral lineage. Hence xenology is more precisely thought of as a non-symmetric relation: y is xenologous to x if y has been horizontally transferred at least once since it diverged from the least common ancestor of x and y. We show that xenology relations are characterized by a small set of forbidden induced subgraphs on three vertices. Furthermore, each xenology relation can be derived from a unique least-resolved edge-labeled phylogenetic tree. We provide a linear-time algorithm for the recognition of xenology relations and for the construction of its least-resolved edge-labeled phylogenetic tree. The fact that being a xenology relation is a heritable graph property, finally has far-reaching consequences on approximation problems associated with xenology relations. Copyright © 2017, The Authors. All rights reserved.

关键词： Clustering algorithms

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Ball prolate spheroidal wave functions in arbitrary dimensions

arXiv

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arXiv 2018年

作者： Zhang, Jing Li, Huiyuan Wang, Li-Lian Zhang, Zhimin School of Mathematics and Statistics Hubei Key Laboratory of Mathematical Sciences Central China Normal University Wuhan430079 China State Key Laboratory of Computer Science Laboratory of Parallel Computing Institute of Software Chinese Academy of Sciences Beijing100190 China Division of Mathematical Sciences School of Physical and Mathematical Sciences Nanyang Technological University Singapore637371 Beijing Computational Sciences and Research Center Beijing100193 China Department of Mathematics Wayne State University MI48202 United States

In this paper, we introduce the prolate spheroidal wave functions (PSWFs) of real order α > −1 on the unit ball in arbitrary dimension, termed as ball PSWFs. They are eigenfunctions of both a weighted concentration integral operator, and a Sturm-Liouville differential operator. Different from existing works on multi-dimensional PSWFs, the ball PSWFs are defined as a generalisation of orthogonal ball polynomials in primitive variables with a tuning parameter c > 0, through a "perturbation" of the Sturm-Liouville equation of the ball polynomials. From this perspective, we can explore some interesting intrinsic connections between the ball PSWFs and the finite Fourier and Hankel transforms. We provide an efficient and accurate algorithm for computing the ball PSWFs and the associated eigenvalues, and present various numerical results to illustrate the efficiency of the method. Under this uniform framework, we can recover the existing PSWFs by suitable variable *** Codes 42B37, 33E30, 33C47, 42C05, 65D20, 41A10 Copyright © 2018, The Authors. All rights reserved.

关键词： Eigenvalues and eigenfunctions

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Intrinsic Parameter Fluctuation and Process Variation Effect of Vertically Stacked Silicon Nanosheet Complementary Field-Effect Transistors

Intrinsic Parameter Fluctuation and Process Variation Effect...

引用

IEEE International Symposium on Quality Electronic Design

作者： Sekhar Reddy Kola Yiming Li Min-Hui Chuang Parallel and Scientific Computing Laboratory Hsinchu Taiwan Electrical Engineering and Computer Science International Graduate Program Hsinchu Taiwan Institute of Communications Engineering Hsinchu Taiwan Institute of Biomedical Engineering Hsinchu Taiwan Institute of Pioneer Semiconductor Innovation Hsinchu Taiwan Institute of Artificial Intelligence Innovation Hsinchu Taiwan Department of Electronics and Electrical Engineering National Yang Ming Chiao Tung University Hsinchu Taiwan Center for mmWave Smart Radar System and Technologies National Yang Ming Chiao Tung University Hsinchu Taiwan

We study the variability of vertically stacked gate-all-around silicon nanosheet (GAA Si NS) complementary field-effect transistors (CFETs). The process variation effect (PVE), the work function fluctuation (WKF), and the random dopant fluctuation (RDF) of CFETs are statistically estimated using an experimentally validated device simulation technique. Among five factors of PVE, the channel thickness (T Nch /T Pch ), the channel width (W ch ), and the gate length (L G ) are significant. Owing to superior GAA channel control and increased effective gate area, both WKF and RDF are suppressed. Notably, the PVE on both N-/P-FETs of GAA Si CFET induce the largest off-state current fluctuations of 80% and 278%, respectively, because the device characteristic is very sensitive to the layer thickness and width of channel.

关键词： Fluctuations Gallium arsenide Logic gates Electric variables Silicon Resource description framework Semiconductor process modeling

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CP2K: An electronic structure and molecular dynamics software package quickstep: Efficient and accurate electronic structure calculations

arXiv

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arXiv 2020年

作者： Kühne, Thomas D. Iannuzzi, Marcella Ben, Mauro Del Rybkin, Vladimir V. Seewald, Patrick Stein, Frederick Laino, Teodoro Khaliullin, Rustam Z. Schütt, Ole Schiffmann, Florian Golze, Dorothea Wilhelm, Jan Chulkov, Sergey Bani-Hashemian, Mohammad Hossein Weber, Valéry Borštnik, Urban Taillefumier, Mathieu Jakobovits, Alice Shoshana Lazzaro, Alfio Pabst, Hans Müller, Tiziano Schade, Robert Guidon, Manuel Andermatt, Samuel Holmberg, Nico Schenter, Gregory K. Hehn, Anna Bussy, Augustin Belleflamme, Fabian Tabacchi, Gloria Glöß, Andreas Lass, Michael Bethune, Iain Mundy, Christopher J. Plessl, Christian Watkins, Matt VandeVondele, Joost Krack, Matthias Hutter, Jürg Dynamics of Condensed Matter and Center for Sustainable Systems Design Chair of Theoretical Chemistry Paderborn University Warburger Str. 100 PaderbornD-33098 Germany Department of Chemistry University of Zurich Winterthurerstrasse 190 ZürichCH-8057 Switzerland Computational Research Division Lawrence Berkeley National Laboratory BerkeleyCA94720 United States IBM Research - Zurich Säumerstrasse 4 RüschlikonCH-8803 Switzerland Department of Chemistry McGill University CH-801 Sherbrooke St. West MontrealQCH3A 0B8 Canada Department of Materials ETH Zürich ZürichCH-8092 Switzerland Centre of Policy Studies Victoria University Melbourne Australia Department of Applied Physics Aalto University Otakaari 1 EspooFI-02150 Finland Institute of Theoretical Physics University of Regensburg Universitätsstraße 31 RegensburgD-93053 Germany School of Mathematics and Physics University of Lincoln Brayford Pool Lincoln United Kingdom Integrated Systems Laboratory ETH Zürich ZürichCH-8092 Switzerland Scientific IT Services ETH Zürich Zürich Switzerland ETH Zürich HPE Switzerland GmbH Basel Switzerland Intel Extreme Computing Software and Systems Zürich Switzerland Department of Computer Science and Paderborn Center for Parallel Computing Paderborn University Warburger Str. 100 PaderbornD-33098 Germany Department of Chemistry and Materials Science Aalto University P.O. Box 16100 Aalto00076 Finland Physical Science Division Pacific Northwest National Laboratory P. O. Box 999 RichlandWA99352 United States Department of Science and High Technology University of Insubria INSTM via Valleggio 9 ComoI-22100 Italy BASF SE Carl-Bosch-Straße 38 Ludwigshafen am RheinD-67056 Germany Hartree Centre Science and Technology Facilities Council United Kingdom Laboratory for Scientific Computing and Modelling Paul Scherrer Institute Villigen PSICH-5232 Switzerland

CP2K is an open source electronic structure and molecular dynamics software package to perform atomistic simulations of solid-state, liquid, molecular and biological systems. It is especially aimed at massively-parallel and linear-scaling electronic structure methods and state-of-the-art ab-initio molecular dynamics simulations. Excellent performance for electronic structure calculations is achieved using novel algorithms implemented for modern high-performance computing systems. This review revisits the main capabilities of CP2K to perform efficient and accurate electronic structure simulations. The emphasis is put on density functional theory and multiple post-Hartree-Fock methods using the Gaussian and plane wave approach and its augmented all-electron extension. Copyright © 2020, The Authors. All rights reserved.

关键词： Electronic structure

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arXiv

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arXiv 2024年

作者： Ren, Yingying Li, Qiuli Guo, Yangyang Pedrycz, Witold Xing, Lining Liu, Anfeng Song, Yanjie School of Computer Electronics and Information Guangxi University Nanning China Guangxi Key Laboratory of Multimedia Communications and Network Technology China Key Laboratory of Parallel Distributed and Intelligent Computing Guangxi University China School of Systems Science Beijing Jiaotong University Beijing China Department of Electrical and Computer Engineering University of Alberta Edmonton Canada Systems Research Institute Polish Academy of Sciences Poland Faculty of Engineering and Natural Sciences Department of Computer Engineering Sariyer Istanbul Turkey School of Electronic Engineering Xidian University Xian China School of Electronic Engineering Central South University Changsha China National Engineering Research Center of Maritime Navigation System Dalian Maritime University Dalian China

With the rapid development of the satellite industry, the information transmission network based on communication satellites has gradually become a major and important part of the future satellite ground integration network. However, the low transmission efficiency of the satellite data relay back mission has become a problem that is currently constraining the construction of the system and needs to be solved urgently. Effectively planning the task of satellite ground networking by reasonably scheduling resources is crucial for the efficient transmission of task data. In this paper, we hope to provide a task execution scheme that maximizes the profit of the networking task for satellite ground network planning considering feeding mode (SGNPFM). To solve the SGNPFM problem, a mixed-integer planning model with the objective of maximizing the gain of the link-building task is constructed, which considers various constraints of the satellite in the feed-switching mode. Based on the problem characteristics, we propose a distance similarity-based genetic optimization algorithm (DSGA), which considers the state characteristics between the tasks and introduces a weighted Euclidean distance method to determine the similarity between the tasks. To obtain more high-quality solutions, different similarity evaluation methods are designed to assist the algorithm in intelligently screening individuals. The DSGAalso uses an adaptive crossover strategy based on similarity mechanism, which guides the algorithm to achieve efficient population search. In addition, a task scheduling algorithm considering the feed-switching mode is designed for decoding the algorithm to generate a highquality scheme. The results of simulation experiments show that the DSGA can effectively solve the SGNPFM problem. Compared to other algorithms, the proposed algorithm not only obtains higher quality planning schemes but also has faster algorithm convergence speed. The proposed algorithm improves data trans

关键词： Profitability

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Assessing Trustworthy AI in Times of COVID-19: Deep Learning for Predicting a Multiregional Score Conveying the Degree of Lung Compromise in COVID-19 Patients

IEEE Transactions on Technology and Society

引用

IEEE Transactions on Technology and Society 2022年第4期3卷 272-289页

作者： Allahabadi, Himanshi Amann, Julia Balot, Isabelle Beretta, Andrea Binkley, Charles Bozenhard, Jonas Bruneault, Frederick Brusseau, James Candemir, Sema Cappellini, Luca Alessandro Chakraborty, Subrata Cherciu, Nicoleta Cociancig, Christina Coffee, Megan Ek, Irene Espinosa-Leal, Leonardo Farina, Davide Fieux-Castagnet, Genevieve Frauenfelder, Thomas Gallucci, Alessio Giuliani, Guya Golda, Adam Van Halem, Irmhild Hildt, Elisabeth Holm, Sune Kararigas, Georgios Krier, Sebastien A. Kuhne, Ulrich Lizzi, Francesca Madai, Vince I. Markus, Aniek F. Masis, Serg Mathez, Emilie Wiinblad Mureddu, Francesco Neri, Emanuele Osika, Walter Ozols, Matiss Panigutti, Cecilia Parent, Brendan Pratesi, Francesca Moreno-Sanchez, Pedro A. Sartor, Giovanni Savardi, Mattia Signoroni, Alberto Sormunen, Hanna-Maria Spezzatti, Andy Srivastava, Adarsh Stephansen, Annette F. Theng, Lau Bee Tithi, Jesmin Jahan Tuominen, Jarno Umbrello, Steven Vaccher, Filippo Vetter, Dennis Westerlund, Magnus Wurth, Renee Zicari, Roberto V. Ey Netherlands Enterprise Intelligence Department Amsterdam1083 HP Netherlands Eth Zurich Health Ethics and Policy Lab Department of Health Sciences and Technology Zürich8092 Switzerland Center for Diplomatic and Strategic Studies Postgraduate Studies in Diplomacy and International Relations Paris75015 France Pisa56124 Italy Hackensack Meridian Health Bioethics Center EdisonNJ08820 United States University of Oxford Faculty of Philosophy OxfordOX2 6GG United Kingdom Collège André- Laurendeau Philosophie Department MontrealQCH8N 2J4 Canada Université du Québec À Montréal École des Médias MontrealQCH2L 2C4 Canada Pace University Philosophy Department New YorkNY10038 United States The Ohio State University Wexner Medical Center Department of Radiology ColumbusOH43210 United States Humanitas Research Hospital Department of Radiology Milan20089 Italy Humanitas University Department of Biomedical Sciences Milan20089 Italy University of New England Faculty of Science Agriculture Business and Law ArmidaleNSW2351 Australia University of Technology Sydney Faculty of Engineering and Information Technology SydneyNSW2007 Australia Scuola Superiore Sant'Anna European Centre of Excellence on the Regulation of Robotics and Ai Pisa56127 Italy University of Bremen Group of Computer Architecture Bremen28359 Germany New York University Grossman School of Medicine Division of Infectious Diseases and Immunology Department of Medicine New YorkNY10016 United States Digital Institute Ai Research Section Stockholm16731 Sweden Arcada University of Applied Sciences Department of Business Management and Analytics Helsinki00550 Finland University of Brescia Radiological Sciences and Public Health Department of Medical and Surgical Specialties Brescia25121 Italy Sncf Reseau Sa Ethique Groupe La Plaine93418 France Institute of Diagnostic and Interventional Radiology University Hospital Zurich Zürich8091 Switzerland Eindhoven University of Tech

This article's main contributions are twofold: 1) to demonstrate how to apply the general European Union's High-Level Expert Group's (EU HLEG) guidelines for trustworthy AI in practice for the domain of healthcare and 2) to investigate the research question of what does 'trustworthy AI' mean at the time of the COVID-19 pandemic. To this end, we present the results of a post-hoc self-assessment to evaluate the trustworthiness of an AI system for predicting a multiregional score conveying the degree of lung compromise in COVID-19 patients, developed and verified by an interdisciplinary team with members from academia, public hospitals, and industry in time of pandemic. The AI system aims to help radiologists to estimate and communicate the severity of damage in a patient's lung from Chest X-rays. It has been experimentally deployed in the radiology department of the ASST Spedali Civili clinic in Brescia, Italy, since December 2020 during pandemic time. The methodology we have applied for our post-hoc assessment, called Z-Inspection®, uses sociotechnical scenarios to identify ethical, technical, and domain-specific issues in the use of the AI system in the context of the pandemic. © 2020 IEEE.

关键词： COVID-19

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Cograph editing: Merging modules is equivalent to editing P4s

arXiv

引用

arXiv 2017年

作者： Fritz, Adrian Hellmuth, Marc Wieseke, Nicolas Stadler, Peter F. Computational Biology of Infection Research Helmholtz Centre for Infection Research Inhoffenstraße 7 BraunschweigD-38124 Germany University of Greifswald Dpt. of Mathematics and Computer Science Walther- Rathenau-Strasse 47 GreifswaldD-17487 Germany Saarland University Center for Bioinformatics Building e 2.1 P.O. Box 151150 SaarbrückenD-66041 Germany Parallel Computing and Complex Systems Group Department of Computer Science University of Leipzig Augustusplatz 10 LeipzigD-04109 Germany Bioinformatics Group Department of Computer Science Interdisciplinary Center of Bioinformatics University of Leipzig Härtelstraße 16-18 LeipzigD-04107 Germany Max-Planck-Institute for Mathematics in the Sciences Inselstraße 22 LeipzigD-04103 Germany Inst. F. Theoretical Chemistry University of Vienna Währingerstraße 17 WienA-1090 Austria Santa Fe Institute 1399 Hyde Park Rd. Santa FeNM87501 United States

The modular decomposition of a graph G = (V;E) does not contain prime modules if and only if G is a cograph, that is, if no quadruple of vertices induces a simple connected path P4. The cograph editing problem consists in inserting into and deleting from G a set F of edges so that H = (V,EΔF) is a cograph and |F| is minimum. This NP-hard combinatorial optimization problem has recently found applications, e.g., in the context of phylogenetics. Efficient heuristics are hence of practical importance. The simple characterization of cographs in terms of their modular decomposition suggests that instead of editing G one could operate directly on the modular decomposition. We show here that editing the induced P4s is equivalent to resolving prime modules by means of a suitable defined merge operation on the submodules. Moreover, we characterize so-called module-preserving edit sets and demonstrate that optimal pairwise sequences of module-preserving edit sets exist for every non-cograph. This eventually leads to an exact algorithm for the cograph editing problem. In addition, we provide two heuristics with time complexity O(|V|3), resp., O(|V|2). Copyright © 2017, The Authors. All rights reserved.

关键词： Graph theory

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Application of Deep Artificial Neural Network to Model Characteristic Fluctuation of Multi-Channel Gate-All-Around Silicon Nanosheet and Nanofin MOSFETs Induced by Random Nanosized Metal Grains

Application of Deep Artificial Neural Network to Model Chara...

引用

IEEE Electron Devices Technology and Manufacturing Conference (EDTM)

作者： Sagarika Dash Yiming Li Wen-Li Sung Parallel and Scientific Computing Laboratory National Yang-Ming Chiao Tung University Hsinchu Taiwan Electrical Engineering and Computer Science International Graduate Program National Yang-Ming Chiao Tung University Hsinchu Taiwan Institute of Communications Engineering National Yang-Ming Chiao Tung University Hsinchu Taiwan Department of Electronics and Electrical Engineering National Yang-Ming Chiao Tung University Hsinchu Taiwan Institute of Biomedical Engineering National Yang-Ming Chiao Tung University Hsinchu Taiwan Center for mm Wave Smart Radar System and Technologies National Yang-Ming Chiao Tung University Hsinchu Taiwan

In this work, we propose a deep artificial neural network (D-ANN) to estimate the work function fluctuation (WKF) on 4-channel stacked gate-all-around (GAA) silicon (Si) nanosheet (NS) and nanofin (NF) MOSFET devices for the first time. The 2-layered simple deep model can well predict the transfer characteristics for both NS/NF FET with a large number of (128) input features, utilizing considerably lesser (1100 samples) data uniformly. The resultant model is evaluated by the $\mathrm{R}^{2}$ score and RMSE to witness its competency and the average error is $< 4\%$ . We do also discuss the circuit simulation possibility by applying the ANN approach.

关键词： Semiconductor device modeling MOSFET Gallium arsenide Artificial neural networks Predictive models Logic gates Silicon

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