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Correction to: engineering of Novel Fe-Based Bulk Metallic Glasses Using a Machine Learning-Based Approach

Arabian Journal for science and engineering 2021年第12期46卷 12757-12757页

作者： Chen, Tzu-Chia Rajiman, Rajiman Elveny, Marischa Guerrero, John William Grimaldo Lawal, Adedoyin Isola Dwijendra, Ngakan Ketut Acwin Surendar, Aravindhan Danshina, Svetlana Dmitrievna Zhu, Yu CAIC DPU Bangkok Thailand Universitas Bandar Lampung Bandar Lampung Indonesia Data Science and Computational Intelligence Research Group Universitas Sumatera Utara Medan Indonesia Department of Energy Universidad de la Costa Barranquilla Colombia Department of Accounting and Finance Landmark University Omu-Aran Nigeria Sustainable Development Goal 17 (Partnership for the Goals) Research Cluster Landmark University Omu-Aran Nigeria Faculty of Engineering Udayana University Bali Indonesia Saveetha Institute of Medical and Technical Sciences Chennai India Sechenov First Moscow State Medical University Moscow Russia School of Mechanical Engineering Jiangsu University Zhenjiang China

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Evaluating stochastic seeding strategies in networks

arXiv

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arXiv 2018年

作者： Chin, Alex Eckles, Dean Ugander, Johan Department of Statistics Stanford University Sloan School of Management Massachusetts Institute of Technology Institute for Data Systems & Society Massachusetts Institute of Technology Management Science & Engineering Department Stanford University Institute for Computational & Mathematical Engineering Stanford University

When trying to maximize the adoption of a behavior in a population connected by a social network, it is common to strategize about where in the network to seed the behavior, often with an element of randomness. Selecting seeds uniformly at random is a basic but compelling strategy in that it distributes seeds broadly throughout the network. A more sophisticated stochastic strategy, one-hop targeting, is to select random network neighbors of random individuals;this exploits a version of the friendship paradox, whereby the friend of a random individual is expected to have more friends than a random individual, with the hope that seeding a behavior at more connected individuals leads to more adoption. Many seeding strategies have been proposed, but empirical evaluations have demanded large field experiments designed specifically for this purpose and have yielded relatively imprecise comparisons of strategies. Here we show how stochastic seeding strategies can be evaluated more efficiently in such experiments, how they can be evaluated "off-policy" using existing data arising from experiments designed for other purposes, and how to design more efficient experiments. In particular, we consider contrasts between stochastic seeding strategies and analyze nonparametric estimators adapted from policy evaluation and importance sampling. We use simulations on real networks to show that the proposed estimators and designs can dramatically increase precision while yielding valid inference. We then apply our proposed estimators to two field experiments, one that assigned households to an intensive marketing intervention and one that assigned students to an anti-bullying intervention. Copyright © 2018, The Authors. All rights reserved.

关键词： Stochastic systems

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Author Correction: Genomic footprints of activated telomere maintenance mechanisms in cancer (Dec, 10.1038/s41467-019-13824-9, 2022)

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NATURE COMMUNICATIONS 2022年第1期13卷 1-1页

作者： Sieverling, Lina Hong, Chen Koser, Sandra D. Ginsbach, Philip Kleinheinz, Kortine Hutter, Barbara Braun, Delia M. Cortes-Ciriano, Isidro Xi, Ruibin Kabbe, Rolf Park, Peter J. Eils, Roland Schlesner, Matthias Brors, Benedikt Rippe, Karsten Jones, David T. W. Feuerbach, Lars Division of Applied Bioinformatics German Cancer Research Center (DKFZ) 69120 Heidelberg Germany Faculty of Biosciences Heidelberg University 69120 Heidelberg Germany Division of Applied Bioinformatics German Cancer Research Center (DKFZ) Heidelberg Germany Faculty of Biosciences Heidelberg University Heidelberg Germany Division of Theoretical Bioinformatics German Cancer Research Center (DKFZ) 69120 Heidelberg Germany Department for Bioinformatics and Functional Genomics Institute for Pharmacy and Molecular Biotechnology (IPMB) and BioQuant 69120 Heidelberg Germany Division of Theoretical Bioinformatics German Cancer Research Center (DKFZ) Heidelberg Germany Institute of Pharmacy and Molecular Biotechnology and BioQuant Heidelberg University Heidelberg Germany German Cancer Consortium (DKTK) Heidelberg Germany National Center for Tumor Diseases (NCT) Heidelberg Heidelberg Germany Heidelberg Center for Personalized Oncology (DKFZ-HIPO) German Cancer Research Center (DKFZ) Heidelberg Germany German Cancer Consortium (DKTK) German Cancer Research Center (DKFZ) Heidelberg Germany Division of Chromatin Networks German Cancer Research Center (DKFZ) and BioQuant 69120 Heidelberg Germany Department of Biomedical Informatics Harvard Medical School Boston Massachusetts 02115 USA Department of Chemistry Centre for Molecular Science Informatics University of Cambridge Cambridge CB2 1EW UK Ludwig Center at Harvard Medical School Boston Massachusetts 02115 USA Department of Biomedical Informatics Harvard Medical School Boston MA USA Department of Chemistry Centre for Molecular Science Informatics University of Cambridge Cambridge UK Ludwig Center at Harvard Medical School Boston MA USA School of Mathematical Sciences and Center for Statistical Science Peking University Beijing 100871 China Heidelberg University Heidelberg Germany New BIH Digital Health Center Berlin Institute of Health (BIH) and Charité - Universitätsmedizin Berlin Berlin Germany Bioi

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Soft MAX phases with boron substitution: A computational prediction

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Physical Review Materials 2018年第10期2卷 103605-103605页

作者： Poulami Chakraborty Aurab Chakrabarty Amlan Dutta Tanusri Saha-Dasgupta Department of Condensed Matter Physics and Materials Science S. N. Bose National Centre for Basic Sciences JD Block Sector III Salt Lake Kolkata 700106 India Department of Metallurgical and Materials Engineering Indian Institute of Technology Kharagpur Kharagpur 721302 India Center for Mathematical Computational and Data Science Indian Association for the Cultivation of Science Kolkata 700032 India

With a goal to improve upon the mechanical properties of the MAX phase, materials of high technological interest, we explore boron substitution in these compounds. Employing first-principles density functional theory (DFT) calculations, combined with continuum modeling to access the core structure of dislocations, we investigate the effect of boron-substitution on plastic deformation properties of a typical MAX phase compound, V2AlC. Our T=0 K results show that, due to the differential nature of chemical bonding between V and B compared to that between V and C, both V-Al and V-B basal slip planes get activated in boron-substituted compounds, compared to only V-Al basal slip in the parent compound. This, in turn, makes the boron compounds significantly more ductile compared to their carbide counterpart V2AlC. The computation of temperature-dependent free energies of stable and unstable stacking faults further reveals the important and interesting role of thermal fluctuations in the deformation behavior of the boride compounds at elevated temperature. This suggests a change in the microscopic mechanism of plastic deformation upon varying temperature condition in the proposed boron compounds. Our study should motivate future exploration of boron-based MAX compounds.

关键词： Plasticity

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Dense matter with eXTP

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science China(Physics,Mechanics & Astronomy) 2019年第2期62卷 28-44页

作者： Anna L.Watts WenFei Yu Juri Poutanen Shu Zhang Sudip Bhattacharyya Slavko Bogdanov Long Ji Alessandro Patruno Thomas E.Riley Pavel Bakala Altan Baykal Federico Bernardini Ignazio Bombaci Edward Brown Yuri Cavecchi Deepto Chakrabarty Jér?me Chenevez Nathalie Degenaar Melania Del Santo Tiziana Di Salvo Victor Doroshenko Maurizio Falanga Robert D.Ferdman Marco Feroci Angelo F.Gambino MingYu Ge Svenja K.Greif Sebastien Guillot Can Gungor Dieter H.Hartmann Kai Hebeler Alexander Heger Jeroen Homan Rosario Iaria Jean in 't Zand Oleg Kargaltsev Aleksi KurkelaTheoretical Physics department CERN XiaoYu Lai Ang Li XiangDong Li ZhaoSheng Li Manuel Linares FangJun Lu Simin Mahmoodifar Mariano Méndez M.Coleman Miller Sharon Morsink Joonas N?ttil? Andrea Possenti Chanda Prescod-Weinstein JinLu Qu Alessandro Riggio Tuomo Salmi Andrea Sanna Andrea Santangelo Hendrik Schatz Achim Schwenk LiMing Song Eva?rámková Benjamin Stappers Holger Stiele Tod Strohmayer Ingo Tews Laura Tolos Gabriel T?r?k David Tsang Martin Urbanec Andrea Vacchi RenXin Xu YuPeng Xu Silvia Zane GuoBao Zhang ShuangNan Zhang WenDa Zhang ShiJie Zheng Xia Zhou Anton Pannekoek Institute for Astronomy University of Amsterdam Shanghai Astronomical Observatory Tuorla Observatory Department of Physics and Astronomy University of Turku Nordita KTH Royal Institute of Technology and Stockholm University Institute of High Energy Physics Chinese Academy Sciences Tata Institute of Fundamental Research Columbia Astrophysics Laboratory Columbia University Institut für Astronomie und Astrophysik Tübingen Universit?t Tübingen Leiden Observatory Leiden University Research Center for Computational Physics and Data Processing Silesian University in Opava Physics Department Middle East Technical University INAF Osservatorio Astronomico di Roma New York University Abu Dhabi Dipartimento di Fisica Enrico Fermi University of Pisa INFN Italian National Institute for Nuclear Physics Department of Physics and Astronomy Michigan State University Department of Astrophysical Sciences Princeton University Mathematical Sciences and STAG Research Centre University of Southampton MIT Kavli Institute for Astrophysics and Space Research DTU Space Technical University of Denmark INAF/IASF Palermo via Ugo La Malfa 153 Universita degli Studi di Palermo Dipartimento di Fisica e Chimica International Space Science Institute (ISSI) Faculty of Science University of East Anglia INAF Istituto di Astrofisica e Planetologie Spaziali Institut für Kernphysik Technische Universit?t Darmstadt ExtreMe Matter Institute EMMI GSI Helmholtzzentrum für Schwerionenforschung GmbH Instituto de Astrof'?sica Pontificia Universidad Católica de Chile Department of Physics & Astronomy Kinard Lab of Physics Clemson University School of Physics and Astronomy Monash University SRON Netherlands Institute for Space Research Department of Physics The George Washington University Faculty of Science and Technology University of Stavanger School of Physics and Mechanical & Electrical Engineering Hubei University of Education Department of Astronomy Xiamen University (Haiyun Campus) School of Astronomy and Space

In this White Paper we present the potential of the Enhanced X-ray Timing and Polarimetry(eXTP) mission for determining the nature of dense matter; neutron star cores host an extreme density regime which cannot be replicated in a terrestrial laboratory. The tightest statistical constraints on the dense matter equation of state will come from pulse profile modelling of accretion-powered pulsars, burst oscillation sources, and rotation-powered pulsars. Additional constraints will derive from spin measurements, burst spectra, and properties of the accretion flows in the vicinity of the neutron star. Under development by an international Consortium led by the Institute of High Energy Physics of the Chinese Academy of sciences, the eXTP mission is expected to be launched in the mid 2020 s.

关键词： neutron X-rays dense matter equation of state

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Modeling temporal networks with bursty activity patterns of nodes and links

arXiv

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arXiv 2019年

作者： Hiraoka, Takayuki Masuda, Naoki Li, Aming Jo, Hang-Hyun Asia Pacific Center for Theoretical Physics Pohang37673 Korea Republic of Department of Mathematics University at Buffalo State University of New York BuffaloNY14260-2900 United States Computational and Data-Enabled Science and Engineering Program University at Buffalo State University of New York BuffaloNY14260-5030 United States Department of Zoology University of Oxford OxfordOX1 3PS United Kingdom Department of Biochemistry University of Oxford OxfordOX1 3QU United Kingdom Department of Physics Pohang University of Science and Technology Pohang37673 Korea Republic of Department of Computer Science Aalto University EspooFI-00076 Finland

The concept of temporal networks provides a framework to understand how the interaction between system components changes over time. In empirical communication data, we often detect non-Poissonian, so-called bursty behavior in the activity of nodes as well as in the interaction between nodes. However, such reconciliation between node burstiness and link burstiness cannot be explained if the interaction processes on different links are independent of each other. This is because the activity of a node is the superposition of the interaction processes on the links incident to the node and the superposition of independent bursty point processes is not bursty in general. Here we introduce a temporal network model based on bursty node activation and show that it leads to heavy-tailed inter-event time distributions for both node dynamics and link dynamics. Our analysis indicates that activation processes intrinsic to nodes give rise to dynamical correlations across links. Our framework offers a way to model competition and correlation between links, which is key to understanding dynamical processes in various systems. Copyright © 2019, The Authors. All rights reserved.

关键词： Chemical activation

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Mutual clustering on comparative texts via heterogeneous information networks

arXiv

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arXiv 2019年

作者： Cao, Jianping Wang, Senzhang Wen, Danyan Peng, Zhaohui Yu, Philip S. Wang, Fei-yue Research Center for Military Computational Experiments and Parallel Systems Technology National University of Defense Technology Changsha410073 China Ministry of Industry and Information Technology Nanjing211106 China School of Economics & Management Nanjing University of Science and Technology Nanjing210094 China School of Computer Science and Technology Shandong University Qingdao China Department of Computer Science University of Illinois at Chicago Chicago60607 United States Institute for Data Science Tsinghua University Beijing100084 China Beijing China Qingdao Academy of Intelligent Industries Qingdao266000 China Institute of Systems Engineering Macau University of Science and Technology Macau999078 China

Currently, many intelligence systems contain the texts from multi-sources, e.g., bulletin board system (BBS) posts, tweets and news. These texts can be "comparative" since they may be semantically correlated and thus provide us with different perspectives toward the same topics or events. To better organize the multi-sourced texts and obtain more comprehensive knowledge, we propose to study the novel problem of Mutual Clustering on Comparative Texts (MCCT), which aims to cluster the comparative texts simultaneously and collaboratively. The MCCT problem is difficult to address because 1) comparative texts usually present different data formats and structures and thus they are hard to organize, and 2) there lacks an effective method to connect the semantically correlated comparative texts to facilitate clustering them in an unified way. To this aim, in this paper we propose a Heterogeneous Information Network-based Text clustering framework HINT. HINT first models multi-sourced texts (e.g. news and tweets) as heterogeneous information networks by introducing the shared "anchor texts" to connect the comparative texts. Next, two similarity matrices based on HINT as well as a transition matrix for cross-text-source knowledge transfer are constructed. Comparative texts clustering are then conducted by utilizing the constructed matrices. Finally, a mutual clustering algorithm is also proposed to further unify the separate clustering results of the comparative texts by introducing a clustering consistency constraint. We conduct extensive experimental on three tweets-news datasets, and the results demonstrate the effectiveness and robustness of the proposed method in addressing the MCCT problem. Copyright © 2019, The Authors. All rights reserved.

关键词： Clustering algorithms

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High temperature structure detection in ferromagnets

arXiv

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arXiv 2018年

作者： Cao, Yuan Neykov, Matey Liu, Han Program in Applied and Computational Mathematics Princeton University PrincetonNJ United States Department of Statistics & Data Science Carnegie Mellon University PittsburghPA United States Department of Electrical Engineering and Computer Science Northwestern University EvanstonIL United States

This paper studies structure detection problems in high temperature ferromagnetic (positive interaction only) Ising models. The goal is to distinguish whether the underlying graph is empty, i.e., the model consists of independent Rademacher variables, versus the alternative that the underlying graph contains a subgraph of a certain structure. We give matching upper and lower minimax bounds under which testing this problem is possible/impossible respectively. Our results reveal that a key quantity called graph arboricity drives the testability of the problem. On the computational front, under a conjecture of the computational hardness of sparse principal component analysis, we prove that, unless the signal is strong enough, there are no polynomial time linear tests on the sample covariance matrix which are capable of testing this problem. Copyright © 2018, The Authors. All rights reserved.

关键词： Ferromagnetism

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Learning from learning machines: A new generation of AI technology to meet the needs of science

arXiv

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arXiv 2021年

作者： Pion-Tonachini, Luca Bouchard, Kristofer Martin, Hector Garcia Peisert, Sean Holtz, W. Bradley Aswani, Anil Dwivedi, Dipankar Wainwright, Haruko Pilania, Ghanshyam Nachman, Benjamin Marrone, Babetta L. Falco, Nicola Prabhat Arnold, Daniel Wolf-Yadlin, Alejandro Powers, Sarah Climer, Sharlee Jackson, Quinn Carlson, Ty Sohn, Michael Zwart, Petrus Kumar, Neeraj Justice, Amy Tomlin, Claire Jacobson, Daniel Micklem, Gos Gkoutos, Georgios V. Bickel, Peter J. Cazier, Jean-Baptiste Müller, Juliane Webb-Robertson, Bobbie-Jo Stevens, Rick Anderson, Mark Kreutz-Delgado, Ken Mahoney, Michael W. Brown, James B. Pattern Computer Inc. Friday HarborWA98250 United States Biosciences Area Lawrence Berkeley National Lab BerkeleyCA94803 United States Computational Research Division Lawrence Berkeley National Lab BerkeleyCA94720 United States Helen Wils Neuroscience Institute Redwood Center for Theoretical Neuroscience Uc Berkeley BerkeleyCA94720 United States Doe Agile BioFoundry Lawrence Berkeley National Laboratory BerkeleyCA94803 United States Joint BioEnergy Institute Lawrence Berkeley National Laboratory BerkeleyCA94803 United States Bcam Basque Center for Applied Mathematics Bilbao48009 Spain Computer Science University of California Davis DavisCA95616 United States Cenic La MiradaCA90638 United States Health Informatics University of California Davis School of Medicine SacramentoCA95817 United States Berkeley Institute for Data Science University of California Berkeley BerkeleyCA94720 United States Industrial Engineering and Operations Research University of California Berkeley BerkeleyCA94720 United States Environmental & Earth Sciences Area Lawrence Berkeley National Laboratory BerkeleyCA94803 United States Nuclear Engineering University of California Berkeley BerkeleyCA94720 United States Materials Science and Technology Division Los Alamos National Laboratory Los AlamosNM87545 United States Physics Division Lawrence Berkeley National Lab BerkeleyCA94720 United States Bioscience Division Los Alamos National Laboratory Los AlamosNM87545 United States Earth and Environmental Sciences Area Lawrence Berkeley National Lab BerkeleyCA94803 United States Energy Technologies Area Lawrence Berkeley National Lab BerkeleyCA94803 United States Computing and Computational Sciences Oak Ridge National Laboratory Oak RidgeTN37831 United States Industrial & Systems Engineering The University of Tennessee KnoxvilleTN37996 United States Department of Computer Science University of Missouri-Saint Louis St. LouisMO63121 United

We outline emerging opportunities and challenges to enhance the utility of AI for scientific discovery. The distinct goals of AI for industry versus the goals of AI for science create tension between identifying patterns in data versus discovering patterns in the world from data. If we address the fundamental challenges associated with "bridging the gap" between domain-driven scientific models and data-driven AI learning machines, then we expect that these AI models can transform hypothesis generation, scientific discovery, and the scientific process itself. © 2021, CC BY.

关键词： Learning systems

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End-to-end symmetry preserving inter-atomic potential energy model for finite and extended systems 18

End-to-end symmetry preserving inter-atomic potential energy...

引用

Proceedings of the 32nd International Conference on Neural Information Processing Systems

作者： Linfeng Zhang Jiequn Han Han Wang Wissam A. Saidi Roberto Car E. Weinan Program in Applied and Computational Mathematics Princeton University Institute of Applied Physics and Computational Mathematics China and CAEP Software Center for High Performance Numerical Simulation China Department of Mechanical Engineering and Materials Science University of Pittsburgh Program in Applied and Computational Mathematics Princeton University and Department of Chemistry and Department of Physics Princeton University and Princeton Institute for the Science and Technology of Materials Princeton University Program in Applied and Computational Mathematics Princeton University and Department of Mathematics Princeton University and Beijing Institute of Big Data Research China

Machine learning models are changing the paradigm of molecular modeling, which is a fundamental tool for material science, chemistry, and computational biology. Of particular interest is the inter-atomic potential energy surface (PES). Here we develop Deep Potential - Smooth Edition (DeepPot-SE), an end-to-end machine learning-based PES model, which is able to efficiently represent the PES of a wide variety of systems with the accuracy of ab initio quantum mechanics models. By construction, DeepPot-SE is extensive and continuously differentiable, scales linearly with system size, and preserves all the natural symmetries of the system. Further, we show that DeepPot-SE describes finite and extended systems including organic molecules, metals, semiconductors, and insulators with high fidelity.

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