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quantum Chemistry in the Age of quantum computing

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arXiv 2018年

作者： Cao, Yudong Romero, Jonathan Olson, Jonathan P. Degroote, Matthias Johnson, Peter D. Kieferová, Mária Kivlichan, Ian D. Menke, Tim Peropadre, Borja Sawaya, Nicolas P.D. Sim, Sukin Veis, Libor Aspuru-Guzik, Alán Department of Chemistry and Chemical Biology Harvard University CambridgeMA02138 United States Zapata Computing Inc. CambridgeMA02139 United States Department of Chemistry University of Toronto TorontoONM5G 1Z8 Canada Department of Computer Science University of Toronto TorontoONM5G 1Z8 Canada Department of Physics and Astronomy Macquarie University SydneyNSW2109 Australia Institute for Quantum Computing Department of Physics and Astronomy University of Waterloo WaterlooONN2L 3G1 Canada Department of Physics Harvard University CambridgeMA02138 United States Research Laboratory of Electronics Massachusetts Institute of Technology CambridgeMA02139 United States Department of Physics Massachusetts Institute of Technology CambridgeMA02139 United States Intel Labs Intel Corporation Santa ClaraCA95054 United States J. Heyrovský Institute of Physical Chemistry Academy of Sciences of the Czech Republic v.v.i. Dolejškova 3 Prague 818223 Czech Republic Canadian Institute for Advanced Research TorontoONM5G 1Z8 Canada Vector Institute for Artificial Intelligence TorontoONM5S 1M1 Canada

Practical challenges in simulating quantum systems on classical computers have been widely recognized in the quantum physics and quantum chemistry communities over the past century. Although many approximation methods have been introduced, the complexity of quantum mechanics remains hard to appease. The advent of quantum computation brings new pathways to navigate this challenging complexity landscape. By manipulating quantum states of matter and taking advantage of their unique features such as superposition and entanglement, quantum computers promise to efficiently deliver accurate results for many important problems in quantum chemistry such as the electronic structure of molecules. In the past two decades significant advances have been made in developing algorithms and physical hardware for quantum computing, heralding a revolution in simulation of quantum systems. This article is an overview of the algorithms and results that are relevant for quantum chemistry. The intended audience is both quantum chemists who seek to learn more about quantum computing, and quantum computing researchers who would like to explore applications in quantum chemistry. Copyright © 2018, The Authors. All rights reserved.

关键词： quantum optics

Neural network identification of people hidden from view with a single-pixel, single-photon detector

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arXiv 2017年

作者： Caramazza, Piergiorgio Boccolini, Alessandro Buschek, Daniel Hullin, Matthias Higham, Catherine Henderson, Robert Murray-Smith, Roderick Faccio, Daniele Institute of Photonics and Quantum Sciences Heriot-Watt University EdinburghEH14 4AS United Kingdom Munich Germany Institute for Computer Science II University of Bonn Friedrich-Ebert-Allee 144 Bonn53113 Germany Institute for Micro and Nano Systems University of Edinburgh EdinburghEH8 9YL United Kingdom School of Computing Science University of Glasgow GlasgowG12 8QQ United Kingdom

Light scattered from multiple surfaces can be used to retrieve information of hidden environments. However, full three-dimensional retrieval of an object hidden from view by a wall has only been achieved with scanning systems and requires intensive computational processing of the retrieved data. Here we use a non-scanning, single-photon single-pixel detector in combination with an artificial neural network: this allows us to locate the position and to also simultaneously provide the actual identity of a hidden person, chosen from a database of people (N=3). Artificial neural networks applied to specific computational imaging problems can therefore enable novel imaging capabilities with hugely simplified hardware and processing times. Copyright © 2017, The Authors. All rights reserved.

关键词： Neural networks

Erratum to: Search for diboson resonances in hadronic final states in 139 fb−1 of pp collisions at = 13 TeV with the ATLAS detector

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Journal of High Energy Physics 2020年第6期2020卷 1-19页

作者： Aad, G. Abbott, B. Abbott, D. C. Abdinov, O. Abed Abud, A. Abeling, K. Abhayasinghe, D. K. Abidi, S. H. AbouZeid, O. S. Abraham, N. L. Abramowicz, H. Abreu, H. Abulaiti, Y. Acharya, B. S. Achkar, B. Adachi, S. Adam, L. Adam Bourdarios, C. Adamczyk, L. Adamek, L. Adelman, J. Adersberger, M. Adiguzel, A. Adorni, S. Adye, T. Affolder, A. A. Afik, Y. Agapopoulou, C. Agaras, M. N. Aggarwal, A. Agheorghiesei, C. Aguilar-Saavedra, J. A. Ahmadov, F. Ahmed, W. S. Ai, X. Aielli, G. Akatsuka, S. Åkesson, T. P. A. Akilli, E. Akimov, A. V. Al Khoury, K. Alberghi, G. L. Albert, J. Alconada Verzini, M. J. Alderweireldt, S. Aleksa, M. Aleksandrov, I. N. Alexa, C. Alexandre, D. Alexopoulos, T. Alfonsi, A. Alhroob, M. Ali, B. Alimonti, G. Alison, J. Alkire, S. P. Allaire, C. Allbrooke, B. M. M. Allen, B. W. Allport, P. P. Aloisio, A. Alonso, A. Alonso, F. Alpigiani, C. Alshehri, A. A. Alvarez Estevez, M. Álvarez Piqueras, D. Alviggi, M. G. Amaral Coutinho, Y. Ambler, A. Ambroz, L. Amelung, C. Amidei, D. Amor Dos Santos, S. P. Amoroso, S. Amrouche, C. S. An, F. Anastopoulos, C. Andari, N. Andeen, T. Anders, C. F. Anders, J. K. Andreazza, A. Andrei, V. Anelli, C. R. Angelidakis, S. Angerami, A. Anisenkov, A. V. Annovi, A. Antel, C. Anthony, M. T. Antonelli, M. Antrim, D. J. A. Anulli, F. Aoki, M. Aparisi Pozo, J. A. Aperio Bella, L. Arabidze, G. Araque, J. P. Araujo Ferraz, V. Araujo Pereira, R. Arcangeletti, C. Arce, A. T. H. Arduh, F. A. Arguin, J-F. Argyropoulos, S. Arling, J.-H. Armbruster, A. J. Armitage, L. J. Armstrong, A. Arnaez, O. Arnold, H. Artamonov, A. Artoni, G. Artz, S. Asai, S. Asbah, N. Asimakopoulou, E. M. Asquith, L. Assamagan, K. Astalos, R. Atkin, R. J. Atkinson, M. Atlay, N. B. Atmani, H. Augsten, K. Avolio, G. Avramidou, R. Ayoub, M. K. Azoulay, A. M. Azuelos, G. Baca, M. J. Bachacou, H. Bachas, K. Backes, M. Backman, F. Bagnaia, P. Bahmani, M. Bahrasemani, H. Bailey, A. J. Bailey, V. R. Baines, J. T. Bajic, M. Bakalis, C. Baker, O. K. Bakker, P. J. Bakshi Gupta, D. Balaji, S. Baldin, E. M. Balek, P. Balli, F. CPPM Aix-Marseille Université CNRS/IN2P3 Marseille France Homer L. Dodge Department of Physics and Astronomy University of Oklahoma Norman United States of America Department of Physics University of Massachusetts Amherst United States of America Institute of Physics Azerbaijan Academy of Sciences Baku Azerbaijan INFN Sezione di Pavia Pavia Italy Dipartimento di Fisica Università di Pavia Pavia Italy II. Physikalisches Institut Georg-August-Universität Göttingen Göttingen Germany Department of Physics Royal Holloway University of London Egham United Kingdom Department of Physics University of Toronto Toronto Canada Niels Bohr Institute University of Copenhagen Copenhagen Denmark Department of Physics and Astronomy University of Sussex Brighton United Kingdom Raymond and Beverly Sackler School of Physics and Astronomy Tel Aviv University Tel Aviv Israel Department of Physics Technion Israel Institute of Technology Haifa Israel High Energy Physics Division Argonne National Laboratory Argonne United States of America INFN Gruppo Collegato di Udine Sezione di Trieste Udine Italy ICTP Trieste Italy Department of Physics King’s College London London United Kingdom International Center for Elementary Particle Physics and Department of Physics University of Tokyo Tokyo Japan Institut für Physik Universität Mainz Mainz Germany LAL Université Paris-Sud CNRS/IN2P3 Université Paris-Saclay Orsay France AGH University of Science and Technology Faculty of Physics and Applied Computer Science Krakow Poland Department of Physics Northern Illinois University DeKalb United States of America Fakultät für Physik Ludwig-Maximilians-Universität München München Germany Department of Physics Bogazici University Istanbul Turkey Istanbul University Dept. of Physics Istanbul Turkey Département de Physique Nucléaire et Corpusculaire Université de Genève Genève Switzerland Particle Physics Department Rutherford Appleton Laboratory Didcot United Kingdom Santa Cr

A mistake was identified for the paper [1] in the treatment of the radion [2] cross-sections, which resulted in multiple changes.

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Axiomatic and operational connections between the l1-norm of coherence and negativity

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arXiv 2017年

作者： Zhu, Huangjun Hayashi, Masahito Chen, Lin Institute for Theoretical Physics University of Cologne Cologne50937 Germany Department of Physics and Center for Field Theory and Particle Physics Fudan University Shanghai200433 China Institute for Nanoelectronic Devices and Quantum Computing Fudan University Shanghai200433 China State Key Laboratory of Surface Physics Fudan University Shanghai200433 Collaborative Innovation Center of Advanced Microstructures Nanjing210093 Graduate School of Mathematics Nagoya University Nagoya464-8602 Japan Centre for Quantum Technologies National University of Singapore 3 Science Drive 2 Singapore117542 Singapore School of Mathematics and Systems Science Beihang University Beijing100191 International Research Institute for Multidisciplinary Science Beihang University Beijing100191

quantum coherence plays a central role in various research areas. The l1-norm of coherence is one of the most important coherence measures that are easily computable, but it is not easy to find a simple interpretation. We show that the l1-norm of coherence is uniquely characterized by a few simple axioms, which demonstrates in a precise sense that it is the analog of negativity in entanglement theory and sum negativity in the resource theory of magic-state quantum computation. We also provide an operational interpretation of the l1-norm of coherence as the maximum entanglement, measured by the negativity, produced by incoherent operations acting on the system and an incoherent ancilla. To achieve this goal, we clarify the relation between the l1-norm of coherence and negativity for all bipartite states, which leads to an interesting generalization of maximally correlated states. Surprisingly, all entangled states thus obtained are distillable. Moreover, their entanglement cost and distillable entanglement can be computed explicitly for a qubit-qudit system. Copyright © 2017, The Authors. All rights reserved.

关键词： quantum entanglement

Erratum to: Measurement of differential cross sections and W+/W− cross-section ratios for W boson production in association with jets at = 8 TeV with the ATLAS detector

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Journal of High Energy Physics 2020年第10期2020卷 1-20页

作者： Aaboud, M. Aad, G. Abbott, B. Abdinov, O. Abeloos, B. Abidi, S. H. AbouZeid, O. S. Abraham, N. L. Abramowicz, H. Abreu, H. Abreu, R. Abulaiti, Y. Acharya, B. S. Adachi, S. Adamczyk, L. Adelman, J. Adersberger, M. Adye, T. Affolder, A. A. Afik, Y. Agheorghiesei, C. Aguilar-Saavedra, J. A. Ahlen, S. P. Ahmadov, F. Aielli, G. Akatsuka, S. Akerstedt, H. Åkesson, T. P. A. Akilli, E. Akimov, A. V. Alberghi, G. L. Albert, J. Albicocco, P. Alconada Verzini, M. J. Alderweireldt, S. C. Aleksa, M. Aleksandrov, I. N. Alexa, C. Alexander, G. Alexopoulos, T. Alhroob, M. Ali, B. Aliev, M. Alimonti, G. Alison, J. Alkire, S. P. Allbrooke, B. M. M. Allen, B. W. Allport, P. P. Aloisio, A. Alonso, A. Alonso, F. Alpigiani, C. Alshehri, A. A. Alstaty, M. I. Alvarez Gonzalez, B. Álvarez Piqueras, D. Alviggi, M. G. Amadio, B. T. Amaral Coutinho, Y. Amelung, C. Amidei, D. Amor Dos Santos, S. P. Amoroso, S. Anastopoulos, C. Ancu, L. S. Andari, N. Andeen, T. Anders, C. F. Anders, J. K. Anderson, K. J. Andreazza, A. Andrei, V. Angelidakis, S. Angelozzi, I. Angerami, A. Anisenkov, A. V. Anjos, N. Annovi, A. Antel, C. Antonelli, M. Antonov, A. Antrim, D. J. Anulli, F. Aoki, M. Aperio Bella, L. Arabidze, G. Arai, Y. Araque, J. P. Araujo Ferraz, V. Arce, A. T. H. Ardell, R. E. Arduh, F. A. Arguin, J-F. Argyropoulos, S. Arik, M. Armbruster, A. J. Armitage, L. J. Arnaez, O. Arnold, H. Arratia, M. Arslan, O. Artamonov, A. Artoni, G. Artz, S. Asai, S. Asbah, N. Ashkenazi, A. Asquith, L. Assamagan, K. Astalos, R. Atkinson, M. Atlay, N. B. Augsten, K. Avolio, G. Axen, B. Ayoub, M. K. Azuelos, G. Baas, A. E. Baca, M. J. Bachacou, H. Bachas, K. Backes, M. Bagnaia, P. Bahmani, M. Bahrasemani, H. Baines, J. T. Bajic, M. Baker, O. K. Bakker, P. J. Baldin, E. M. Balek, P. Balli, F. Balunas, W. K. Banas, E. Bandyopadhyay, A. Banerjee, Sw. Bannoura, A. A. E. Barak, L. Barberio, E. L. Barberis, D. Barbero, M. Barillari, T. Barisits, M-S Barkeloo, J. T. Barklow, T. Barlow, N. Barnes, S. L. Barnett, B. M. Barnett, R. M. Barnovska-Blenessy, Z. Baroncelli, A. Bar Faculté des Sciences Université Mohamed Premier and LPTPM Oujda Morocco CPPM Aix-Marseille Université and CNRS/IN2P3 Marseille France Homer L. Dodge Department of Physics and Astronomy University of Oklahoma Norman United States of America Institute of Physics Azerbaijan Academy of Sciences Baku Azerbaijan LAL Univ. Paris-Sud CNRS/IN2P3 Université Paris-Saclay Orsay France Department of Physics University of Toronto Toronto Canada Santa Cruz Institute for Particle Physics University of California Santa Cruz Santa Cruz United States of America Department of Physics and Astronomy University of Sussex Brighton United Kingdom Raymond and Beverly Sackler School of Physics and Astronomy Tel Aviv University Tel Aviv Israel Department of Physics Technion: Israel Institute of Technology Haifa Israel Center for High Energy Physics University of Oregon Eugene United States of America Department of Physics Stockholm University Stockholm Sweden The Oskar Klein Centre Stockholm Sweden INFN Gruppo Collegato di Udine Sezione di Trieste Udine Italy ICTP Trieste Italy Department of Physics King’s College London London United Kingdom International Center for Elementary Particle Physics and Department of Physics The University of Tokyo Tokyo Japan AGH University of Science and Technology Faculty of Physics and Applied Computer Science Krakow Poland Department of Physics Northern Illinois University DeKalb United States of America Fakultät für Physik Ludwig-Maximilians-Universität München München Germany Particle Physics Department Rutherford Appleton Laboratory Didcot United Kingdom Department of Physics Alexandru Ioan Cuza University of Iasi Iasi Romania Laboratório de Instrumentação e Física Experimental de Partículas — LIP Lisboa Portugal Departamento de Fisica Teorica y del Cosmos Universidad de Granada Granada Portugal Department of Physics Boston University Boston United States of America Joint Institute for Nuclear Research JINR Dubna Dubna Russia IN

Two additions impacting tables 3 and 4 in ref. [1] are presented in the following. No significant impact is found for other results or figures in ref. [1].

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Tight conditional lower bounds for counting perfect matchings on graphs of bounded treewidth, cliquewidth, and genus 16

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Tight conditional lower bounds for counting perfect matching...

Annual ACM-Society for Industrial and Applied Mathmatics Symposium on Discrete Algorithms

作者： Radu Curticapean Daniel Marx Simons Institute for the Theory of Computing Berkeley and Institute for Computer Science and Control Hungarian Academy of Sciences (MTA SZTAKI) Institute for Computer Science and Control Hungarian Academy of Sciences (MTA SZTAKI)

ISBN: (纸本)9781510819672

By now, we have a good understanding of how NP-hard problems become easier on graphs of bounded treewidth and bounded cliquewidth: for various problems, matching upper bounds and conditional lower bounds describe exactly how the running time has to depend on treewidth or cliquewidth. In particular, Fomin et al. (2009, 2010) have shown a significant difference between these two parameters: assuming the Exponential-Time Hypothesis (ETH), the optimal algorithms for problems such as MAX CUT and EDGE DOMINATING SET have running time 2~(O(t))n~(O(1)) when parameterized by treewidth, but nO(t) when parameterized by cliquewidth. In this paper, we show that a similar phenomenon occurs also for counting problems. Specifically, we prove that, assuming the counting version of the Strong Exponential-Time Hypothesis (#SETH), the problem of counting perfect matchings (1) has no (2 -ε)~kn~(O(1)) time algorithm for any ε > 0 on graphs of treewidth k (but it is known to be solvable in time 2~kn~(O(1)) if a tree decomposition of width k is given), and (2) has no O(n~((1 - ε)k)) time algorithm for any ε > 0 on graphs of cliquewidth k (but it can be solved in time O(n~(k+1)) if a k-expression is given). A celebrated result of Fisher, Kasteleyn, and Temperley from the 1960s shows that counting perfect matchings in planar graphs is polynomial-time solvable. This was later extended by Gallucio and Loebl (1999), Tesler (2000) and Regge and Zechina (2000) who gave 4~k ·n~(O(1)) time algorithms for graphs of genus k. We show that the dependence on the genus k has to be exponential: assuming #ETH, the counting version of ETH, there is no 2~(o(k)) · n~(O(1)) time algorithm for the problem on graphs of genus k.

关键词： Runtime Perfect Soluble Bounded genera Lower bound Nondeterministic polynomial-time hard

New one shot quantum protocols with application to communication complexity

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New one shot quantum protocols with application to communica...

作者： Anshu, Anurag Jain, Rahul Mukhopadhyay, Priyanka Shayeghi, Ala Yao, Penghui Centre for Quantum Technologies National University of Singapore Singapore117543 Singapore Centre for Quantum Technologies Department of Computer Science National University of Singapore Singapore117543 Singapore MajuLab CNRS-UNS-NUS-NTU International Joint Research Unit UMI 3654 Singapore Singapore Institute for Quantum Computing Combinatorics and Optimization Department University of Waterloo WaterlooONN2L 3G1 Canada Joint Center for Quantum Information and Computer Science University of Maryland College ParkMD20742-2420 United States

In this paper, we present the following quantum compression protocol ' P ' Let ρ ,σ be quantum states, such that mathrm S left ( ρ σ right ) stackrel mathrm def= mathrm Tr (ρ log ρ - ρ log σ ) , the relative entropy between ρ and σ , is finite. Alice gets to know the eigendecomposition of ρ . Bob gets to know the eigendecomposition of σ . Both Alice and Bob know mathrm S left ( ρ σ right ) and an error parameter varepsilon . Alice and Bob use shared entanglement and after communication of mathcal O(( mathrm S left ( ρ σ right )+1) 4 bits from Alice to Bob, Bob ends up with a quantum state tilde ρ , such that mathrm F(ρ , tilde ρ ) geq 1 - 5 varepsilon , where mathrm F(c) represents fidelity. This result can be considered as a non-commutative generalization of a result due to Braverman and Rao where they considered the special case when ρ and σ are classical probability distributions (or commute with each other) and use shared randomness instead of shared entanglement. We use P to obtain an alternate proof of a direct-sum result for entanglement assisted quantum one-way communication complexity for all relations, which was first shown by Jain et al.. We also present a variant of protocol P in which Bob has some side information about the state with Alice. We show that in such a case, the amount of communication can be further reduced, based on the side information that Bob has. Our second result provides a quantum analog of the widely used classical correlated-sampling protocol. For example, Holenstein used the classical correlated-sampling protocol in his proof of a parallel-repetition theorem for two-player one-round games. © 1963-2012 IEEE.

关键词： Probability distributions

A language and hardware independent approach to quantum-classical computing

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arXiv 2017年

作者： McCaskey, A.J. Dumitrescu, E.F. Liakh, D. Chen, M. Feng, W. Humble, T.S. Quantum Computing Institute Oak Ridge National Laboratory Oak RidgeTN United States Computer Science and Mathematics Division Oak Ridge National Laboratory Oak RidgeTN37831 United States Computational Sciences and Engineering Division Oak Ridge National Laboratory Oak RidgeTN37831 United States Oak Ridge Leadership Computing Facility Scientific Computing Oak Ridge National Laboratory Oak RidgeTN United States Department of Physics Virginia Tech BlacksburgVA United States Department of Computer Science Virginia Tech BlacksburgVA United States Bredesen Center for Interdisciplinary Research University of Tennessee KnoxvilleTN United States

Heterogeneous high-performance computing (HPC) systems offer novel architectures which accelerate specific workloads through judicious use of specialized coprocessors. A promising architectural approach for future scientific computations is provided by heterogeneous HPC systems integrating quantum processing units (QPUs). To this end, we present XACC (eXtreme-scale ACCelerator) - a programming model and software framework that enables quantum acceleration within standard or HPC software workflows. XACC follows a coprocessor machine model that is independent of the underlying quantum computing hardware, thereby enabling quantum programs to be defined and executed on a variety of QPUs types through a unified application programming interface. Moreover, XACC defines a polymorphic low-level intermediate representation, and an extensible compiler frontend that enables language independent quantum programming, thus promoting integration and interoperability across the quantum programming landscape. In this work we define the software architecture enabling our hardware and language independent approach, and demonstrate its usefulness across a range of quantum computing models through illustrative examples involving the compilation and execution of gate and annealing-based quantum programs. Copyright © 2017, The Authors. All rights reserved.

关键词： quantum computers

Universally fisher-symmetric informationally complete measurements

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arXiv 2017年

作者： Zhu, Huangjun Hayashi, Masahito Institute for Theoretical Physics University of Cologne Cologne50937 Germany Department of Physics Center for Field Theory and Particle Physics Fudan University Shanghai200433 China Institute for Nanoelectronic Devices and Quantum Computing Fudan University Shanghai200433 China State Key Laboratory of Surface Physics Fudan University Shanghai200433 China Collaborative Innovation Center of Advanced Microstructures Nanjing210093 China Graduate School of Mathematics Nagoya University Nagoya464-8602 Japan Centre for Quantum Technologies National University of Singapore 3 Science Drive 2 Singapore117542 Singapore

A quantum measurement is Fisher symmetric if it provides uniform and maximal information on all parameters that characterize the quantum state of interest. Using (complex projective) 2- designs, we construct measurements on a pair of identically prepared quantum states that are Fisher symmetric for all pure states. Such measurements are optimal in achieving the minimal statistical error without adaptive measurements. We then determine all collective measurements on a pair that are Fisher symmetric for the completely mixed state and for all pure states simultaneously. For a qubit, these measurements are Fisher symmetric for all states. The minimal optimal measurements are tied to the elusive symmetric informationally complete measurements, which reflects a deep connection between local symmetry and global symmetry. In the study, we derive a fundamental constraint on the Fisher information matrix of any collective measurement on a pair, which offers a useful tool for characterizing the tomographic efficiency of collective measurements. Copyright © 2017, The Authors. All rights reserved.

关键词： Fisher information matrix