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Relativistic variational-quantum-eigensolver calculations of molecular electric dipole moments on quantum hardware

Physical Review A 2025年第2期111卷 022817-022817页

作者： Palak Chawla Shweta K. R. Swain Tushti Patel Renu Bala Disha Shetty Kenji Sugisaki Sudhindu Bikash Mandal Jordi Riu Centre for Quantum Engineering Research and Education TCG Crest Kolkata 700091 India Department of Physics Indian Institute of Technology Delhi New Delhi 110016 India Present address: Department of Physics and Materials Science University of Luxembourg L-1511 Luxembourg Luxembourg. Department of Physics IIT Tirupati Chindepalle Andhra Pradesh 517619 India Present address: Institute of Physics Faculty of Physics Astronomy and Informatics Nicolaus Copernicus University Grudziadzka 5 87-100 Toruń Poland. Graduate School of Science and Technology Keio University 7-1 Shinkawasaki Saiwai-ku Kawasaki Kanagawa 212-0032 Japan Quantum Computing Center Keio University 3-14-1 Hiyoshi Kohoku-ku Yokohama Kanagawa 223-8522 Japan Keio University Sustainable Quantum Artificial Intelligence Center (KSQAIC) Keio University 2-15-45 Mita Minato-ku Tokyo Japan Qilimanjaro Quantum Tech Carrer de Veneçuela 74 Sant Martí 08019 Barcelona Spain Universitat Politècnica de Catalunya Carrer de Jordi Girona 3 08034 Barcelona Spain

The quantum–classical hybrid variational quantum eigensolver (VQE) algorithm is among the most actively studied topics in atomic and molecular calculations on quantum computers, yet few studies address properties other than energies or account for relativistic effects. This work presents high-precision 18-qubit relativistic VQE simulations for calculating the permanent electric dipole moments (PDMs) of alkaline-earth metal monohydride molecules (BeH to RaH) on traditional computers, and 6- and 12-qubit PDM computations for SrH on IonQ quantum devices. To achieve high precision on current noisy intermediate-scale era quantum hardware, we apply various resource-reduction methods, including reinforcement learning-based and causal flow preserving ZX–calculus routines, along with error mitigation and postselection techniques. Our approach reduces the two-qubit gate count in our 12-qubit circuit by 99.71%, with only a 2.35% trade-off in precision for PDM when evaluated classically within a suitably chosen active space. On the current generation IonQ Forte-I hardware, the error in PDM is −1.17% relative to classical calculations and only 1.21% compared with the unoptimized circuit.

关键词： Qubits

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Wood classification of japanese fagaceae using partial sample area and convolutional neural networks1

Journal of the Korean Wood Science and Technology

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Journal of the Korean Wood science and Technology 2021年第5期49卷 491-503页

作者： Fathurahman, Taufik Gunawan, P.H. Prakasa, Esa Sugiyama, Junji School of Computing Telkom University Bandung Indonesia Computer Vision Research Group Research Center for Informatics Indonesian Institute of Sciences Bandung Indonesia Division of Forestry and Biomaterials Science Faculty Graduate School of Agriculture Kyoto University Kitashirakawa Oiwakecho Sakyo-ku Kyoto606-8502 Japan

Wood identification is regularly performed by observing the wood anatomy, such as colour, texture, fibre direction, and other characteristics. The manual process, however, could be time consuming, especially when identification work is required at high quantity. Considering this condition, a convolutional neural networks (CNN)-based program is applied to improve the image classification results. The research focuses on the algorithm accuracy and efficiency in dealing with the dataset limitations. For this, it is proposed to do the sample selection process or only take a small portion of the existing image. Still, it can be expected to represent the overall picture to maintain and improve the generalisation capabilities of the CNN method in the classification stages. The experiments yielded an incredible F1 score average up to 93.4% for medium sample area sizes (200 × 200 pixels) on each CNN architecture (VGG16, ResNet50, MobileNet, DenseNet121, and Xception based). Whereas DenseNet121-based architecture was found to be the best architecture in maintaining the generalisation of its model for each sample area size (100, 200, and 300 pixels). The experimental results showed that the proposed algorithm can be an accurate and reliable solution. © 2021, Korean Society of Wood science Technology. All rights reserved.

关键词： Image classification

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Medical Image Analysis Using Deep Learning and Distribution Pattern Matching Algorithm

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Computers, Materials & Continua 2022年第8期72卷 2175-2190页

作者： Mustafa Musa Jaber Salman Yussof Amer S.Elameer Leong Yeng Weng Sura Khalil Abd Anand Nayyar Institute of Informatics and Computing in Energy Universiti Tenaga NasionalMalaysia Department of Computer Science Dijlah University CollageBaghdad10021Iraq Biomedical Informatics College University of Information Technology and CommunicationsBaghdadIraq Faculty of Information Technology Duy Tan UniversityDa Nang550000Viet Nam Graduate School Duy Tan UniversityDa Nang550000Viet Nam Department of Computer Science Al-turath University CollegeBaghdadIraq

Artificial intelligence plays an essential role in the medical and health *** convolution networks offer valuable services and help create automated systems to perform medical image ***,convolution networks examine medical images effectively;such systems require high computational complexity when recognizing the same disease-affected ***,an optimized deep convolution network is utilized for analyzing disease-affected regions in this *** disease-relatedmedical images are selected and examined pixel by pixel;this analysis uses the gray wolf optimized deep learning *** method identifies affected pixels by the gray wolf hunting *** convolution network uses an automatic learning function that predicts the disease affected by previous imaging *** optimized algorithm-based selected regions are further examined using the distribution pattern-matching *** pattern-matching process recognizes the disease effectively,and the system’s efficiency is evaluated using theMATLAB implementation *** process ensures high accuracy of up to 99.02%to 99.37%and reduces computational complexity.

关键词： Artificial intelligence medical field gray wolf-optimized deep convolution networks distribution pattern-matching rule

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Measuring the quality of various version an object-oriented software utilizing CK metrics 1

Measuring the quality of various version an object-oriented ...

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1st International Conference on Information and Communications Technology, ICOIACT 2018

作者： Binanto, Iwan Warnars, Harco Leslie Hendric Spits Gaol, Ford Lumban Abdurachman, Edi Soewito, Benfano Informatics Department Faculty of Scence and Engineering Sanata Dharma University Yogyakarta55002 Indonesia Computer Science Department BINUS Graduate Program - Doctor Computer Science Bina Nusantara University Jakarta11480 Indonesia

ISBN: (纸本)9781538609545

There are many object-oriented software quality measurement techniques. One of them is CK metric. This paper utilizes CK metrics to measure qualities per version of an open source software namely Statcato. Measurements are done in each class, each version of the software. The measurement is used to analyze the quality of the software. This paper concludes that the quality of software has improved during its lifecycle, although its features increase. © 2018 IEEE.

关键词： Open source software

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A fuzzy inference system to determine the number of clones in the clonal selection algorithm

A fuzzy inference system to determine the number of clones i...

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2010 2nd World Congress on Nature and Biologically Inspired computing, NaBIC 2010

作者： Carraro, Luiz Antonio De Castro, Leandro Nunes De Ré, Angelita Maria Computer and Informatics Faculty Graduate Program in Electrical Engineering Mackenzie University São Paulo Brazil Computer Science Department State University of West-Center Parana Guarapuava Brazil

ISBN: (纸本)9781424473762

Artificial Immune Systems (AISs) are composed of techniques inspired by immunology. The clonal selection principle ensures the organism adaptation to fight invading antigens by an immune response activated by the binding of antigens and antibodies. As an immune response can be elicited even when the binding between an antigen and an antibody is not perfect, an approximate binding might suffice, and a Fuzzy Logic mechanism might be the most appropriate mechanism to control such process. This paper presents a novel hybrid model based on concepts of Immune and Fuzzy Systems with applications to pattern recognition problems. The preliminary results obtained here suggest the proposed model is a promising pattern recognition tool. © 2010 IEEE.

关键词： Fuzzy systems

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Determination of Giving 'Tips' Using Fuzzy Logic to Determine Restaurant Customer Service Satisfaction 3

Determination of Giving 'Tips' Using Fuzzy Logic to Determin...

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3rd International Conference on Computational science and Information Management, ICoCSIM 2019

作者： Priyanto, Dadang Zarlis, Muhammad Anggrawan, Anthony Graduate Program of Computer Science Department of Computer Science Faculty of Computer Science and Information Technology Universitas Sumatera Utara Medan Indonesia Department of Computer Science Faculty of Computer Science and Information Technology Universitas Sumatera Utara Medan Indonesia Informatics Engineering Universitas Bumigora Mataram Indonesia

Fuzzy logic can be used to represent obscurity based on terms such as high, old, hot, cold, and so on. Fuzzy logic can extend the range of truth values to all real numbers in intervals between 0 and 1. Numbers in this interval represent the possibility that the statement given is "true"or "wrong". The use of fuzzy logic can be used in everyday life, such as in the fields of medicine, engineering, agriculture, transportation, environmental science and also in economic and business applications. As in this study, it was used to calculate the ideal amount of 'tips' for restaurant waiters based on the service provided by restaurant waiters. The method used in this study is to use Mamdani fuzzy logic with the process of defuzzyfication using the Centroid of area (COA). The results of this study are that it can be determined the value crisp of giving tips to restaurant waiters is 45 thousand rupiah provided that the service provided for service = 7 (Excellent) and food service = 8 (Delicious).. © Published under licence by IOP Publishing Ltd.

关键词： Fuzzy logic

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Estimation Algorithms for MLE of Three-Mode GMANOVA Model with Kronecker Product Covariance Matrix 15th

Estimation Algorithms for MLE of Three-Mode GMANOVA Model ...

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15th International KES Conference on Intelligent Decision Technologies, KESIDT 2023

作者： Horikawa, Keito Nagai, Isamu Monden, Rei Yanagihara, Hirokazu Informatics and Data Science Program Graduate School of Advanced Science and Engineering Hiroshima University Hiroshima Higashi-Hiroshima739-8521 Japan Faculty of Liberal Arts and Science Chukyo University Aichi Nagoya466-8666 Japan Mathematics Program Graduate School of Advanced Science and Engineering Hiroshima University Hiroshima Higashi-Hiroshima739-8526 Japan

ISBN: (纸本)9789819929689

Currently, there are a lot of measurement data on different items collected over time. The GMANOVA model is appropriate for analyzing the trends in such data, in order to analyze some longitudinal data collected on different items simultaneously, we need to create separate GMANOVA models, but separate GMANOVA models cannot reveal the relationships between items. Also, if we try to apply one model to all of these data, the problem arises that there are too many parameters and the covariance structure is too large. Therefore, we propose an extended GMANOVA model and two estimation algorithms. The proposed model’s covariance matrix has a Kronecker structure. Therefore, because the estimator cannot be uniquely determined using the log-likelihood, we propose two parameter estimation algorithms. © 2023, The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd.

关键词： Covariance matrix

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Implications of the Usage of Three-Mode Principal Component Analysis with a Fixed Polynomial Basis 15th

Implications of the Usage of Three-Mode Principal Compone...

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15th International KES Conference on Intelligent Decision Technologies, KESIDT 2023

作者： Monden, Rei Nagai, Isamu Yanagihara, Hirokazu Informatics and Data Science Program Graduate School of Advanced Science and Engineering Hiroshima University Hiroshima Higashi-Hiroshima739-8521 Japan Faculty of Liberal Arts and Science Chukyo University Aichi Nagoya466-8666 Japan Mathematics Program Graduate School of Advanced Science and Engineering Hiroshima University Hiroshima Higashi-Hiroshima739-8526 Japan

ISBN: (纸本)9789819929689

When I subjects answer questions regarding J variables K times, the data can be stored in a three-mode data set of size I× J× K. Among the various component analysis approaches to summarize such data, Three-mode Principal Component Analysis (3MPCA) is often used. 3MPCA expresses a three-mode data set by means of A-, B-, and C-mode components and a core array, but this approach is not suitable for predicting data at unobserved time points. To handle this issue, the current study suggests a fixed orthonormal polynomial basis for the 3MPCA model. Briefly, we fix the C-mode component matrix with an orthonormal polynomial basis. More specifically, i) measurement time points, and ii) log transformation of the measurement time points were used as an orthonormal polynomial basis. The use of our proposed methods was demonstrated by applying them to a longitudinal data set collected from patients with depression. © 2023, The Author(s), under exclusive license to Springer Nature Singapore Pte Ltd.

关键词： Principal component analysis

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Stroke Lesion Detection Using Convolutional Neural Networks

Stroke Lesion Detection Using Convolutional Neural Networks

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2018 International Joint Conference on Neural Networks, IJCNN 2018

作者： Pereira, Danillo Roberto Filho, Pedro P. Rebouças De Rosa, Gustavo Henrique Papa, João Paulo De Albuquerque, Victor Hugo C. Department of Computing São Paulo State University Bauru SP Brazil Federal Institute of Education Science and Technology of Ceará CE Brazil Graduate Program in Applied Informatics University of Fortaleza Fortaleza CE Brazil

ISBN: (纸本)9781509060146

Stroke is an injury that affects the brain tissue, mainly caused by changes in the blood supply to a particular region of the brain. As consequence, some specific functions related to that affected region can be reduced, decreasing the quality of life of the patient. In this work, we deal with the problem of stroke detection in Computed Tomography (CT) images using Convolutional Neural Networks (CNN) optimized by Particle Swarm optimization (PSO). We considered two different kinds of strokes, ischemic and hemorrhagic, as well as making available a public dataset to foster the research related to stroke detection in the human brain. The dataset comprises three different types of images for each case, i.e., the original CT image, one with the segmented cranium and an additional one with the radiological density's map. The results evidenced that CNN's are suitable to deal with stroke detection, obtaining promising results. © 2018 IEEE.

关键词： Convolution

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An initial research on Halstead's technique for pattern similarity relationship study 1

An initial research on Halstead's technique for pattern simi...

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1st International Conference on Information and Communications Technology, ICOIACT 2018

作者： Denny Prabowo, Yulius Warnas, Harco Leslie Hendric Spits Gaol, Ford Lumban Abdurachman, Edi Soewito, Benfano Informatics Departement Faculty of Creative Industry Institut Teknologi Dan Bisnis Kalbis Jakarta Indonesia Computer Science Departement BINUS Graduate Program - Doctor Computer Science Bina Nusantara University Jakarta11480 Indonesia

ISBN: (纸本)9781538609545

Halstead Complexity Measures is a software metrics introducted by Maurice Howard Halstead in 1977. This metrics used to identify measurable properties of the code and relation between them. Several measures can be calculated with this method are program vocabulary, program length, volume, difficulty and effort. In learning process, the final result obtained by students should be linear with the results obtained each time the students doing their exercises. This study aims to see the pattern similarity relationship between coding that students do on each exercise in term of difficulty, programming effort and programming time with the final value that they obtained. The experiment was done by giving the students three sets of exercise questions which were derived from the final problem, then each set of exercise code done by each students measured using halstead method and compare with the final grade obtained by each student. © 2018 IEEE.

关键词： Students

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