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arXiv 2024年

作者： Grigas, Alex T. Liu, Zhuoyi Logan, Jack A. Shattuck, Mark D. O’Hern, Corey S. Graduate Program in Computational Biology and Bioinformatics Yale University New HavenCT06520 United States Integrated Graduate Program in Physical and Engineering Biology Yale University New HavenCT06520 United States Department of Mechanical Engineering and Materials Science Yale University New HavenCT06520 United States Benjamin Levich Institute and Physics Department The City College of New York New YorkNY10031 United States Department of Physics Yale University New HavenCT06520 United States Department of Applied Physics Yale University New HavenCT06520 United States

Proteins fold to a specific functional conformation with a densely packed hydrophobic core that controls their stability. We develop a geometric, yet all-atom model for proteins that explains the universal core packing fraction of φc = 0.55 found in experimental measurements. We show that as the hydrophobic interactions increase relative to the temperature, a novel jamming transition occurs when the core packing fraction exceeds φc. The model also recapitulates the global structure of proteins since it can accurately refold to native-like structures from partially unfolded states. © 2024, CC BY.

关键词： Proteins

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Measurement of Water Diffusion Coefficient in Cross-Linked Gelatins Using the Terahertz Time-Domain Spectroscopy Technique

Measurement of Water Diffusion Coefficient in Cross-Linked G...

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2024 Conference on Lasers and Electro-Optics, CLEO 2024

作者： Walden, D. Chakraborty, D. Cheng, J. Straksys, A. Stirke, A. Melo, W.C.M.A. Jukna, A. Komissarov, I. Sobolewski, Roman Department of Physics and Astronomy University of Rochester RochesterNY14627 United States Laboratory for Laser Energetics University of Rochester RochesterNY14623-1299 United States Materials Science Graduate Program University of Rochester RochesterNY14627 United States State Research Institute Center for Physical Sciences & Technology Vilnius Lithuania Department of Physics Vilnius Gediminas Technical University Vilnius Lithuania Department of Electrical and Computer Engineering University of Rochester RochesterNY14627 United States

A novel method has been developed to evaluate the water diffusion dynamics in gelatin-based gels, based on transient terahertz time-domain spectroscopy measurements. Such gels are widely used models for human skin. &#... 详细信息

ISBN: (纸本)9781957171395

关键词： Transient analysis

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FIP-GNN: Graph neural networks for scalable prediction of grain-level fatigue indicator parameters

arXiv

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arXiv 2024年

作者： Sim, Gyu-Jang Lee, Myoung-Gyu Latypov, Marat I. Department of Materials Science and Engineering & RIAM Seoul National University 1 Gwanak-ro Gwanak-gu Seoul08826 Korea Republic of Department of Materials Science and Engineering University of Arizona TucsonAZ85721 United States Graduate Interdisciplinary Program in Applied Mathematics University of Arizona TucsonAZ85721 United States

High-cycle fatigue is a critical performance metric of structural alloys for many applications. The high cost, time, and labor involved in experimental fatigue testing call for efficient and accurate computer models of fatigue life. We present FIP-GNN – a graph neural network for polycrystals that (i) predicts fatigue indicator parameters as grain-level inelastic responses to cyclic loading quantifying the local driving force for crack initiation and (ii) generalizes these predictions to large microstructure volume elements with grain populations well beyond those used in training. These advances can make significant contributions to statistically rigorous and computationally efficient modeling of high-cycle fatigue – a long-standing challenge in the field. © 2024, CC BY.

关键词： High-cycle fatigue

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Curriculum-Based Reinforcement Learning for an Effective Multi-Agent Path Planning Algorithm in Warehouse Scenarios

Curriculum-Based Reinforcement Learning for an Effective Mul...

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IEEE/IAS International Conference on Industry Applications (INDUSCON)

作者： Iure Rosa L. De Oliveira Kevin B. De Carvalho Alexandre S. Brandão Graduate Program in Computer Science Universidade Federal de Viçosa Viçosa Brazil Electrical Engineering Department Universidade Federal de Vicosa Viçosa Brazil

Multi-robot systems can provide substantial increase in efficiency and/or flexibility in different scenarios. Applications in various settings have been studied in the literature, such as disaster management, surveillance, object transportation as well as search-and-rescue. A particular case that can highly benefit from the employment of multiple agents is the logistics in a warehouse scenario. This work proposes an multi-agent Q-learning based algorithm with curriculum learning and transfer learning to perform the path planning process. With progressively more complex stages of training as well as knowledge transfer from one stage to another, the algorithm is capable of achieve high success rates. In order to validate the proposed method, simulations were done to compare it to other combinations of the used techniques, as well as using Q-learning only. Scalability tests were also performed. The proposed method achieved up to 94% success rate after training.

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Ant Colony Optimization based Medical Image Preservation and Segmentation 2

Ant Colony Optimization based Medical Image Preservation and...

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2nd IEEE International Conference on Advanced Technologies in Intelligent Control, Environment, Computing and Communication engineering, ICATIECE 2022

作者： Nandihal, Priya Pareek, Piyush Kumar De Albuquerque, Victor Hugo Costa Madhumala, R.B. Khanna, Ashish Sunil Kumar, V. Dayananda Sagar Academy of Technology and Management Dept of Computer Science and Design Bangalore India Graduate Program in Telecommunication Engineering Federal Institute of Education Science and Technology of Ceara Fortaleza Brazil Federal University of Ceara Department of Teleinformatics Engineering Brazil Maharaja Agrasen Institute of Technology GGSIPU CSE Dept India Nitte Meenakshi Institute of Technology Department of Artificial Intelligence & Machine Learning Bengaluru India

ISBN: (纸本)9781665493963

Image segmentation is an essential component in many different types of computer vision systems. Image segmentation is used in order to identify objects and boundaries within pictures. It is important to note that the success of recognition algorithms is heavily dependent on the quality of the picture segmentation, and there is yet no technique that can universally segment images. Boundary detection has a long history of being recognised as one of the most difficult challenges in the fields of image processing and pattern analysis, in particular, when it comes to applications in medical imaging. The clarity of the picture is being muddled by more information, which is the source of the problem's complexity. The creation of segmentation algorithms for medical pictures is an active field of study, and segmentation algorithms are meant to account for a variety of factors, including noise, intensity inhomogeneity, poor contrast between the lesion and the surrounding skin, and so on. There is currently no active contour model that combines the locally statistical property of being more noise-resistant, in which the intensities in the transformed domain have less overlapping in the statistics, and the locally image fitting property of extracting the local image information in order to be able to segment images with intensity inhomogeneity. This is because there is no such model. So the proposed work includes Ant colony optimization based double threshold segmentation in medical images. Performance of the proposed algorithm is more efficient, reliable and accurate than the existing algorithm. Performance parameters such as segmentation accuracy, error rate, and Dice co-efficient are used in order to conduct the evaluation of the proposed work. © 2022 IEEE.

关键词： Impulse noise

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Measurement of Water Diffusion Coefficient in Cross-Linked Gelatins Using the Terahertz Time-Domain Spectroscopy Technique

Measurement of Water Diffusion Coefficient in Cross-Linked G...

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CLEO: Applications and Technology in CLEO 2024, CLEO: A and T 2024 - Part of Conference on Lasers and Electro-Optics

关键词： Terahertz spectroscopy

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Glucose Sensing Utilizing Complex-Valued Neural Networks 23

Glucose Sensing Utilizing Complex-Valued Neural Networks

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4th International Conference on Computing, Networks and Internet of Things, CNIOT 2023

作者： Lv, Yiqi Meng, Xiang Luo, Yong Pei, Yan The Key Laboratory of Specialty Fiber Optics and Optical Access Networks Shanghai University China and Jt. International Research Laboratory of Specialty Fiber Optics and Advanced Communication Shanghai University Shanghai China Doctoral Program Grad. Sch. of Comp. Science and Engineering Graduate Department of Computer and Information Systems University of Aizu Aizuwakamatsu Japan Computer Science Division University of Aizu Aizuwakamatsu Japan

ISBN: (纸本)9798400700705

This paper proposes a Complex-Valued Neural Network (CVNN) for glucose sensing in milli-meter wave (mmWave). Based on the propagation characteristics of millimeter wave in glucose medium, we obtain the S21 parameter of glucose with the concentration range of 0-300mg/dL in the 60-80 GHz frequency band by High Frequency Structure Simulator (HFSS) simulations. Then we combine the sensing model with a neural network to detect and predict the glucose concentration relying on the learning ability of the neural network. In the prediction of the concentration of unknown samples, the absolute error between the predicted value and the true value is within 5mg/dL, which confirms the ability of the proposed CVNN model. © 2023 ACM.

关键词： Millimeter waves

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High-throughput calculations of antiferromagnets hosting anomalous transport phenomena

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Physical Review B 2024年第9期109卷 094435-094435页

作者： Takuya Nomoto Susumu Minami Yuki Yanagi Michi-To Suzuki Takashi Koretsune Ryotaro Arita Research Center for Advanced Science and Technology University of Tokyo Komaba 153-8904 Japan Department of Mechanical Engineering and Science Kyoto University Kyoto 615-8540 Japan Liberal Arts and Sciences Toyama Prefectural University Toyama 939-0398 Japan Center for Computational Materials Science Institute for Materials Research Tohoku University Sendai 980-8577 Japan Center for Spintronics Research Network Graduate School of Engineering Science Osaka University Toyonaka Osaka 560-8531 Japan Department of Physics Tohoku University Sendai 980-8578 Japan Center for Emergent Matter Science RIKEN Wako 351-0198 Japan

We develop a high-throughput computational scheme based on cluster multipole theory to identify new functional antiferromagnets (AFMs). This approach is applied to 228 magnetic compounds listed in the AtomWork-Adv database, known for their elevated Néel temperatures. We conduct systematic investigations of both stable and metastable magnetic configurations of these materials. Our findings reveal that 34 of these compounds exhibit AFM structures with zero propagation vectors and magnetic symmetries identical to conventional ferromagnets, rendering them potentially invaluable for spintronics applications. By cross-referencing our predictions with the existing MAGNDATA database and published literature, we verify the reliability of our findings for 26 out of 28 compounds with partially or fully elucidated magnetic structures in the experiments. These results not only affirm the reliability of our scheme but also point to its potential for broader applicability in the ongoing quest for the discovery of functional magnets.

关键词： First-principles calculations Magnetic texture Spintronics Antiferromagnets Noncollinear magnets

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A Constructive Heuristic for the Uniform Capacitated Vertex k-center Problem

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ACM Journal of Experimental Algorithmics 2023年第2期28卷 1-26页

作者： Cornejo-Acosta, José Alejandro García-Díaz, Jesús Pérez-Sansalvador, Julio César Ríos-Mercado, Roger Z. Pomares-Hernández, Saúl Eduardo Instituto Nacional de Astrofísica Óptica y Electrónica Computer Science Department Puebla72840 Mexico Tecnológico Nacional de México/ITS de Purísima Del Rincón Computer Engineering Department Guanajuato36425 Mexico Consejo Nacional de Humanidades Ciencias y Tecnologías Mexico City03940 Mexico Universidad Autónoma de Nuevo León Graduate Program in Systems Engineering San Nicolás de los GarzaNL 66455 Mexico LAAS-CNRS Université de Toulouse France INSA ToulouseF31400 France

The uniform capacitated vertex k-center problem is an -hard combinatorial optimization problem that models real situations where k centers can only attend a maximum number of customers, and the travel time or distance from the customers to their assigned center has to be minimized. This article introduces a polynomial-time constructive heuristic algorithm that exploits the relationship between this problem and the minimum capacitated dominating set problem. The proposed heuristic is based on the one-hop farthest-first heuristic that has proven effective for the uncapacitated version of the problem. We carried out different empirical evaluations of the proposed heuristic, including an analysis of the effect of a parallel implementation of the algorithm, which significantly improved the running time for relatively large instances. © 2023 Copyright held by the owner/author(s). Publication rights licensed to ACM.

关键词： Travel time

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Origin of nonlinear photocurrents in chiral multifold semimetal CoSi unveiled by terahertz emission spectroscopy

arXiv

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arXiv 2024年

作者： Chan, Yao-Jui Faizanuddin, Syed Mohammed Kalaivanan, Raju Raman, Sankar Lin, Hsin Kar, Uddipta Singh, Akhilesh Kr. Lee, Wei-Li Vankayala, Ranganayakulu K. Ou, Min-Nan Wen, Yu-Chieh Institute of Physics Academia Sinica Taipei11529 Taiwan Taiwan International Graduate Program Academia Sinica Taipei11529 Taiwan Department of Engineering and System Science National Tsing Hua University Hsinchu300044 Taiwan

Spectroscopic identification of distinct nonlinear photocurrents unveils quantum geometric properties of electron wavefunctions and the momentum-space topological structures. This is especially interesting, but still puzzling, for chiral topological semimetals with possibilities of hosting giant quantized circular photogalvanic effect. Here we report a comprehensive terahertz (THz) emission spectroscopic analysis of nonlinear photoconductivity of chiral multifold CoSi at 0.26 ~ 1 eV. We find a large linear shift conductivity (17 μA/V2), and confirm a giant injection conductivity (167 μA/V2) as a consequence of strongly interfered non-quantized contributions from the vicinity of multifold nodes with opposite chiralities. The bulk injection current excited by the pump field with a complex wavevector is shown to carry both longitudinal and transverse components. Symmetry analyses further unveil weak nonlocal photon drag effect in addition to the photogalvanic effect. This work not only highlights chiral transition metal monosilicides for mid-infrared photovoltaic applications via various nonlinear optical channels, but also consolidates the THz spectroscopy for quantitative photovoltaic research. Copyright © 2024, The Authors. All rights reserved.

关键词： Terahertz spectroscopy

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