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arXiv 2025年

作者： Zhang, Yue Appleton, Robert J. Lin, Kui McCarthy, Megan J. Paci, Jeffrey T. Sankaranarayanan, Subramanian K.R.S. Strachan, Alejandro Espinosa, Horacio D. Department of Mechanical Engineering Northwestern University EvanstonIL60208 United States School of Materials Engineering Purdue University West LafayetteIN47907 United States Department of Civil and Environmental Engineering The Hong Kong Polytechnic University 999077 Hong Kong Center for Computing Research Computational Multiscale Department Sandia National Laboratories AlbuquerqueNM87185 United States Department of Chemistry University of Victoria VictoriaBCV8W 3V6 Canada Center for Nanoscale Materials Argonne National Laboratory LemontIL60439 United States Theoretical and Applied Mechanics Program Northwestern University EvanstonIL60208 United States

Accurately predicting the non-equilibrium mechanical properties of two-dimensional (2D) materials is essential for understanding their deformation, thermo-mechanical properties, and failure mechanisms. In this study, we parameterize and evaluate two machine learning (ML) interatomic potentials, SNAP and Allegro, for modeling the non-equilibrium behavior of monolayer MoSe2. Using a density functional theory (DFT) derived dataset, we systematically compare their accuracy and transferability against the physics-based Tersoff force field. Our results show that SNAP and Allegro significantly outperform Tersoff, achieving near-DFT accuracy while maintaining computational efficiency. Allegro surpasses SNAP in both accuracy and efficiency due to its advanced neural network architecture. Both ML potentials demonstrate strong transferability, accurately predicting out-of-sample properties such as surface stability, inversion domain formation, and fracture toughness. Unlike Tersoff, SNAP and Allegro reliably model temperature-dependent edge stabilities and phase transformation pathways, aligning closely with DFT benchmarks. Notably, their fracture toughness predictions closely match experimental measurements, reinforcing their suitability for large-scale simulations of mechanical failure in 2D materials. This study establishes ML-based force fields as a powerful alternative to traditional potentials for modeling non-equilibrium mechanical properties in 2D materials. Copyright © 2025, The Authors. All rights reserved.

关键词： Fracture toughness

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On Cyclic Finite-State Approximation of Data-Driven Systems

arXiv

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arXiv 2019年

作者： Vides, Fredy Scientific Computing Innovation Center Department of Applied Mathematics Universidad Nacional Autónoma de Honduras UNAH Honduras Graduate Program in Structural Engineering Universidad Tecnológica Centroamericana UNITEC Honduras

In this document, some novel theoretical and computational techniques for constrained approximation of data-driven systems, are presented. The motivation for the development of these techniques came from structure-preserving matrix approximation problems that appear in the fields of system identification and model predictive control, for data-driven systems and processes. The research reported in this document is focused on finite-state approximation of data-driven systems. Some numerical implementations of the aforementioned techniques in the simulation and model predictive control of some generic data-driven systems, that are related to electrical signal transmission models, are outlined.93B28, 47N70 (primary) and 93C57, 93B40 (secondary) Copyright © 2019, The Authors. All rights reserved.

关键词： Singular value decomposition

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Quantum Walks–Based Adaptive Distribution Generation with Efficient CUDA-Q Acceleration

arXiv

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arXiv 2025年

作者： Chang, Yen Jui Wang, Wei-Ting Liu, Chen-Yu Wang, Yun-Yuan Chang, Ching-Ray Master Program in Intelligent Computing and Big Data Chung Yuan Christian University No. 200 Zhongbei Rd. Zhongli Dist Taoyuan City320314 Taiwan Quantum Information Center Chung Yuan Christian University No. 200 Zhongbei Rd. Zhongli Dist Taoyuan City320314 Taiwan Department of Physics National Taiwan University No. 1 Sec. 4 Roosevelt Rd. Taipei106319 Taiwan Graduate Institute of Applied Physics National Taiwan University No. 1 Sec. 4 Roosevelt Rd. Taipei106319 Taiwan NVIDIA AI Technology Center NVIDIA Corp Taipei610101 Taiwan

We present a novel Adaptive Distribution Generator (ADG) that leverages a quantum walks–based approach to generate high precision and efficiency of target probability distributions. Our method integrates variational quantum circuits with discrete-time quantum walks(DTQWs)—specifically, split-step quantum walks(SSQWs) and their entangled extensions—to dynamically tune coin parameters and drive the evolution of quantum states towards desired distributions. This enables accurate one-dimensional probability modeling for applications such as financial simulation and structured two-dimensional pattern generation exemplified by digit representations (0–9). Implemented within the CUDA-Q framework, our approach exploits GPU acceleration to significantly reduce computational overhead and improve scalability relative to conventional methods. Extensive benchmarks demonstrate that our Quantum Walk–Based Adaptive Distribution Generator (QWs-based ADG) achieves high simulation fidelity and bridges the gap between theoretical quantum algorithms and practical high-performance computation. © 2025, CC BY.

关键词： Qubits

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Genetic programming Theory and Practice XX 1

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丛书名： Genetic and Evolutionary Computation

1000年

作者： Stephan Winkler Leonardo Trujillo Charles Ofria Ting Hu

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MLEA： A Solution for Users of Android in UTPVirtual

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Computer Technology and Application 2011年第5期2卷 406-412页

作者： Gisela Torres de Clunie Sergio Crespo Coelho da Silva Pinto Aris Linet Castillo Lucas Monteiro Braz Tasia Serrao Norman Rangel Jeanette Riley Olinda de Barraza Kexy Rodriguez Computer Systems Engineering Department Technological University of Panama Panama 0819 Panama Computer Science Research and Graduate Program in Applied Computing University of the Sinos Valley （UNISINOS） RS 93022-000 Brazil CIDITIC Technological University of Panama Panama 0819 Panama

This paper describes a design of an educational platform for a mobile learning architecture, which is a state of the an topic in distance education. The product will allow users to interact in an efficient, flexible, and transparent fashion with a web-based education environment, in this case Module Object-Oriented Dynamic Learning Environment （Moodle）, using Android mobile devices. In order to provide a strong and lasting architecture, the Service Oriented Architecture （SOA） methodology is used given that it allows easy software re-utilization as well as integration of heterogeneous services. The architecture is based on web services implemented with Representational State Transfer （REST）, as it has been demonstrated to be lighter and less consuming than other protocols, for devices with limited resources such as mobile devices. Web services provide the communication means between the server side and the client side of the architecture, whereas agents are used to deliver the services itself. The authors propose the development of an environment that facilitates the integration of various educational resources to support m-learning. An important aspect of the proposal is the offering of a tool to provide customized alerts for students and teachers, enabling them to remain updated about activities taking place in the courses.

关键词： Distance learning virtual education m-learning service oriented architecture （SOA） mobile learning mobile computing interoperability representational state transfer （REST）.

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Ubiquitous System for Stroke Monitoring and Alert

Ubiquitous System for Stroke Monitoring and Alert

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Annual IEEE Symposium on Computer-Based Medical Systems

作者： Allan Barcelos Sandro J. Rigo Jorge L.V. Barbosa Applied Computing Graduate Program University of Vale do Rio dos Sinos (UNISINOS) São Leopoldo Brazil Appl. Comput. Grad. Program Univ. of Vale do Rio dos Sinos (UNISINOS) Sao Leopoldo Brazil

Research regarding stroke indicates that short elapsed time between accident and treatment can be fundamental to allow saving patient's life and avoid future sequels. This paper describes a model for monitoring and rescue victims in situations of possible stroke occurrence. It uses stroke symptoms that can be monitored by mobile equipment, ambient intelligence and artificial neural networks. The model is independent from human operation and applications or third parties devices, therefore adding facilities to increase the quality of life for people with stroke sequel, due to constant monitoring and follow-up provided, allowing the stroke patient to consider a recovery period with greater autonomy. A prototype based on free software platforms was developed, in order to assess the accuracy and the time elapsed between the prototype to detect and to send an alert. The results indicate a positive outlook for the work continuity.

关键词： Monitoring Biomedical monitoring Artificial neural networks Prototypes Blood pressure Mobile communication Sensors

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Edge-Stress-Induced Warping of Graphene Sheets and Nanoribbons

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Physical Review Letters 2008年第24期101卷 245501-245501页

作者： V. B. Shenoy C. D. Reddy A. Ramasubramaniam Y. W. Zhang Division of Engineering Brown University Providence Rhode Island 02912 USA Institute of High Performance Computing Singapore 138632 Program in Applied and Computational Mathematics Princeton University Princeton New Jersey 08544 USA Department of Materials Science and Engineering National University of Singapore Singapore 119260

We show that edge stresses introduce intrinsic ripples in freestanding graphene sheets even in the absence of any thermal effects. Compressive edge stresses along zigzag and armchair edges of the sheet cause out-of-plane warping to attain several degenerate mode shapes. Based on elastic plate theory, we identify scaling laws for the amplitude and penetration depth of edge ripples as a function of wavelength. We also demonstrate that edge stresses can lead to twisting and scrolling of nanoribbons as seen in experiments. Our results underscore the importance of accounting for edge stresses in thermal theories and electronic structure calculations for freestanding graphene sheets.

关键词： Nanoribbons

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Double Noise Filtering in CT: Pre- and Post-Reconstruction

Double Noise Filtering in CT: Pre- and Post-Reconstruction

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Brazilian Symposium on Computer Graphics and Image Processing (SIBGRAPI)

作者： Vinicius C. Assis Denis H.P. Salvadeo Nelson D.A. Mascarenhas Alexandre L.M. Levada Department of Statistics Applied Mathematics and Computing State University of São Paulo Rio Claro SP Brazil Faculdade Campo Limpo Paulista Graduate Program in Computer Science SP Brazil Department of Computing Federal University of São Carlos São Carlos SP Brazil

Motivated by the ALARA (As Low As Reasonably Achievable) principle, this paper proposes to denoise Computed Tomography (CT) images by using a double-filtering approach. First, projection data were filtered using methods to filter Poisson noise (pre-filtering step). Then the filtered back projection (FBP) algorithm was applied to image reconstruction. After, the reconstructed images were denoised by using suitable methods for filtering Gaussian noise (post-filtering step). Finally, known metrics of image quality evaluation (such as SSIM and PSNR) were used to compare the filtered images with the ones considered ideal images in various combinations of filters. The results lead to the conclusion that a second filtering applied on image domain can improve the CT denoising quality from pre-filtering step. Thus, CT double-filtering strategy achieved a better balance between noise reduction and details preservation.

关键词： Noise Noise measurement Computed tomography Noise reduction Image reconstruction Correlation Standards

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EPC information services with No-SQL datastore for the Internet of Things

EPC information services with No-SQL datastore for the Inter...

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IEEE International Conference on RFID

作者： Tuan Dinh Le Seong Hoon Kim Minh Hoang Nguyen Daeyoung Kim Seung Young Shin Kyung Eun Lee Rodrigo da Rosa Righi Deparment of Computer Science KAIST Daejeon South Korea Samsung Electronics South Korea Graduate Program in Applied Computing Universidade do Vale do Rio dos Sinos São Leopoldo Brazil

With the emergence of the Internet of Things (IoT) vision, RFID technology has attracted more and more interests from many industries. In the EPCglobal standard which standardizes RFID architectural framework and interfaces, the Electronic Product Code Information System (EPCIS) - the repository in the RFID network - plays a pivotal role in storing dynamic and historical RFID trajectory data, well-tailored to supply chain applications. However, in the IoT era, EPCIS should be capable of storing a large amount of realtime and continuous time-series RFID data in a scalable manner. Therefore, in this paper, we analyze the requirements and current design of EPCIS and report current limitations of SQL-based approaches for IoT applications. To cope with these limitations, we explore a NoSQL-based approach for EPCIS in the IoT and propose a column-family-based data model and customization for Cassandra-based EPCIS. Using real-world implementation, we also conduct a performance comparison between MySQL and Cassandra in different deployment scenarios (i.e., physical and virtual machines). As a result, we show the benefits of using Cassandra datastore for EPCIS in the IoT in terms of response time, throughput, and flexibility.

关键词： Radiofrequency identification Data models Indexes Relational databases Standards Containers

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A parallel implementation of the LTSn method for a radiative transfer problem

A parallel implementation of the LTSn method for a radiative...

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International Symposium on Computer Architecture and High Performance computing (SBAC-PAD)

作者： R.P. Souto H.F. de Campos Velho S. Stephany A.J. Preto C.F. Segatto M.T. Vilhena Postgraduate Program Applied Computing (CAP/INPE) Sao Paulo Brazil PPGMAp PROMEC UFRGS Universidade Federal do Rio Grande do Sul Porto Alegre Rio Grande do Sul Brazil

A radiative transfer solver that implements the LTSn method was optimized and parallelized using the MPI message passing communication library. Timing and profiling information was obtained for the sequential code in order to identify performance bottlenecks. Performance tests were executed in a distributed memory parallel machine, a multicomputer based on IA-32 architecture. The radiative transfer equation was solved for a cloud test case to evaluate the parallel performance of the LTSn method. The LTSn code includes spatial discretization of the domain and Fourier decomposition of the radiances leading to independent azimuthal modes. This yields an independent radiative transfer equation for each mode that can be executed by a different processor in a parallel implementation. Speed-up results show that the parallel implementation is suitable for the used architecture.

关键词： Concurrent computing Message passing Testing Computer architecture Libraries Timing Parallel machines Laplace equations Matrix decomposition Communication standards

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