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arXiv 2025年

作者： Sharma, Pallavi Urrea-Quintero, Jorge-Humberto Bogdan, Bogdan Ciotec, Adrian-Dumitru Vasilie, Laura Wessels, Henning Skull, Matteo Porsche Engineering Etzelstraße 1 Bietigheim-Bissingen74321 Germany Graduate Program Computational Sciences in Engineering Technische Universität Braunschweig Braunschweig Germany Fraunhofer Institute for Energy Economics and Energy System Technology Joseph-Beuys-Straße 8 Kassel34117 Germany Institute of Applied Mechanics Division Data-Driven Modeling of Mechanical Systems Technische Universität Braunschweig Pockelsstraße 3 Braunschweig38106 Germany

This work proposes variational autoencoders (VAEs) to predict a vehicle’s jerk from a given torque demand, addressing the limitations of sparse real-world datasets. Specifically, we implement unconditional and conditional VAEs to generate jerk signals that integrate features from different drivetrain scenarios. The VAEs are trained on experimental data collected from two variants of a fully electric SUV, which differ in maximum torque delivery and drivetrain configuration. New meaningful jerk signals are generated within an engineering context through the interpretation of the VAE’s latent space. A performance comparison with baseline physics-based and hybrid models confirms the effectiveness of the VAEs. We show that VAEs bypass the need for exhaustive manual system parametrization while maintaining physical plausibility by conditioning data generation on specific inputs. © 2025, CC BY.

关键词： Signal encoding

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Evaluation of the Mechanisms Acting on the Atlantic Meridional Overturning Circulation in CESM2 for the 1pctCO_(2) Experiment

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Journal of Atmospheric Science Research 2024年第1期7卷 40-58页

作者： Lívia Sancho Elisa Passos Marcio Cataldi Luiz Paulo de Freitas Assad Luiz Landau Laboratory of Computational Methods in Engineering Civil Engineering ProgramAlberto Luiz Coimbra Institute for Graduate Studies and Research in EngineeringFederal University of Rio de JaneiroRio de Janeiro21941-617Brazil Civil Engineering Program Alberto Luiz Coimbra Institute for Graduate Studies and Engineering ResearchFederal University of Rio de JaneiroRio de Janeiro21941-617Brazil Physical Oceanography Laboratory Department of Physical OceanographyFaculty of OceanographyRio de Janeiro State UniversityRio de Janeiro20559-900Brazil Climate System Monitoring and Modeling Laboratory Water Resources and Environmental EngineeringFluminense Federal University24020-140Brazil Regional Atmospheric Modeling Group(MAR) Physics of the EarthDepartment of PhysicsRegional Campus of International Excellence(CEIR)“Campus Mare Nostrum”University of MurciaMurcia30100Spain Department of Meteorology Institute of GeosciencesFederal University of Rio de JaneiroRio de Janeiro21941-617Brazil

The Atlantic Meridional Overturning Circulation(AMOC)is a crucial component of the Earth’s climate system due to its fundamental role in heat distribution,carbon and oxygen transport,and the *** climate components,such as the atmosphere and sea ice,influence the *** the physical mechanisms of those interactions is paramount to increasing knowledge about AMOC’s *** this study,the authors used outputs from the Community Earth System Model version 2 and observational data to investigate changes in theAMOC and the associated physical *** DECK experiments were evaluated:piControl and 1pctCO_(2),with an annual increase of 1%of atmospheric CO_(2).The analysis revealed a significant decrease in the AMOC,associated with changes in mixed layer depth and buoyancy in high latitudes of the North Atlantic,resulting in the shutdown of deep convection and potentially affecting the formation of North Atlantic Deep Water and Antarctic Bottom Water.A vital aspect observed in this study is the association between increased runoff and reduced water evaporation,giving rise to a positive feedback ***,the rates of freshwater spreading have intensified during this period,which could lead to an accelerated disruption of the AMOC beyond the projections of existing models.

关键词： AMOC Meridional cell Climate change Deep circulation CESM2 results CMIP6

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Index analysis: an approach to understand signal transduction with application to the EGFR signalling pathway

arXiv

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arXiv 2023年

作者： Knöchel, Jane Kloft, Charlotte Huisinga, Wilhelm Institute of Mathematics Universität Potsdam Germany and Graduate Research Training Program PharMetrX: Pharmacometrics & Computational Disease Modeling Freie Universität Berlin and Universität Potsdam Germany Department of Clinical Pharmacy and Biochemistry Institute of Pharmacy Freie Universität Berlin Germany Institute of Mathematics Universität Potsdam Karl-Liebknecht-Str. 24-25 Potsdam/Golm 14476 Germany

In systems biology and pharmacology, large-scale kinetic models are used to study the dynamic response of a system to a specific input or stimulus. While in many applications, a deeper understanding of the input-response behaviour is highly desirable, it is often hindered by the large number of molecular species and the complexity of the interactions. An approach that identifies key molecular species for a given input-response relationship and characterises dynamic properties of states is therefore highly desirable. We introduce the concept of index analysis;it is based on different time- and state-dependent quantities (indices) to identify important dynamic characteristics of molecular species. All indices are defined for a specific pair of input and response variables as well as for a specific magnitude of the input. In application to a large-scale kinetic model of the EGFR signalling cascade, we identified different phases of signal transduction, the peculiar role of Phosphatase3 during signal activation and Ras recycling during signal onset. In addition, we discuss the challenges and pitfalls of interpreting the relevance of molecular species based on knock-out simulation studies, and provide an alternative view on conflicting results on the importance of parallel EGFR downstream pathways. We envision that index analysis will be beneficial in comparing different model scenarios (e.g., healthy and diseased conditions), in designing more informed model reduction approaches, and in translating large-scale systems biology models from early to late phase in drug discovery and development. © 2023, CC BY-NC-SA.

关键词： Signal transduction

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An Evolutionary Analytic Center Classifier 9th

An Evolutionary Analytic Center Classifier

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9th Brazilian Conference on Intelligent Systems, BRACIS 2020

作者： Goulart, Renan Motta Villela, Saulo Moraes Borges, Carlos Cristiano Hasenclever Neto, Raul Fonseca Postgraduate Program in Computational Modeling Federal University of Juiz de Fora Juiz de ForaMinas Gerais Brazil Department of Computer Science Federal University of Juiz de Fora Juiz de ForaMinas Gerais Brazil

ISBN: (纸本)9783030613761

Classification is an essential task in the field of Machine Learning, where developing a classifier that minimizes errors on unknown data is one of its central problems. It is known that the analytic center is a good approximation of the center of mass of the version space that is consistent with the Bayes-optimal decision surface. Therefore, in this work, we propose an evolutionary algorithm, relying on the convexity properties of the version space, that evolves a population of perceptron classifiers in order to find a solution that approximates its analytic center. Hyperspherical coordinates are used to guarantee feasibility when generating new individuals and enabling exploration to be uniformly distributed through the search space. To evaluate the individuals we consider using a potential function that employs a logarithmic barrier penalty. Experiments were performed on real datasets, and the obtained results indicate concrete possibilities for applying the proposed algorithm for solving practical problems. © 2020, Springer Nature Switzerland AG.

关键词： Machine learning

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modeling texts with networks: comparing five approaches to sentence representation

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The European Physical Journal B 2024年第6期97卷 1-12页

作者： Oliveira, Davi Alves Pereira, Hernane Borges de Barros Department of Human Sciences Campus IV University of Bahia State (UNEB) Jacobina Brazil Programa de Pós-Graduação em Difusão do Conhecimento (PPGDC) Federal University of Bahia (UFBA) University of Bahia State (UNEB) Bahia Federal Institute of Education Science and Technology (IFBA) State University of Feira de Santana (UEFS) National Scientific Computing Laboratory (LNCC) SENAI CIMATEC University Center Salvador Brazil Department of Education Campus I University of Bahia State (UNEB) Salvador Brazil Computational Modeling Program SENAI CIMATEC University Center Salvador Brazil

Complex networks offer a powerful framework for modeling linguistic phenomena. This study compares five distinct methods for representing sentences as networks, each with unique edge definitions: (1) a lines approach, where edges represent token (e.g., word) adjacency; (2) a close-range co-occurrence approach, where edges are based on the probability of tokens co-occurring at distance one or two; (3) a cliques approach, where edges connect tokens co-occurring within the same sentence; (4) a dependency-based approach, where edges are defined by syntactic dependencies extracted by a parser; (5) an IF-trimmed-subgraphs approach, where edges are determined by the Incidence-Fidelity (IF) Index. While the first four approaches are well established in the literature, the last one is a novel proposal. We also examined the effects of limiting the vertices to lemmas (i.e., words with inflections removed) and to lexical lemmas (i.e., nouns, adjectives, verbs, and adverbs) as opposed to the unaltered words. Our results reveal that these approaches yield networks with varying average minimal path lengths and degrees, influencing the interpretation of results. While small-world behavior remains consistent across networks, scale-free behavior analysis is affected. Notably, excluding functional words significantly alters degree distributions. We suggest, in order of relevance and according to the resources available, the dependency-based, the close-range co-occurrence, and the lines approaches for cases in which syntactic relations are central, and the IF-trimmed-subgraphs and the cliques approaches for cases in which semantic relations are central. Representation of the sentence “we calculated two sets of adjusted values as follows” using five approaches - (1) the lines approach, (2) the close-range cooccurrence approach, (3) the cliques approach, (4) the dependency-based approach, and (5) the IF-trimmed-subgraphs approach - and three vertex definitions - (1) vertices representing

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An Island-Based Hybrid Evolutionary Algorithm for Caloric-Restricted Diets

Research Square

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Research Square 2021年

作者： Silva, João Gabriel R. Duarte, Grasiele R. Carvalho, Iago A. Goliatt, Leonardo Vieira, Vinicius F. Xavier, Carolina R. IFMT Brazil Computational Modeling Federal University of Juiz de Fora Brazil Civil Engineering Program COPPE Federal University of Rio de Janeiro Brazil Computer Science Program Federal University of Minas Gerais Brazil Computer Science Program Federal University of Sao Joao del Rei Brazil

The most popular and successful way to maintain a healthy body is to have a rich and balanced diet, combined with physical exercise. Since it was proposed the diet dilemma, several works in the literature suggested calculating a diet that respects an individual’s nutritional needs. In the Caloric-Restricted Diet Problem (CRDP), the goal is to find a reduced-calorie diet that meets an individual’s dietary needs aiming for weight loss. This paper proposes a Hybrid Island-Based Evolutionary Algorithm (IBHEA) that combines a Genetic Algorithm (GA) with a Differential Evolution (DE) communicating through a migration policy to solve the CRDP. computational experiments showed that IBHEA outperforms the non-distributed and non-hybrid implementations, generating a greater variety of diets with a small calorie count. © 2021, CC BY.

关键词： Nutrition

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Proposal for a global quality indicator for the municipal public health system – GQIMPHS

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Science Talks 2025年

作者： André Gomes Coimbra Otil C.D. dos Santos Angélica C.G. Santos João B. Mendes Marcos F.S.V. D'Angelo Matheus P. Libório Reginaldo M. Macedo Elisa Fusco Petr Ekel Postgraduate Program in Computational Modeling and Systems State University of Montes Claros – UNIMONTES Montes Claros Brazil State University of Montes Claros – UNIMONTES Brazil University of Florence Italy Pontifical Catholic University of Minas Gerais Brazil

The evaluation of composite indicators is essential for improving health systems. Data Envelopment Analysis (DEA) and the Benefit of the Doubt method are two approaches widely used in this context. Data Envelopment Analysis assesses the relative efficiency of production units, while the Benefit of the Doubt recognizes the uncertainty of composite indicators, allowing for more flexible analyses. Together, these approaches provide a comprehensive view, identifying areas for improvement in health systems and considering both efficiency and the complexity and uncertainties associated with composite indicators. Based on this, this work proposes a framework to generate a single indicator in the health system of 57 counties in the state of Minas Gerais with more than 30 thousand inhabitants, considering three dimensions: infrastructure, service and health status.

关键词： Data envelopment analysis (DEA) Benefit of the doubt Healthcare systems

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The Use of Bromeliads as Biomonitors of Air Quality: A Global Review

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International Journal of Forestry Research 2024年第1期2024卷 6677068-6677068页

作者： Benítez, Ángel Montaño, Luis Abas, Azlan Cabrera, Omar Torracchi-Carrasco, Esteban Environmental Management School Technical University of Loja Particular Biodiversity of Tropical Ecosystems BIETROP Research Group Department of Biological and Agricultural Sciences Technical University of Loja Particular Centre for Research in Development Social and Environment (SEEDS) Faculty of Social Sciences and Humanities Universiti Kebangsaan Malaysia Dentistry Program The Center for Research Innovation and Technology Transfer (CIITT) The Catholic University of Cuenca Laboratory of Computational Calculus Modeling and Data Analytics (C2MAD)

Air pollution is a global problem in urban and rural areas, mainly related to vehicular traffic and industrial activities. Bromeliads have been widely used globally for active and passive air quality monitoring. However, a systematic review to facilitate the access and analysis of this information is yet to be made available. The objective of this work was to systematically review the use of bromeliads in biomonitoring of the air quality from articles published between 1990 and 2023 to analyze the progress and impact of the research related to the type of monitoring, species used, pollutants measured, and sampling protocols. The search was carried out in global (Scopus, ISI Web of Science, ScienceDirect, and MDPI) and regional (SciELO and Redalyc) databases with a total of 60 scientific articles, where the neotropical region with 31 articles and the Nearctic region with 11 articles were the most influential regions. In addition, more than 90% of the research has been published in high-impact journals (quartile 1). Passive monitoring registered 25 articles compared to active monitoring with 23, with 23 species of the family Bromeliaceae, predominantly the genus Tillandsia. Tillandsia usneoides was the most common species used in active monitoring, while Tillandsia recurvata was used for passive monitoring. The measurement of heavy metals was the preferred technique (93% of the studies) for air quality monitoring, where Zn, Fe, Pb, Cr, and Mn and the nonessential elements K, Ca, and Na were the most measured. Results obtained by different research groups cannot be compared directly because different methodologies have been used, highlighting the importance of standardized techniques for future work. Thus, as a contribution in this direction, we propose a protocol to facilitate or standardize the selection of the proper methodology for developing air quality monitoring using bromeliads. © 2024 Ángel Benítez et al.

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Performance Evaluation of Two Load Balancing Algorithms for Hybrid Clusters 13th

Performance Evaluation of Two Load Balancing Algorithms for ...

引用

13th International Conference on High Performance Computing in computational Science, VECPAR 2018

作者： do Nascimento, Tiago Marques dos Santos, Rodrigo Weber Lobosco, Marcelo Graduate Program on Computational Modeling UFJF Campus Universitário Juiz de ForaMG36036-900 Brazil

ISBN: (纸本)9783030159955

The use of hybrid environments, composed by CPUs and accelerators, imposes new challenges to the programmer that wants to use all the processing power available on the hardware. Although standards such as OpenCL and OpenACC can help in the task of writing parallel code for hybrid platforms, some issues remain open. In particular, multiprocessors and accelerators are different architectures and for this reason present distinct performances. As a result, data parallel applications have to find a data division that distributes the same amount of work to all devices, i.e, they have to finish their work in approximately the same time. This work uses a simulator of the Human Immune System (HIS) to evaluate two load balancing algorithms, a static and a dynamic ones, that can be used for this purpose. The results have shown that the dynamic load balancing algorithm outperforms the static one by a factor of upÂ to 1.07. © 2019, Springer Nature Switzerland AG.

关键词： Clustering algorithms

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Ab initio phonon transport across grain boundaries in graphene using machine learning based on small dataset

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Physical Review Materials 2022年第4期6卷 044004-044004页

作者： Amirreza Hashemi Ruiqiang Guo Keivan Esfarjani Sangyeop Lee Computational Modeling and Simulation Program University of Pittsburgh Pittsburgh Pennsylvania 15261 USA Department of Mechanical Engineering and Materials Science University of Pittsburgh Pittsburgh Pennsylvania 15261 USA Department of Mechanical and Aerospace Engineering University of Virginia Charlottesville Virginia 22904 USA Department of Materials Science and Engineering University of Virginia Charlottesville Virginia 22904 USA Department of Physics University of Virginia Charlottesville Virginia 22904 USA Department of Physics and Astronomy University of Pittsburgh Pittsburgh Pennsylvania 15261 USA

Establishing the structure-property relationship for grain boundaries (GBs) is critical for developing next-generation functional materials but has been severely hampered due to its extremely large configurational space. Atomistic simulations with low computational cost and high predictive power are strongly desirable, but the conventional simulations using empirical interatomic potentials and density functional theory suffer from the lack of predictive power and high computational cost, respectively. A machine learning interatomic potential (MLIP) recently emerged but often requires extensive size of the training dataset, making it a less feasible approach. Here, we demonstrate that an MLIP trained with a rationally designed small training dataset can predict thermal transport across GBs in graphene with ab initio accuracy at an affordable computational cost. We employed a rational approach based on the structural unit model to find a small set of GBs that can represent the entire configurational space and thus can serve as a cost-effective training dataset for the MLIP. Only 5 GBs were found to be enough to represent the entire configurational space of graphene GBs. Using the atomistic Green's function approach and the MLIP, we revealed that the structure-thermal resistance relation in graphene does not follow the common understanding that large dislocation density causes larger thermal resistance. In fact, thermal resistance is nearly independent of dislocation density at room temperature and is higher when the dislocation density is small at sub-room temperature. We explain this intriguing behavior with the buckling near a GB causing a strong scattering of flexural phonon modes. In this paper, we show that a machine learning technique combined with conventional wisdom (e.g., structural unit model) can extend the recent success of ab initio thermal transport simulation, which has been mostly limited to single crystals, to complex yet practically important polycry

关键词： Phonons Graphene Landauer formula Machine learning

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