Now showing 1 - 10 of 46
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    A hybrid simulated annealing and threshold accepting for satisfiability problems using dynamically cooling schemes
    (2007) ;
    Frausto-Solís, Juan
    For Satisfiability (SAT) Problem there is not a deterministic algorithm able to solve it in a polynomial time. Simulated Annealing (SA) and similar algorithms like Threshold Accepting (TA) are able to find very good solutions of SAT instances only if their control parameters are correctly tuned. Classical TA usually uses the same Markov chain length for each temperature cycle but they spend a lot of time. In this paper a method based on the neighborhood structure to get the Markov chain length in a dynamical way for each temperature cycle is proposed. Three cooling schemes are also presented in the paper. The experimentation presented in the paper shows that the proposed method is more efficient than the classical one.
      1  16
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    An efficient method to compare latencies in order to obtain the best route for SDN
    (2017)
    Elguea, Lorenzo M.
    ;
    Comparing two or more routes on Internet is difficult owing to the variability of the measurements resulting from the different routes or use conditions. With current tools such as SDN[1], it is important to determine with certainty which the best route between a user and an internet service. This will be achieved with fast measurements which do not affect the operation of the network. With trends such as IoT, the best routes can be identified based on latency and not just on the jumps between autonomous systems, fact that optimizes data traffic in a specific way whether it is IPv4 or IPv6. As time elapses, it becomes more important to have a perfect setting for the LAN, which means optimal DNS, LDAP Servers appropriate number, etc. Thats why we propose a precise method that contemplates every possible variation of data, thus making a comparison by means of the use of confidence limits.
    Scopus© Citations 6  1  12
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    A first-year design experience based on SAE Aero Design contest to support ABET learning outcomes and engineering vocation in freshmen student
    The a-k outcomes established by Accreditation Board for Engineering and Technology (ABET) for Engineering students in their self-assessment framework, should be reflected in the different subjects that taught to the students of the first two years of the various engineering programs. On the other hand, in those first semesters, the vocation of the students about the different Engineering is not very well defined. This experiment shows a proposal that links the results of ABET with an international student competition such as Society of Automotive Engineers (SAE) Aero Design, to reinforce and guide the new students in their future choice of specialization in the School of Engineering. We also show the relationship between the challenges and problems in the SAE Aero Design competition for new students and ABET's a-k outcomes. We show the results obtained with nineteen students over three years. It is important to mention that none of the students involved in this experiment comes from Aeronautical Engineering (or similar to it).
      1  31
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    Innovative Alignment-Based Method for Antiviral Peptide Prediction
    (2024)
    Daniela de Llano García
    ;
    ;
    Guillermin Agüero-Chapin
    ;
    Francesc J. Ferri
    ;
    Agostinho Antunes
    <jats:p>Antiviral peptides (AVPs) represent a promising strategy for addressing the global challenges of viral infections and their growing resistances to traditional drugs. Lab-based AVP discovery methods are resource-intensive, highlighting the need for efficient computational alternatives. In this study, we developed five non-trained but supervised multi-query similarity search models (MQSSMs) integrated into the StarPep toolbox. Rigorous testing and validation across diverse AVP datasets confirmed the models’ robustness and reliability. The top-performing model, M13+, demonstrated impressive results, with an accuracy of 0.969 and a Matthew’s correlation coefficient of 0.71. To assess their competitiveness, the top five models were benchmarked against 14 publicly available machine-learning and deep-learning AVP predictors. The MQSSMs outperformed these predictors, highlighting their efficiency in terms of resource demand and public accessibility. Another significant achievement of this study is the creation of the most comprehensive dataset of antiviral sequences to date. In general, these results suggest that MQSSMs are promissory tools to develop good alignment-based models that can be successfully applied in the screening of large datasets for new AVP discovery.</jats:p>
      9
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    Complex Networks Analyses of Antibiofilm Peptides: An Emerging Tool for Next-Generation Antimicrobials’ Discovery
    (MDPI, 2023)
    Agüero-Chapin, Guillermin
    ;
    Antunes, Agostinho
    ;
    Mora, José R.
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    Pérez, Noel
    ;
    Contreras-Torres, Ernesto
    Microbial biofilms cause several environmental and industrial issues, even affecting human health. Although they have long represented a threat due to their resistance to antibiotics, there are currently no approved antibiofilm agents for clinical treatments. The multi-functionality of antimicrobial peptides (AMPs), including their antibiofilm activity and their potential to target multiple microbes, has motivated the synthesis of AMPs and their relatives for developing antibiofilm agents for clinical purposes. Antibiofilm peptides (ABFPs) have been organized in databases that have allowed the building of prediction tools which have assisted in the discovery/design of new antibiofilm agents. However, the complex network approach has not yet been explored as an assistant tool for this aim. Herein, a kind of similarity network called the half-space proximal network (HSPN) is applied to represent/analyze the chemical space of ABFPs, aiming to identify privileged scaffolds for the development of next-generation antimicrobials that are able to target both planktonic and biofilm microbial forms. Such analyses also considered the metadata associated with the ABFPs, such as origin, other activities, targets, etc., in which the relationships were projected by multilayer networks called metadata networks (METNs). From the complex networks’ mining, a reduced but informative set of 66 ABFPs was extracted, representing the original antibiofilm space. This subset contained the most central to atypical ABFPs, some of them having the desired properties for developing next-generation antimicrobials. Therefore, this subset is advisable for assisting the search for/design of both new antibiofilms and antimicrobial agents. The provided ABFP motifs list, discovered within the HSPN communities, is also useful for the same purpose. © 2023 by the authors.
      5  7Scopus© Citations 13
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    New metrics to modify BGP routes based on SDN
    (2019)
    Elguea, Lorenzo M.
    ;
    Through Software Defined Network, routes obtained through Border Gateway Protocol can be modified to improve latency or select a shorter path. With the same tool that perform the above actions, you can modify routes, for example, to avoid autonomous systems in certain countries or some other policy that may help, for example, security. © 2019, Springer Science+Business Media, LLC, part of Springer Nature.
      2  13Scopus© Citations 2
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    New Particle Swarm Optimizer Algorithm with Chaotic Maps for Combinatorial Global Optimization Problems. An Application to the Deconvolution of Mössbauer Spectra
    (Springer, 2024-01-01) ; ;
    González Morfín, Juan
    In this chapter, we present a novel method for addressing global optimization problems inspired by evolutionary algorithms found in nature. We integrate the Comprehensive Learning Particle Swarm Optimization (CLPSO) algorithm with random value generation based on chaotic maps. The resulting algorithm is applied to the computationally complex task of deconvoluting Mossbauer spectra. We implement ten chaotic maps to generate random values and compare their performance with traditional random number generators. Through experiments, we demonstrate that the developed algorithm excels in exploring the search space and exhibits fast intensification in finding the global minimum. In addition, we perform a comprehensive review of existing solutions to the Mossbauer spectrum deconvolution problem, highlighting the scarce availability of developments in this area. We also present a user-friendly program designed with an intuitive interface to facilitate the deconvolution process by Spector Mossbauer. This program will be freely distributed without operational restrictions. Experimental validation is performed on Mossbauer spectra generated using the developed program and those obtained by experimental means, affirming the efficiency of the new algorithm conceived. ©Springer.
      17
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    A new swarm algorithm for global optimization of multimodal functions over multi-threading architecture hybridized with simulating annealing
    (2018) ;
    Murillo-Suarez, Alfonso
    This paper presents a new algorithm, PCLPSO, based on particle swarm optimization, which uses comprehensive learning particle swarm optimizer. Our algorithm executes C parallel CLPSO algorithms. We adopted as a criterion of completion a maximum value of evaluations of the objective function. During the execution of the CLPSO algorithms, when a certain evaluation value of the functions is reached, the best k are selected, and different initialization criteria are applied to continue the execution of the CLPSO algorithms: restarting the worst ones for the best solution or restores the worst ones to a random solution. For this restart, we use the Boltzmann criterion in a similar way as Simulating Annealing (SA) does. In this work, the experimental results obtained for the search of the minimum of 16 multimodal test functions such as Rosenbrock, Griewank, Rastrigin, Brannin, Schwefel, and others. Our algorithm proved to be more efficient than the traditional CLPSO in its experimental results, and the nonparametric Wilcoxon test confirmed this.
      1Scopus© Citations 10  13
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    Rethinking the applicability domain analysis in QSAR models
    (Springer, 2024)
    Mora, Jose R.
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    Marquez, Edgar A.
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    Pérez-Pérez, Noel
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    Contreras-Torres, Ernesto
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    Perez-Castillo, Yunierkis
    Notwithstanding the wide adoption of the OECD principles (or best practices) for QSAR modeling, disparities between in silico predictions and experimental results are frequent, suggesting that model predictions are often too optimistic. Of these OECD principles, the applicability domain (AD) estimation has been recognized in several reports in the literature to be one of the most challenging, implying that the actual reliability measures of model predictions are often unreliable. Applying tree-based error analysis workflows on 5 QSAR models reported in the literature and available in the QsarDB repository, i.e., androgen receptor bioactivity (agonists, antagonists, and binders, respectively) and membrane permeability (highest membrane permeability and the intrinsic permeability), we demonstrate that predictions erroneously tagged as reliable (AD prediction errors) overwhelmingly correspond to instances in subspaces (cohorts) with the highest prediction error rates, highlighting the inhomogeneity of the AD space. In this sense, we call for more stringent AD analysis guidelines which require the incorporation of model error analysis schemes, to provide critical insight on the reliability of underlying AD algorithms. Additionally, any selected AD method should be rigorously validated to demonstrate its suitability for the model space over which it is applied. These steps will ultimately contribute to more accurate estimations of the reliability of model predictions. Finally, error analysis may also be useful in “rational” model refinement in that data expansion efforts and model retraining are focused on cohorts with the highest error rates. © 2024 Springer Nature
    Scopus© Citations 3  1  11
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    Rain-Fall Optimization Algorithm with new parallel implementations
    (2018)
    Guerrero-Valadez, Juan Manuel
    ;
    Rainfall Optimization Algorithm (RFO) is a nature-inspired metaheuristic optimization algorithm. RFO mimics the movement of water drops generated during rainfall to optimize a function. The paper study new implementations for RFO to offer more reliable results. Moreover, it studies three restarting techniques that can be applied to the algorithm with multithreading. The different implementations for the RFO are benchmarked to test and verify the performance and accuracy of the solutions. The paper presents and compares the results using several multidimensional testing functions, as well as the visual behavior of the raindrops inside the benchmark functions. The results confirm that the movement of the artificial drops corresponds to the natural behavior of raindrops. The results also show the effectiveness of this behavior to minimize an optimization function and the advantages of parallel computing restarting techniques to improve the quality of the solutions.
    Scopus© Citations 1  2  9