Search results for: complex networks

Authors: T. Alghamdi, G. Alaghband

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In this paper we develop a model that couples Two Concurrent Convolution Neural Network with different filters (TC*CNN) for face recognition and compare its performance to an existing sequential CNN (base model). We also test and compare the quality and performance of the models on three datasets with various levels of complexity (easy, moderate, and difficult) and show that for the most complex datasets, edges will produce the most accurate and efficient results. We further show that in such cases while Support Vector Machine (SVM) models are fast, they do not produce accurate results.

Keywords: Convolution Neural Network, Edges, Face Recognition , Support Vector Machine.

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Authors: Brenden M. Shutt, Lubjana Beshaj, Paul L. Goethals, Ambrose Kam

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Communication security is of particular interest to military data networks. A relatively novel approach to network security is blockchain, a cryptographically secured distribution ledger with a decentralized consensus mechanism for data transaction processing. Recent advances in blockchain technology have proposed new techniques for both data validation and trust management, as well as different frameworks for managing dataflow. The purpose of this work is to test the feasibility of different blockchain architectures as applied to military command and control networks. Various architectures are tested through discrete-event simulation and the feasibility is determined based upon a blockchain design’s ability to maintain long-term stable performance at industry standards of throughput, network latency, and security. This work proposes a consortium blockchain architecture with a computationally inexpensive consensus mechanism, one that leverages a Proof-of-Identity (PoI) concept and a reputation management mechanism.

Keywords: blockchain, consensus mechanism, discrete-event simulation, fog computing

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Authors: Abdelazziz Aouiche, El Moundher Aouiche, Mouhamed Salah Soudani

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Renewable energy sources now significantly contribute to the replacement of traditional fossil fuel energy sources. One of the most potent types of renewable energy that has developed quickly in recent years is photovoltaic energy. We all know that solar energy, which is sustainable and non-depleting, is the best knowledge form of energy that we have at our disposal. Due to changing weather conditions, the primary drawback of conventional solar PV cells is their inability to track their maximum power point. In this study, we apply artificial neural networks (ANN) to automatically track and measure the maximum power point (MPP) of solar panels. In MATLAB, the complete system is simulated, and the results are adjusted for the external environment. The results are better performance than traditional MPPT methods and the results demonstrate the advantages of using neural networks in solar PV systems.

Keywords: modeling, photovoltaic panel, artificial neural networks, maximum power point tracking

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Authors: Akshay S. Dalvi, Hazim El-Mounayri

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The internal and the external interactions between the complex structural and behavioral characteristics of the complex energy system result in unpredictable emergent behaviors. These emergent behaviors are not well understood, especially when modeled using the traditional top-down systems engineering approach. The intrinsic nature of current complex energy systems has called for an elegant solution that provides an integrated framework in Model-Based Systems Engineering (MBSE). This paper mainly presents a MBSE driven approach to define and handle the complexity that arises due to emergent behaviors. The approach provides guidelines for developing system architecture that leverages in predicting the complexity index of the system at different levels of abstraction. A framework that integrates indefinite and definite modeling aspects is developed to determine the complexity that arises during the development phase of the system. This framework provides a workflow for modeling complex systems using Systems Modeling Language (SysML) that captures the system’s requirements, behavior, structure, and analytical aspects at both problem definition and solution levels. A system architecture for a district cooling plant is presented, which demonstrates the ability to predict the complexity index. The result suggests that complex energy systems like district cooling plant can be defined in an elegant manner using the unconventional modified MBSE driven approach that helps in estimating development time and cost.

Keywords: district cooling plant, energy systems, framework, MBSE

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Authors: A. A. Behroozpoor, M. M. Mazarei

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In this paper, a fuzzy recurrent neural network is proposed for solving the classical quadratic control problem subject to linear equality and bound constraints. The convergence of the state variables of the proposed neural network to achieve solution optimality is guaranteed.

Keywords: REFERENCES [1] Xia, Y, A new neural network for solving linear and quadratic programming problems. IEEE Transactions on Neural Networks, 7(6), 1996, pp.1544–1548. [2] Xia, Y., & Wang, J, A recurrent neural network for solving nonlinear convex programs subject to linear constraints. IEEE Transactions on Neural Networks, 16(2), 2005, pp. 379–386. [3] Xia, Y., H, Leung, & J, Wang, A projection neural network and its application to constrained optimization problems. IEEE Transactions Circuits and Systems-I, 49(4), 2002, pp.447–458.B. [4] Q. Liu, Z. Guo, J. Wang, A one-layer recurrent neural network for constrained seudoconvex optimization and its application for dynamic portfolio optimization. Neural Networks, 26, 2012, pp. 99-109.

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Authors: S. Burgalat, L. Teilhac, A. Brand, E. Chastel, M. Jumeline

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The paper presents actual benefits and drawbacks of a multidirectional autonomous hovercraft conceived with limited resources and designed for indoor exploration. Recent developments in the field have led to the apparition of very powerful automotive systems capable of very high calculation and exploration in complex unknown environments. They usually propose very complex algorithms, high precision/cost sensors and sometimes have heavy calculation consumption with complex data fusion. These systems are usually powerful but have a certain price, and the benefits may not be worth the cost, especially considering their hardware limitations and their power consumption. The present approach is to build a compromise between cost, power consumption and results preciseness.

Keywords: hovercraft, indoor exploration, autonomous, multidirectional, wireless control

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Authors: Bakur Gulua

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In this work, we consider some boundary value problems for the plate. The plate is the elastic material with voids. The state of plate equilibrium is described by the system of differential equations that is derived from three-dimensional equations of equilibrium of an elastic material with voids (Cowin-Nunziato model) by Vekua's reduction method. Its general solution is represented by means of analytic functions of a complex variable and solutions of Helmholtz equations. The problem is solved analytically by the method of the theory of functions of a complex variable.

Keywords: the elastic material with voids, boundary value problems, Vekua's reduction method, a complex variable

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Authors: Saurabh Shukla, G. N. Pandey

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The fires have become the most serious disasters to forest resources and the human environment. In recent years, due to climate change, human activities and other factors the frequency of forest fires has increased considerably. The monitoring and prevention of forest fires have now become a global concern for forest fire prevention organizations. Currently, the methods for forest fire prevention largely consist of patrols, observation from watch towers. Thus, software like deployment of the wireless sensor network to prevent forest fire is being developed to get a better estimate of the temperature and humidity prospects. Now days, wireless sensor networks are beginning to be deployed at an accelerated pace. It is not unrealistic to expect that in coming years the world will be covered with wireless sensor networks. This new technology has lots of unlimited potentials and can be used for numerous application areas including environmental, medical, military, transportation, entertainment, crisis management, homeland defense, and smart spaces.

Keywords: deployment, sensors, wireless sensor networks, forest fires

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Authors: H. Yousefnia, S. Zolghadri

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The measurement of organ radiation exposure dose is one of the most important steps to be taken initially, for developing a new radiopharmaceutical. In this study, the dosimetric studies of a novel agent for SPECT-imaging of the bone metastasis, 111In-1,4,7,10-tetraazacyclododecane-1,4,7,10 tetraethylene phosphonic acid (111In-DOTMP) complex, have been carried out to estimate the dose in human organs based on the data derived from rats. The radiolabeled complex was prepared with high radiochemical purity in the optimal conditions. Biodistribution studies of the complex was investigated in the male Syrian rats at selected times after injection (2, 4, 24 and 48 h). The human absorbed dose estimation of the complex was made based on data derived from the rats by the radiation absorbed dose assessment resource (RADAR) method. 111In-DOTMP complex was prepared with high radiochemical purity of >99% (ITLC). Total body effective absorbed dose for 111In-DOTMP was 0.061 mSv/MBq. This value is comparable to the other 111In clinically used complexes. The results show that the dose with respect to the critical organs is satisfactory within the acceptable range for diagnostic nuclear medicine procedures. Generally, 111In-DOTMP has interesting characteristics and can be considered as a viable agent for SPECT-imaging of the bone metastasis in the near future.

Keywords: In-111, DOTMP, Internal Dosimetry, RADAR

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Authors: Ruvaitha Banu, Amaladhithyan Krishnamoorthy

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IoT networks today solve various consumer problems, from home automation systems to aiding in driving autonomous vehicles with the exploration of multiple devices. For example, in an autonomous vehicle environment, multiple sensors are available on roads to monitor weather and road conditions and interact with each other to aid the vehicle in reaching its destination safely and timely. IoT systems are predominantly dependent on the cloud environment for data storage, and computing needs that result in latency problems. With the advent of Fog networks, some of this storage and computing is pushed to the edge/fog nodes, saving the network bandwidth and reducing the latency proportionally. Managing the data stored in these fog nodes becomes crucial as it might also store sensitive information required for a certain application. Data management in fog nodes is strenuous because Fog networks are dynamic in terms of their availability and hardware capability. It becomes more challenging when the nodes in the network also live a short span, detaching and joining frequently. When an end-user or Fog Node wants to access, read, or write data stored in another Fog Node, then a new protocol becomes necessary to access/manage the data stored in the fog devices as a conventional static way of managing the data doesn’t work in Fog Networks. The proposed solution discusses a protocol that acts by defining sensitivity levels for the data being written and read. Additionally, a distinct data distribution and replication model among the Fog nodes is established to decentralize the access mechanism. In this paper, the proposed model implements stewardship towards the data stored in the Fog node using the application of Reinforcement Learning so that access to the data is determined dynamically based on the requests.

Keywords: IoT, fog networks, data stewardship, dynamic access policy

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Authors: Gizelle K. Vianna, Gustavo S. Oliveira, Gabriel V. Cunha

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The use of decision support systems in agriculture may help monitoring large fields of crops by automatically detecting the symptoms of foliage diseases. In our work, we designed and implemented a decision support system for small tomatoes producers. This work investigates ways to recognize the late blight disease from the analysis of digital images of tomatoes, using a pair of multilayer perceptron neural networks. The networks outputs are used to generate repainted tomato images in which the injuries on the plant are highlighted, and to calculate the damage level of each plant. Those levels are then used to construct a situation map of a farm where a cellular automata simulates the outbreak evolution over the fields. The simulator can test different pesticides actions, helping in the decision on when to start the spraying and in the analysis of losses and gains of each choice of action.

Keywords: artificial neural networks, cellular automata, decision support system, pattern recognition

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Authors: Elmabruk Laias, Abdalla M. Hanashi, Mohammed Alnas

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Worldwide Interoperability for Microwave Access (WiMAX) became one of the most challenging issues, since it was responsible for distributing available resources of the network among all users this leaded to the demand of constructing and designing high efficient scheduling algorithms in order to improve the network utilization, to increase the network throughput, and to minimize the end-to-end delay. In this study, the proposed algorithm focuses on an efficient mechanism to serve non-real time traffic in congested networks by considering channel status.

Keywords: WiMAX, Quality of Services (QoS), OPNE, Diff-Serv (DS).

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Authors: Demet Ozgur-Unluakin, Busenur Turkali, Ayse Karacaorenli

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Maintenance strategies can be classified into two types, which are reactive and proactive, with respect to the time of the failure and maintenance. If the maintenance activity is done after a breakdown, it is called reactive maintenance. On the other hand, proactive maintenance, which is further divided as preventive and predictive, focuses on maintaining components before a failure occurs to prevent expensive halts. Recently, the number of interacting components in a system has increased rapidly and therefore, the structure of the systems have become more complex. This situation has made it difficult to provide the right maintenance decisions. Herewith, determining effective decisions has played a significant role. In multi-component systems, many methodologies and strategies can be applied when a component or a system has already broken down or when it is desired to identify and avoid proactively defects that could lead to future failure. This study focuses on the comparison of various maintenance strategies on a multi-component dynamic system. Components in the system are hidden, although there exists partial observability to the decision maker and they deteriorate in time. Several predefined policies under corrective, preventive and predictive maintenance strategies are considered to minimize the total maintenance cost in a planning horizon. The policies are simulated via Dynamic Bayesian Networks on a multi-component system with different policy parameters and cost scenarios, and their performances are evaluated. Results show that when the difference between the corrective and proactive maintenance cost is low, none of the proactive maintenance policies is significantly better than the corrective maintenance. However, when the difference is increased, at least one policy parameter for each proactive maintenance strategy gives significantly lower cost than the corrective maintenance.

Keywords: decision making, dynamic Bayesian networks, maintenance, multi-component systems, reliability

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Authors: Qiaoyun Yang

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Organizational scholars have paid enormous attention on how local governments manage their knowledge during the past two decades. Government knowledge management (KM) research recognizes that the management of knowledge flows and networks is critical to reforms on government service efficiency and the effect of administration. When dealing with complex affairs, all the limitations resulting from a lack of KM concept, processes and technologies among all the involved organizations begin to be exposed and further compound the processing difficulty of the affair. As a result, the challenges for individual or group knowledge sharing, knowledge digging and organizations’ collaboration in government's activities are diverse and immense. This analysis presents recent situation of government KM in China drawing from a total of more than 300 questionnaires and highlights important challenges that remain. The causes of the lapses in KM processes within and across the government agencies are discussed.

Keywords: KM processes, KM technologies, government, KM situation

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Authors: YingWei Tan, XueFeng Ding

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Attention-based voice activity detection models have gained significant attention in recent years due to their fast training speed and ability to capture a wide contextual range. The inclusion of multi-head style and position embedding in the attention architecture are crucial. Having multiple attention heads allows for differential focus on different parts of the sequence, while position embedding provides guidance for modeling dependencies between elements at various positions in the input sequence. In this work, we propose an approach by considering each head as a node, enabling the application of graph neural networks (GNN) to identify correlations among the different nodes. In addition, we adopt an implementation named rotary position embedding (RoPE), which encodes absolute positional information into the input sequence by a rotation matrix, and naturally incorporates explicit relative position information into a self-attention module. We evaluate the effectiveness of our method on a synthetic dataset, and the results demonstrate its superiority over the baseline CRNN in scenarios with low signal-to-noise ratio and noise, while also exhibiting robustness across different noise types. In summary, our proposed framework effectively combines the strengths of CNN and RNN (LSTM), and further enhances detection performance through the integration of graph neural networks and rotary position embedding.

Keywords: voice activity detection, CRNN, graph neural networks, rotary position embedding

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Authors: Ourn Vimoil, Kallaya Suntornvongsagul

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Cambodia is considered as one of the most disaster prone countries in South East Asia, and most of natural disasters are related to floods. Cambodia, a developing country, faces significant impacts from floods, such as environmental, social, and economic losses. Using data accessed from focus group discussions and field surveys with villagers in Ba Baong commune, prey Veng province, Cambodia, the research would like to examine roles of social networks in raising community’s coping capacity with floods. The findings indicate that social capital play crucial roles in three stages of floods, namely preparedness, response, and recovery to overcome the crisis. People shared their information and resources, and extent their assistances to one another in order to adapt to floods. The study contribute to policy makers, national and international agencies working on this issue to pay attention on social networks as one factors to accelerate flood coping capacity at community level.

Keywords: social network, community, coping capacity, flood, Cambodia

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Authors: Alberto Alcalá-Alvarez, Pablo Padilla-Longoria

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The present paper describes a framework for constructing mathematical networks encoding relevant musical information from a music score for structural analysis. These graphs englobe statistical information about music elements such as notes, chords, rhythms, intervals, etc., and the relations among them, and so become helpful in visualizing and understanding important stylistic features of a music fragment. In order to build such networks, musical data is parsed out of a digital symbolic music file. This data undergoes different analytical procedures from Graph Theory, such as measuring the centrality of nodes, community detection, and entropy calculation. The resulting networks reflect important structural characteristics of the fragment in question: predominant elements, connectivity between them, and complexity of the information contained in it. Music pieces in different styles are analyzed, and the results are contrasted with the traditional analysis outcome in order to show the consistency and potential utility of this method for music analysis.

Keywords: computational musicology, mathematical music modelling, music analysis, style classification

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Authors: Teles de Sales Bezerra, Saulo Aislan da Silva Eleuterio, José Anderson Rodrigues de Souza, Jeronimo Silva Rocha

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Propagation in radio frequency is a constant concern in the application of Wireless Sensor Networks (WSN), the behavior of an environment determines how good the quality of signal reception. The objective of this paper is to analyze the behavior of a WSN in an environment for agriculture where environmental variables are present and correlate the capture of values received signal strength (RSSI) with a propagation model.

Keywords: propagation, WSN, agriculture, quality

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Authors: Yosra M. Badiei, Evelyn Ortiz, Marisa Portenti, David Szalda

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Water-oxidation half-reaction is a critical reaction that can be driven by a sustainable energy source (e.g., solar or wind) and be coupled with a chemical fuel making reaction which stores the released electrons and protons from water (e.g., H₂ or methanol). The use of molecular water-oxidation catalysts (WOC) allow the rationale design of redox active metal centers and provides a better understanding of their structure-activity-relationship. Herein, the structure of a Ru(III) complex bearing a doubly deprotonated N,N'-bis(aryl)pyridine-2,6-dicarboxamide ligand which contains a water molecule in its primary coordination sphere was elucidated by single-crystal X-ray diffraction. Further spectroscopic experimental data and pH-dependent electrochemical studies reveal its water-oxidation reactivity. Emphasis on mechanistic details for O₂ formation of this complex will be addressed.

Keywords: water-oxidation, catalysis, ruthenium, artificial photosynthesis

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Authors: Efendi Zaenudin, Chien-Hung Huang, Ka-Lok Ng

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Essential genes play an important role in the survival of an organism. It has been shown that cancer-associated essential genes are genes necessary for cancer cell proliferation, where these genes are potential therapeutic targets. Also, it was demonstrated that mutations of the cancer-associated essential genes give rise to the resistance of immunotherapy for patients with tumors. In the present study, we focus on studying the biological effects of the essential genes from a network perspective. We hypothesize that one can analyze a biological molecular network by decomposing it into both three-node and four-node digraphs (subgraphs). These network subgraphs encode the regulatory interaction information among the network’s genetic elements. In this study, the frequency of occurrence of the subgraph-associated essential genes in a molecular network was quantified by using the statistical parameter, odds ratio. Biological effects of subgraph-associated essential genes are discussed. In summary, the subgraph approach provides a systematic method for analyzing molecular networks and it can capture useful biological information for biomedical research.

Keywords: biological molecular networks, essential genes, graph theory, network subgraphs

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Authors: Kiyoumars Roushangar, Saeid Sadaghian

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Although accurate sediment load prediction is very important in planning, designing, operating and maintenance of water resources structures, the transport mechanism is complex, and the deterministic transport models are based on simplifying assumptions often lead to large prediction errors. In this research, firstly, two intelligent ANN methods, Radial Basis and General Regression Neural Networks, are adopted to model of total sediment load transport into Madani Dam reservoir (north of Iran) using the measured data and then applicability of the sediment transport methods developed by Engelund and Hansen, Ackers and White, Yang, and Toffaleti for predicting of sediment load discharge are evaluated. Based on comparison of the results, it is found that the GRNN model gives better estimates than the sediment rating curve and mentioned classic methods.

Keywords: sediment transport, dam reservoir, RBF, GRNN, prediction

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Authors: Seyed Mahdi Jameii, Arash Nikdel, Seyed Mohsen Jameii

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Energy efficiency is an important issue in the field of Wireless Sensor Networks (WSNs). So, minimizing the energy consumption in this kind of networks should be an essential consideration. Sleep/wake scheduling mechanism is an efficient approach to handling this issue. In this paper, we propose a Genetic Algorithm-based Sleep-Wake up Area Coverage protocol called GA-SWAC. The proposed protocol puts the minimum of nodes in active mode and adjusts the sensing radius of each active node to decrease the energy consumption while maintaining the network’s coverage. The proposed protocol is simulated. The results demonstrate the efficiency of the proposed protocol in terms of coverage ratio, number of active nodes and energy consumption.

Keywords: wireless sensor networks, genetic algorithm, coverage, connectivity

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Authors: Sumit Banerjee, Chandan Kumar Chanda

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The paper presents allocation of active power losses and energy losses to consumers connected to radial distribution networks in a deregulated environment for loads of composite types. A detailed comparison among four algorithms, namely quadratic loss allocation, proportional loss allocation, pro rata loss allocation and exact loss allocation methods are presented. Quadratic and proportional loss allocations are based on identifying the active and reactive components of current in each branch and the losses are allocated to each consumer, pro rata loss allocation method is based on the load demand of each consumer and exact loss allocation method is based on the actual contribution of active power loss by each consumer. The effectiveness of the proposed comparison among four algorithms for composite load is demonstrated through an example.

Keywords: composite type, deregulation, loss allocation, radial distribution networks

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Authors: Chenlu Zhang, Wanni Zhang, Florian Schaule

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Indoor environment in office buildings directly affects comfort, productivity, health, and well-being of building occupants. Wireless environmental sensor networks have been deployed in many modern offices to monitor and control the indoor environments. However, indoor environmental variables are not strong enough predictors of comfort and productivity levels of every occupant due to personal differences, both physiologically and psychologically. This study proposes human-centric sensor networks that integrate wireless environmental sensors, body area network sensors and participatory sensing technologies to collect data from both environment and human and support building operations. The sensor networks have been tested in one small-size and one medium-size office rooms with 22 participants for five months. Indoor environmental data (e.g., air temperature and relative humidity), physiological data (e.g., skin temperature and Galvani skin response), and physiological responses (e.g., comfort and self-reported productivity levels) were obtained from each participant and his/her workplace. The data results show that: (1) participants have different physiological and physiological responses in the same environmental conditions; (2) physiological variables are more effective predictors of comfort and productivity levels than environmental variables. These results indicate that the human-centric sensor networks can support human-centric building control and improve comfort and productivity in offices.

Keywords: body area network, comfort and productivity, human-centric sensors, internet of things, participatory sensing

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Authors: Nay Myo Sandar

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With the growth of technologies and applications, a large amount of data has been producing at increasing rate from various resources such as social media networks, sensor devices, and other information serving devices. This large collection of massive, complex and exponential growth of dataset is called big data. The traditional database systems cannot store and process such data due to large and complexity. Consequently, cloud computing is a potential solution for data storage and processing since it can provide a pool of resources for servers and storage. However, moving large amount of data to and from is a challenging issue since it can encounter a high latency due to large data size. With respect to big data movement problem, this paper reviews the literature of previous works, discusses about research issues, finds out approaches for dealing with big data movement problem.

Keywords: Big Data, Cloud Computing, Big Data Movement, Network Techniques

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Authors: Ibrahim A. Aref, Tarek El-Mihoub, Khadiga Ben Musa

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This paper presents Carrier Sense Multiple Access (CSMA) communication model based on SoC design methodology. Such model can be used to support the modelling of the complex wireless communication systems, therefore use of such communication model is an important technique in the construction of high performance communication. SystemC has been chosen because it provides a homogeneous design flow for complex designs (i.e. SoC and IP based design). We use a swarm system to validate CSMA designed model and to show how advantages of incorporating communication early in the design process. The wireless communication created through the modeling of CSMA protocol that can be used to achieve communication between all the agents and to coordinate access to the shared medium (channel).

Keywords: systemC, modelling, simulation, CSMA

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Authors: Alamgir Naushad, Ghulam Abbas, Shehzad Ali Shah, Ziaul Haq Abbas

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Unlike conventional networks, it is particularly challenging to manage resources efficiently in Wireless Sensor Networks (WSNs) due to their inherent characteristics, such as dynamic network topology and limited bandwidth and battery power. To ensure energy efficiency, this paper presents a routing protocol for WSNs, namely, Enhanced Hybrid Multipath Routing (EHMR), which employs hierarchical clustering and proposes a next hop selection mechanism between nodes according to a maximum residual energy metric together with a minimum hop count. Load-balancing of data traffic over multiple paths is achieved for a better packet delivery ratio and low latency rate. Reliability is ensured in terms of higher data rate and lower end-to-end delay. EHMR also enhances the fast-failure recovery mechanism to recover a failed path. Simulation results demonstrate that EHMR achieves a higher packet delivery ratio, reduced energy consumption per-packet delivery, lower end-to-end latency, and reduced effect of data rate on packet delivery ratio when compared with eminent WSN routing protocols.

Keywords: energy efficiency, load-balancing, hierarchical clustering, multipath routing, wireless sensor networks

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Authors: H. Yousefnia, A. Golabi Dezfuli, S. Zolghadri, M. Hosntalab

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Peptide receptor radionuclide therapy is nowadays used for the treatment of various abnormalities with somatostatin receptors. In this study, 166Ho-DOTATOC was prepared and the best conditions for its radiolabeling was obtained. For this purpose, a certain of DOTATOC was added to a vial containing 166Ho. various experiments by varying ligand concentration, pH, temperature and time were performed to determine the best conditions. Radiochemical purity of the complex was assessed by instant thin layer chromatography method utilizing 0.9% NaCl as the mobile phase. 166Ho-DOTATOC was prepared with radiochemical purity of higher than 95% at the optimized condition (pH=4, temperature: 95° C, time:30 min). In 0.9% NaCl, free Ho cation was developed at Rf of 0.8 while the complex was remained at the front of the paper.

Keywords: Ho-166, neuroendocrine, octreotide, quality control

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Authors: Pranav Gunhal., Krish Jhurani

Abstract:

This study tackles the significant computational challenge of predicting excited state dynamics in organic photovoltaic (OPV) materials—a pivotal factor in the performance of solar energy solutions. Time-dependent density functional theory (TDDFT), though effective, is computationally prohibitive for larger and more complex molecules. As a solution, the research explores the application of transformer neural networks, a type of artificial intelligence (AI) model known for its superior performance in natural language processing, to predict excited state dynamics in OPV materials. The methodology involves a two-fold process. First, the transformer model is trained on an extensive dataset comprising over 10,000 TDDFT calculations of excited state dynamics from a diverse set of OPV materials. Each training example includes a molecular structure and the corresponding TDDFT-calculated excited state lifetimes and key electronic transitions. Second, the trained model is tested on a separate set of molecules, and its predictions are rigorously compared to independent TDDFT calculations. The results indicate a remarkable degree of predictive accuracy. Specifically, for a test set of 1,000 OPV materials, the transformer model predicted excited state lifetimes with a mean absolute error of 0.15 picoseconds, a negligible deviation from TDDFT-calculated values. The model also correctly identified key electronic transitions contributing to the excited state dynamics in 92% of the test cases, signifying a substantial concordance with the results obtained via conventional quantum chemistry calculations. The practical integration of the transformer model with existing quantum chemistry software was also realized, demonstrating its potential as a powerful tool in the arsenal of materials scientists and chemists. The implementation of this AI model is estimated to reduce the computational cost of predicting excited state dynamics by two orders of magnitude compared to conventional TDDFT calculations. The successful utilization of transformer neural networks to accurately predict excited state dynamics provides an efficient computational pathway for the accelerated discovery and design of new OPV materials, potentially catalyzing advancements in the realm of sustainable energy solutions.

Keywords: transformer neural networks, organic photovoltaic materials, excited state dynamics, time-dependent density functional theory, predictive modeling

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Authors: Alok Kumar Routa, Priya Ranjan Mohanty

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Complex seismic signatures are generated due to the complexity of the subsurface which is difficult to interpret. In the present study, an attempt has been made to model the complex subsurface using the Ray tracing modeling technique. Add to this, for the imaging of these geological features, Kirchhoff’s prestack depth migration is applied over the synthetic common shot gather dataset. It is found that the Kirchhoff’s migration technique in addition with the Ray tracing modeling concept has the flexibility towards the imaging of various complex geology which gives satisfactory results with proper delineation of the reflectors at their respective true depth position. The entire work has been carried out under the MATLAB environment.

Keywords: Kirchhoff's migration, Prestack depth migration, Ray tracing modelling, velocity model

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