13,891 research outputs found

    Computing Motion Plans for Assembling Particles with Global Control

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    We investigate motion planning algorithms for the assembly of shapes in the \emph{tilt model} in which unit-square tiles move in a grid world under the influence of uniform external forces and self-assemble according to certain rules. We provide several heuristics and experimental evaluation of their success rate, solution length, runtime, and memory consumption.Comment: 20 pages, 12 figure

    Interpretable and explainable machine learning for ultrasonic defect sizing

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    Despite its popularity in literature, there are few examples of machine learning (ML) being used for industrial nondestructive evaluation (NDE) applications. A significant barrier is the ‘black box’ nature of most ML algorithms. This paper aims to improve the interpretability and explainability of ML for ultrasonic NDE by presenting a novel dimensionality reduction method: Gaussian feature approximation (GFA). GFA involves fitting a 2D elliptical Gaussian function an ultrasonic image and storing the seven parameters that describe each Gaussian. These seven parameters can then be used as inputs to data analysis methods such as the defect sizing neural network presented in this paper. GFA is applied to ultrasonic defect sizing for inline pipe inspection as an example application. This approach is compared to sizing with the same neural network, and two other dimensionality reduction methods (the parameters of 6 dB drop boxes and principal component analysis), as well as a convolutional neural network applied to raw ultrasonic images. Of the dimensionality reduction methods tested, GFA features produce the closest sizing accuracy to sizing from the raw images, with only a 23% increase in RMSE, despite a 96.5% reduction in the dimensionality of the input data. Implementing ML with GFA is implicitly more interpretable than doing so with principal component analysis or raw images as inputs, and gives significantly more sizing accuracy than 6 dB drop boxes. Shapley additive explanations (SHAP) are used to calculate how each feature contributes to the prediction of an individual defect’s length. Analysis of SHAP values demonstrates that the GFA-based neural network proposed displays many of the same relationships between defect indications and their predicted size as occur in traditional NDE sizing methods

    Simulating substrate binding sites in the S. aureus Type II NADH Dehydrogenase

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    "Type II NADH Oxidoreductase (NDH-2) from Staphylococcus aureus was established as a therapeutic target against the virulency of this bacterium and an alternative to treat Complex I-derived diseases. To accurately model interactions of NDH-2 with its substrates such as menaquinones and NADH, Coarse-Grain (CG) simulations were employed. "N/

    Interactive visualizations of unstructured oceanographic data

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    The newly founded company Oceanbox is creating a novel oceanographic forecasting system to provide oceanography as a service. These services use mathematical models that generate large hydrodynamic data sets as unstructured triangular grids with high-resolution model areas. Oceanbox makes the model results accessible in a web application. New visualizations are needed to accommodate land-masking and large data volumes. In this thesis, we propose using a k-d tree to spatially partition unstructured triangular grids to provide the look-up times needed for interactive visualizations. A k-d tree is implemented in F# called FsKDTree. This thesis also describes the implementation of dynamic tiling map layers to visualize current barbs, scalar fields, and particle streams. The current barb layer queries data from the data server with the help of the k-d tree and displays it in the browser. Scalar fields and particle streams are implemented using WebGL, which enables the rendering of triangular grids. Stream particle visualization effects are implemented as velocity advection computed on the GPU with textures. The new visualizations are used in Oceanbox's production systems, and spatial indexing has been integrated into Oceanbox's archive retrieval system. FsKDTree improves tree creation times by up to 4x over the C# equivalent and improves search times by up to 13x compared to the .NET C# implementation. Finally, the largest model areas can be viewed with current barbs, scalar fields, and particle stream visualizations at 60 FPS, even for the largest model areas provided by the service

    Atomistically-informed continuum modeling and isogeometric analysis of 2D materials over holey substrates

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    This work develops, discretizes, and validates a continuum model of a molybdenum disulfide (MoS2) monolayer interacting with a periodic holey silicon nitride (Si3N4) substrate via van der Waals (vdW) forces. The MoS2 layer is modeled as a geometrically nonlinear Kirchhoff–Love shell, and vdW forces are modeled by a Lennard-Jones (LJ) potential, simplified using approximations for a smooth substrate topography. Both the shell model and LJ interactions include novel extensions informed by close comparison with fully-atomistic calculations. The material parameters of the shell model are calibrated by comparing small-strain tensile and bending tests with atomistic simulations. This model is efficiently discretized using isogeometric analysis (IGA) for the shell structure and a pseudo-time continuation method for energy minimization. The IGA shell model is validated against fully-atomistic calculations for several benchmark problems with different substrate geometries. Agreement with atomistic results depends on geometric nonlinearity in some cases, but a simple isotropic St.Venant–Kirchhoff model is found to be sufficient to represent material behavior. We find that the IGA discretization of the continuum model has a much lower computational cost than atomistic simulations, and expect that it will enable efficient design space exploration in strain engineering applications. This is demonstrated by studying the dependence of strain and curvature in MoS2 over a holey substrate as a function of the hole spacing on scales inaccessible to atomistic calculations. The results show an unexpected qualitative change in the deformation pattern below a critical hole separation

    Projected Multi-Agent Consensus Equilibrium (PMACE) for Distributed Reconstruction with Application to Ptychography

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    Multi-Agent Consensus Equilibrium (MACE) formulates an inverse imaging problem as a balance among multiple update agents such as data-fitting terms and denoisers. However, each such agent operates on a separate copy of the full image, leading to redundant memory use and slow convergence when each agent affects only a small subset of the full image. In this paper, we extend MACE to Projected Multi-Agent Consensus Equilibrium (PMACE), in which each agent updates only a projected component of the full image, thus greatly reducing memory use for some applications.We describe PMACE in terms of an equilibrium problem and an equivalent fixed point problem and show that in most cases the PMACE equilibrium is not the solution of an optimization problem. To demonstrate the value of PMACE, we apply it to the problem of ptychography, in which a sample is reconstructed from the diffraction patterns resulting from coherent X-ray illumination at multiple overlapping spots. In our PMACE formulation, each spot corresponds to a separate data-fitting agent, with the final solution found as an equilibrium among all the agents. Our results demonstrate that the PMACE reconstruction algorithm generates more accurate reconstructions at a lower computational cost than existing ptychography algorithms when the spots are sparsely sampled

    Efficient Shapelet Discovery for Time Series Classification

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    Time-series shapelets are discriminative subsequences, recently found effective for time series classification (tsc). It is evident that the quality of shapelets is crucial to the accuracy of tsc. However, major research has focused on building accurate models from some shapelet candidates. To determine such candidates, existing studies are surprisingly simple, e.g., enumerating subsequences of some fixed lengths, or randomly selecting some subsequences as shapelet candidates. The major bulk of computation is then on building the model from the candidates. In this paper, we propose a novel efficient shapelet discovery method, called bspcover, to discover a set of high-quality shapelet candidates for model building. Specifically, bspcover generates abundant candidates via Symbolic Aggregate approXimation with sliding window, then prunes identical and highly similar candidates via Bloom filters, and similarity matching, respectively. We next propose a ppp-Cover algorithm to efficiently determine discriminative shapelet candidates that maximally represent each time-series class. Finally, any existing shapelet learning method can be adopted to build a classification model. We have conducted extensive experiments with well-known time-series datasets and representative state-of-the-art methods. Results show that bspcover speeds up the state-of-the-art methods by more than 70 times, and the accuracy is often comparable to or higher than existing works

    Machine learning enabled millimeter wave cellular system and beyond

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    Millimeter-wave (mmWave) communication with advantages of abundant bandwidth and immunity to interference has been deemed a promising technology for the next generation network and beyond. With the help of mmWave, the requirements envisioned of the future mobile network could be met, such as addressing the massive growth required in coverage, capacity as well as traffic, providing a better quality of service and experience to users, supporting ultra-high data rates and reliability, and ensuring ultra-low latency. However, due to the characteristics of mmWave, such as short transmission distance, high sensitivity to the blockage, and large propagation path loss, there are some challenges for mmWave cellular network design. In this context, to enjoy the benefits from the mmWave networks, the architecture of next generation cellular network will be more complex. With a more complex network, it comes more complex problems. The plethora of possibilities makes planning and managing a complex network system more difficult. Specifically, to provide better Quality of Service and Quality of Experience for users in the such network, how to provide efficient and effective handover for mobile users is important. The probability of handover trigger will significantly increase in the next generation network, due to the dense small cell deployment. Since the resources in the base station (BS) is limited, the handover management will be a great challenge. Further, to generate the maximum transmission rate for the users, Line-of-sight (LOS) channel would be the main transmission channel. However, due to the characteristics of mmWave and the complexity of the environment, LOS channel is not feasible always. Non-line-of-sight channel should be explored and used as the backup link to serve the users. With all the problems trending to be complex and nonlinear, and the data traffic dramatically increasing, the conventional method is not effective and efficiency any more. In this case, how to solve the problems in the most efficient manner becomes important. Therefore, some new concepts, as well as novel technologies, require to be explored. Among them, one promising solution is the utilization of machine learning (ML) in the mmWave cellular network. On the one hand, with the aid of ML approaches, the network could learn from the mobile data and it allows the system to use adaptable strategies while avoiding unnecessary human intervention. On the other hand, when ML is integrated in the network, the complexity and workload could be reduced, meanwhile, the huge number of devices and data could be efficiently managed. Therefore, in this thesis, different ML techniques that assist in optimizing different areas in the mmWave cellular network are explored, in terms of non-line-of-sight (NLOS) beam tracking, handover management, and beam management. To be specific, first of all, a procedure to predict the angle of arrival (AOA) and angle of departure (AOD) both in azimuth and elevation in non-line-of-sight mmWave communications based on a deep neural network is proposed. Moreover, along with the AOA and AOD prediction, a trajectory prediction is employed based on the dynamic window approach (DWA). The simulation scenario is built with ray tracing technology and generate data. Based on the generated data, there are two deep neural networks (DNNs) to predict AOA/AOD in the azimuth (AAOA/AAOD) and AOA/AOD in the elevation (EAOA/EAOD). Furthermore, under an assumption that the UE mobility and the precise location is unknown, UE trajectory is predicted and input into the trained DNNs as a parameter to predict the AAOA/AAOD and EAOA/EAOD to show the performance under a realistic assumption. The robustness of both procedures is evaluated in the presence of errors and conclude that DNN is a promising tool to predict AOA and AOD in a NLOS scenario. Second, a novel handover scheme is designed aiming to optimize the overall system throughput and the total system delay while guaranteeing the quality of service (QoS) of each user equipment (UE). Specifically, the proposed handover scheme called O-MAPPO integrates the reinforcement learning (RL) algorithm and optimization theory. An RL algorithm known as multi-agent proximal policy optimization (MAPPO) plays a role in determining handover trigger conditions. Further, an optimization problem is proposed in conjunction with MAPPO to select the target base station and determine beam selection. It aims to evaluate and optimize the system performance of total throughput and delay while guaranteeing the QoS of each UE after the handover decision is made. Third, a multi-agent RL-based beam management scheme is proposed, where multiagent deep deterministic policy gradient (MADDPG) is applied on each small-cell base station (SCBS) to maximize the system throughput while guaranteeing the quality of service. With MADDPG, smart beam management methods can serve the UEs more efficiently and accurately. Specifically, the mobility of UEs causes the dynamic changes of the network environment, the MADDPG algorithm learns the experience of these changes. Based on that, the beam management in the SCBS is optimized according the reward or penalty when severing different UEs. The approach could improve the overall system throughput and delay performance compared with traditional beam management methods. The works presented in this thesis demonstrate the potentiality of ML when addressing the problem from the mmWave cellular network. Moreover, it provides specific solutions for optimizing NLOS beam tracking, handover management and beam management. For NLOS beam tracking part, simulation results show that the prediction errors of the AOA and AOD can be maintained within an acceptable range of ±2. Further, when it comes to the handover optimization part, the numerical results show the system throughput and delay are improved by 10% and 25%, respectively, when compared with two typical RL algorithms, Deep Deterministic Policy Gradient (DDPG) and Deep Q-learning (DQL). Lastly, when it considers the intelligent beam management part, numerical results reveal the convergence performance of the MADDPG and the superiority in improving the system throughput compared with other typical RL algorithms and the traditional beam management method

    A Framework to Support Continuous Range Queries over Multi-Attribute Trajectories

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    Um modelo para suporte automatizado ao reconhecimento, extração, personalização e reconstrução de gráficos estáticos

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    Data charts are widely used in our daily lives, being present in regular media, such as newspapers, magazines, web pages, books, and many others. A well constructed data chart leads to an intuitive understanding of its underlying data and in the same way, when data charts have wrong design choices, a redesign of these representations might be needed. However, in most cases, these charts are shown as a static image, which means that the original data are not usually available. Therefore, automatic methods could be applied to extract the underlying data from the chart images to allow these changes. The task of recognizing charts and extracting data from them is complex, largely due to the variety of chart types and their visual characteristics. Computer Vision techniques for image classification and object detection are widely used for the problem of recognizing charts, but only in images without any disturbance. Other features in real-world images that can make this task difficult are not present in most literature works, like photo distortions, noise, alignment, etc. Two computer vision techniques that can assist this task and have been little explored in this context are perspective detection and correction. These methods transform a distorted and noisy chart in a clear chart, with its type ready for data extraction or other uses. The task of reconstructing data is straightforward, as long the data is available the visualization can be reconstructed, but the scenario of reconstructing it on the same context is complex. Using a Visualization Grammar for this scenario is a key component, as these grammars usually have extensions for interaction, chart layers, and multiple views without requiring extra development effort. This work presents a model for automated support for custom recognition, and reconstruction of charts in images. The model automatically performs the process steps, such as reverse engineering, turning a static chart back into its data table for later reconstruction, while allowing the user to make modifications in case of uncertainties. This work also features a model-based architecture along with prototypes for various use cases. Validation is performed step by step, with methods inspired by the literature. This work features three use cases providing proof of concept and validation of the model. The first use case features usage of chart recognition methods focused on documents in the real-world, the second use case focus on vocalization of charts, using a visualization grammar to reconstruct a chart in audio format, and the third use case presents an Augmented Reality application that recognizes and reconstructs charts in the same context (a piece of paper) overlaying the new chart and interaction widgets. The results showed that with slight changes, chart recognition and reconstruction methods are now ready for real-world charts, when taking time, accuracy and precision into consideration.Os gráficos de dados são amplamente utilizados na nossa vida diária, estando presentes nos meios de comunicação regulares, tais como jornais, revistas, páginas web, livros, e muitos outros. Um gráfico bem construído leva a uma compreensão intuitiva dos seus dados inerentes e da mesma forma, quando os gráficos de dados têm escolhas de conceção erradas, poderá ser necessário um redesenho destas representações. Contudo, na maioria dos casos, estes gráficos são mostrados como uma imagem estática, o que significa que os dados originais não estão normalmente disponíveis. Portanto, poderiam ser aplicados métodos automáticos para extrair os dados inerentes das imagens dos gráficos, a fim de permitir estas alterações. A tarefa de reconhecer os gráficos e extrair dados dos mesmos é complexa, em grande parte devido à variedade de tipos de gráficos e às suas características visuais. As técnicas de Visão Computacional para classificação de imagens e deteção de objetos são amplamente utilizadas para o problema de reconhecimento de gráficos, mas apenas em imagens sem qualquer ruído. Outras características das imagens do mundo real que podem dificultar esta tarefa não estão presentes na maioria das obras literárias, como distorções fotográficas, ruído, alinhamento, etc. Duas técnicas de visão computacional que podem ajudar nesta tarefa e que têm sido pouco exploradas neste contexto são a deteção e correção da perspetiva. Estes métodos transformam um gráfico distorcido e ruidoso em um gráfico limpo, com o seu tipo pronto para extração de dados ou outras utilizações. A tarefa de reconstrução de dados é simples, desde que os dados estejam disponíveis a visualização pode ser reconstruída, mas o cenário de reconstrução no mesmo contexto é complexo. A utilização de uma Gramática de Visualização para este cenário é um componente chave, uma vez que estas gramáticas têm normalmente extensões para interação, camadas de gráficos, e visões múltiplas sem exigir um esforço extra de desenvolvimento. Este trabalho apresenta um modelo de suporte automatizado para o reconhecimento personalizado, e reconstrução de gráficos em imagens estáticas. O modelo executa automaticamente as etapas do processo, tais como engenharia inversa, transformando um gráfico estático novamente na sua tabela de dados para posterior reconstrução, ao mesmo tempo que permite ao utilizador fazer modificações em caso de incertezas. Este trabalho também apresenta uma arquitetura baseada em modelos, juntamente com protótipos para vários casos de utilização. A validação é efetuada passo a passo, com métodos inspirados na literatura. Este trabalho apresenta três casos de uso, fornecendo prova de conceito e validação do modelo. O primeiro caso de uso apresenta a utilização de métodos de reconhecimento de gráficos focando em documentos no mundo real, o segundo caso de uso centra-se na vocalização de gráficos, utilizando uma gramática de visualização para reconstruir um gráfico em formato áudio, e o terceiro caso de uso apresenta uma aplicação de Realidade Aumentada que reconhece e reconstrói gráficos no mesmo contexto (um pedaço de papel) sobrepondo os novos gráficos e widgets de interação. Os resultados mostraram que com pequenas alterações, os métodos de reconhecimento e reconstrução dos gráficos estão agora prontos para os gráficos do mundo real, tendo em consideração o tempo, a acurácia e a precisão.Programa Doutoral em Engenharia Informátic
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