6,315 research outputs found

    Visual and computational analysis of structure-activity relationships in high-throughput screening data

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    Novel analytic methods are required to assimilate the large volumes of structural and bioassay data generated by combinatorial chemistry and high-throughput screening programmes in the pharmaceutical and agrochemical industries. This paper reviews recent work in visualisation and data mining that can be used to develop structure-activity relationships from such chemical/biological datasets

    QuickCSG: Fast Arbitrary Boolean Combinations of N Solids

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    QuickCSG computes the result for general N-polyhedron boolean expressions without an intermediate tree of solids. We propose a vertex-centric view of the problem, which simplifies the identification of final geometric contributions, and facilitates its spatial decomposition. The problem is then cast in a single KD-tree exploration, geared toward the result by early pruning of any region of space not contributing to the final surface. We assume strong regularity properties on the input meshes and that they are in general position. This simplifying assumption, in combination with our vertex-centric approach, improves the speed of the approach. Complemented with a task-stealing parallelization, the algorithm achieves breakthrough performance, one to two orders of magnitude speedups with respect to state-of-the-art CPU algorithms, on boolean operations over two to dozens of polyhedra. The algorithm also outperforms GPU implementations with approximate discretizations, while producing an output without redundant facets. Despite the restrictive assumptions on the input, we show the usefulness of QuickCSG for applications with large CSG problems and strong temporal constraints, e.g. modeling for 3D printers, reconstruction from visual hulls and collision detection

    QuickCSG: Fast Arbitrary Boolean Combinations of N Solids

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    QuickCSG computes the result for general N-polyhedron boolean expressions without an intermediate tree of solids. We propose a vertex-centric view of the problem, which simplifies the identification of final geometric contributions, and facilitates its spatial decomposition. The problem is then cast in a single KD-tree exploration, geared toward the result by early pruning of any region of space not contributing to the final surface. We assume strong regularity properties on the input meshes and that they are in general position. This simplifying assumption, in combination with our vertex-centric approach, improves the speed of the approach. Complemented with a task-stealing parallelization, the algorithm achieves breakthrough performance, one to two orders of magnitude speedups with respect to state-of-the-art CPU algorithms, on boolean operations over two to dozens of polyhedra. The algorithm also outperforms GPU implementations with approximate discretizations, while producing an output without redundant facets. Despite the restrictive assumptions on the input, we show the usefulness of QuickCSG for applications with large CSG problems and strong temporal constraints, e.g. modeling for 3D printers, reconstruction from visual hulls and collision detection

    Text Classification: A Review, Empirical, and Experimental Evaluation

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    The explosive and widespread growth of data necessitates the use of text classification to extract crucial information from vast amounts of data. Consequently, there has been a surge of research in both classical and deep learning text classification methods. Despite the numerous methods proposed in the literature, there is still a pressing need for a comprehensive and up-to-date survey. Existing survey papers categorize algorithms for text classification into broad classes, which can lead to the misclassification of unrelated algorithms and incorrect assessments of their qualities and behaviors using the same metrics. To address these limitations, our paper introduces a novel methodological taxonomy that classifies algorithms hierarchically into fine-grained classes and specific techniques. The taxonomy includes methodology categories, methodology techniques, and methodology sub-techniques. Our study is the first survey to utilize this methodological taxonomy for classifying algorithms for text classification. Furthermore, our study also conducts empirical evaluation and experimental comparisons and rankings of different algorithms that employ the same specific sub-technique, different sub-techniques within the same technique, different techniques within the same category, and categorie

    A plan classifier based on Chi-square distribution tests

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    To make good decisions in a social context, humans often need to recognize the plan underlying the behavior of others, and make predictions based on this recognition. This process, when carried out by software agents or robots, is known as plan recognition, or agent modeling. Most existing techniques for plan recognition assume the availability of carefully hand-crafted plan libraries, which encode the a-priori known behavioral repertoire of the observed agents; during run-time, plan recognition algorithms match the observed behavior of the agents against the plan-libraries, and matches are reported as hypotheses. Unfortunately, techniques for automatically acquiring plan-libraries from observations, e.g., by learning or data-mining, are only beginning to emerge. We present an approach for automatically creating the model of an agent behavior based on the observation and analysis of its atomic behaviors. In this approach, observations of an agent behavior are transformed into a sequence of atomic behaviors (events). This stream is analyzed in order to get the corresponding behavior model, represented by a distribution of relevant events. Once the model has been created, the proposed approach presents a method using a statistical test for classifying an observed behavior. Therefore, in this research, the problem of behavior classification is examined as a problem of learning to characterize the behavior of an agent in terms of sequences of atomic behaviors. The experiment results of this paper show that a system based on our approach can efficiently recognize different behaviors in different domains, in particular UNIX command-line data, and RoboCup soccer simulationThis work has been partially supported by the Spanish Government under project TRA2007-67374-C02-0
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