22 research outputs found

    Exploiting the user interaction context for automatic task detection

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    Detecting the task a user is performing on her computer desktop is important for providing her with contextualized and personalized support. Some recent approaches propose to perform automatic user task detection by means of classifiers using captured user context data. In this paper we improve on that by using an ontology-based user interaction context model that can be automatically populated by (i) capturing simple user interaction events on the computer desktop and (ii) applying rule-based and information extraction mechanisms. We present evaluation results from a large user study we have carried out in a knowledge-intensive business environment, showing that our ontology-based approach provides new contextual features yielding good task detection performance. We also argue that good results can be achieved by training task classifiers `online' on user context data gathered in laboratory settings. Finally, we isolate a combination of contextual features that present a significantly better discriminative power than classical ones

    DINC-COVID : a webserver for ensemble docking with flexible SARS-CoV-2 proteins

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    An unprecedented research effort has been undertaken in response to the ongoing COVID-19 pandemic. This has included the determination of hundreds of crystallographic structures of SARS-CoV-2 proteins, and numerous virtual screening projects searching large compound libraries for potential drug inhibitors. Unfortunately, these initiatives have had very limited success in producing effective inhibitors against SARS-CoV-2 proteins. A reason might be an often overlooked factor in these computational efforts: receptor flexibility. To address this issue we have implemented a computational tool for ensemble docking with SARS-CoV-2 proteins. We have extracted representative ensembles of protein conformations from the Protein Data Bank and from in silico molecular dynamics simulations. Twelve pre-computed ensembles of SARS-CoV-2 protein conformations have now been made available for ensemble docking via a user-friendly webserver called DINC-COVID (dinc-covid.kavrakilab.org). We have validated DINC-COVID using data on tested inhibitors of two SARS-CoV-2 proteins, obtaining good correlations between docking-derived binding energies and experimentally-determined binding affinities. Some of the best results have been obtained on a dataset of large ligands resolved via room temperature crystallography, and therefore capturing alternative receptor conformations. In addition, we have shown that the ensembles available in DINC-COVID capture different ranges of receptor flexibility, and that this diversity is useful in finding alternative binding modes of ligands. Overall, our work highlights the importance of accounting for receptor flexibility in docking studies, and provides a platform for the identification of new inhibitors against SARS-CoV-2 proteins

    Subsurface interactions of actinide species and microorganisms: Implications for the bioremediation of actinide-organic mixtures

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    Motion Planning

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    International audienceThis chapter presents a kinodynamic motion planner for computing agile motions of quad-rotor-like aerial robots in constrained environments. Based on a simple dynamic model of the UAV, a computationally-efficient local planner is proposed to generate flyable trajectories of minimal time. This local planner is then integrated as a key component for global motion planning using different approaches. The good performance of the proposed methods is illustrated with results in simulation , as well as a preliminary experimentation with a real quad-rotor

    Advancements for A* and RRT in 3D path planning of UAVs

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    Advancements in Unmanned Aerial Vehicles (UAVs) design, actuator and sensory systems and control are making such devices financially available to a wide spectrum of users with various demands and expectations. To mitigate with this ever increasing demand robust, efficient and application–specific path planning is important. This paper presents advancements over the A* and the smoothing algorithms presented in, 1 utilising the same test scenarios. Analysis of results in 1 showed a ripple in path length as the resolution changes for all scenarios considered and less than 0.1% path length improvements after certain amount of smoothing iterates. To attenuate the path length ripple, the A* ripple reduction algorithm was developed. Results show a reduction of more than 46% in terms of standard deviation with respect to the original A* algorithm without any increase in the mean path length for all scenarios. Secondly, the smoothing algorithm developed in 1 was improved to stop smoothing based on the rate of smoothing of previous iterates. Results show more than 10 multiple less path smoothing time maintaining a path length reduction especially for simple scenarios. These advancements further portray the discussed path planning algorithms as candidates to the realisation of online 3D UAV path planning. Control & Simulatio
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