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Images of chemical molecules can be produced, manipulated, simulated and analyzed using sophisticated chemical software. However, in the process of publishing such images into scientific literature, all their chemical significance is lost. Although images of chemical molecules can be easily analyzed by the human expert, they cannot be fed back into chemical software and loose much of their potential use. We have developed a system that can automatically reconstruct the chemical information associated to the images of chemical molecules thus rendering them computer readable. We have benchmarked our system against a commercially available product and have also tested it using chemical databases of several thousand images with very encouraging results.

Work-in-Progress Track: Services CoordinationInternational audienceThis paper presents an approach for observing and reacting on the execution of services' coordinations in order to ensure NFP policies specified by the coordination designer. Thanks to policies associated to a services based application running in a Web dynamic environment, it is possible to associate a personalized behaviour: atomic integration of information retrieved from different social network services, automatic generation of an integrated view of the operations executed in different social networks

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The emergence of new hardware architectures, and the continuous production of data open new challenges for data management. It is no longer pertinent to reason with respect to a predefined set of resources (i.e., computing, storage and main memory). Instead, it is necessary to design data processing algorithms and processes considering unlimited resources via the ''pay-as-you-go'' model. According to this model, resources provision must consider the economic cost of the processes versus the use and parallel exploitation of available computing resources. In consequence, new methodologies, algorithms and tools for querying, deploying and programming data management functions have to be provided in scalable and elastic architectures that can cope with the characteristics of Big Data aware systems (intelligent systems, decision making, virtual environments, smart cities, drug personalization). These functions, must respect QoS properties (e.g., security, reliability, fault tolerance, dynamic evolution and adaptability) and behavior properties (e.g., transactional execution) according to application requirements. Mature and novel system architectures propose models and mechanisms for adding these properties to new efficient data management and processing functions delivered as services. This paper gives an overview of the different architectures in which efficient data management functions can be delivered for addressing Big Data processing challenges.

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Large scale crowd simulation and visualization combine computer graphics, artificial intelligence and high performance computing among other areas. Crowd sourced location data is used to compute spatio-temporal people and vehicle flows, while map and geometric data describe specific real places. With all this data, we can visualize both real trajectories and data driven on-line crowd simulation. We have some initial results using vehicle trajectory data.

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