Query processing of geometric objects with free form boundarie sin spatial databases

The increasing demand for the use of database systems as an integrating factor in CAD/CAM applications has necessitated the development of database systems with appropriate modelling and retrieval capabilities. One essential problem is the treatment of geometric data which has led to the development of spatial databases. Unfortunately, most proposals only deal with simple geometric objects like multidimensional points and rectangles. On the other hand, there has been a rapid development in the field of representing geometric objects with free form curves or surfaces, initiated by engineering applications such as mechanical engineering, aviation or astronautics. Therefore, we propose a concept for the realization of spatial retrieval operations on geometric objects with free form boundaries, such as B-spline or Bezier curves, which can easily be integrated in a database management system. The key concept is the encapsulation of geometric operations in a so-called query processor. First, this enables the definition of an interface allowing the integration into the data model and the definition of the query language of a database system for complex objects. Second, the approach allows the use of an arbitrary representation of the geometric objects. After a short description of the query processor, we propose some representations for free form objects determined by B-spline or Bezier curves. The goal of efficient query processing in a database environment is achieved using a combination of decomposition techniques and spatial access methods. Finally, we present some experimental results indicating that the performance of decomposition techniques is clearly superior to traditional query processing strategies for geometric objects with free form boundaries

A posteriori metadata from automated provenance tracking: Integration of AiiDA and TCOD

In order to make results of computational scientific research findable, accessible, interoperable and re-usable, it is necessary to decorate them with standardised metadata. However, there are a number of technical and practical challenges that make this process difficult to achieve in practice. Here the implementation of a protocol is presented to tag crystal structures with their computed properties, without the need of human intervention to curate the data. This protocol leverages the capabilities of AiiDA, an open-source platform to manage and automate scientific computational workflows, and TCOD, an open-access database storing computed materials properties using a well-defined and exhaustive ontology. Based on these, the complete procedure to deposit computed data in the TCOD database is automated. All relevant metadata are extracted from the full provenance information that AiiDA tracks and stores automatically while managing the calculations. Such a protocol also enables reproducibility of scientific data in the field of computational materials science. As a proof of concept, the AiiDA-TCOD interface is used to deposit 170 theoretical structures together with their computed properties and their full provenance graphs, consisting in over 4600 AiiDA nodes

Reify Your Collection Queries for Modularity and Speed!

Modularity and efficiency are often contradicting requirements, such that programers have to trade one for the other. We analyze this dilemma in the context of programs operating on collections. Performance-critical code using collections need often to be hand-optimized, leading to non-modular, brittle, and redundant code. In principle, this dilemma could be avoided by automatic collection-specific optimizations, such as fusion of collection traversals, usage of indexing, or reordering of filters. Unfortunately, it is not obvious how to encode such optimizations in terms of ordinary collection APIs, because the program operating on the collections is not reified and hence cannot be analyzed. We propose SQuOpt, the Scala Query Optimizer--a deep embedding of the Scala collections API that allows such analyses and optimizations to be defined and executed within Scala, without relying on external tools or compiler extensions. SQuOpt provides the same "look and feel" (syntax and static typing guarantees) as the standard collections API. We evaluate SQuOpt by re-implementing several code analyses of the Findbugs tool using SQuOpt, show average speedups of 12x with a maximum of 12800x and hence demonstrate that SQuOpt can reconcile modularity and efficiency in real-world applications.Comment: 20 page