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In der vorliegenden Arbeit wurde ein Verfahren zur Analyse von Molekülen auf Grundlage ihrer molekularen Oberfläche und lokalen Werte für physiko-chemische und topografische Eigenschaften entwickelt. Der als Kernkomponente der Analyse entwickelte Fuzzy-Controller kombiniert molekulare Eigenschaften und selektiert die für Wechselwirkungen relevanten Merkmale auf der Oberfläche. Die Ergebnisse des Fuzzy-Controllers werden für die Berechnung von 3D-Deskriptoren und für die Visualisierung der ermittelten Domänen auf der Oberfläche herangezogen. Es werden zwei Arten von Deskriptoren berechnet. Deskriptoren, welche Flächeninhalte und Zugehörigkeiten zu den spezifizierten Bindungsmerkmalen der Domänen darstellen, und Deskriptoren, welche die räumliche Anordnung der Domänen zueinander beschreiben. Die vom Fuzzy-Controller überarbeitete Oberfläche wird im VRML-Format zur Visualisierung und weiteren Bearbeitung zur Verfügung gestellt. Die berechneten Deskriptoren werden zur Ähnlichkeitsanalyse von Liganden und zur Suche von komplementären Bereichen an der Bindungsstelle einesRezeptors eingesetzt. MTX in protonierter Form und DHF, die an das Enzym DHF-Reduktase binden, und die Inhibitoren Sildenafil, Tadalafil und Vardenafil des Enzyms PDE-5A wurden unter Ähnlichkeitsaspekten analysiert. Bei der Bestimmung von komplementären Bindungsmerkmalen wird ausgehend von den Bindungsmerkmalen eines Liganden nach komplementären Bereichen in der Bindungstasche des Rezeptors gesucht. Als Anwendungsbeispiele werden die Bindungsstelle des Enzyms DHF-Reduktase aus den Komplexen mit MTX und DHF und des Enzyms PDE-5A aus den Komplexen mit Sildenafil, Vardenafil und Tadalafil betrachtet. Insgesamt haben die Anwendungsbeispiele gezeigt, dass der vorgestellte Fuzzy-Controller Bindungsmerkmale auf der molekularen Oberfläche identifiziert unddie darauf basierenden, rotations- und translationsinvarianten Deskriptoren zur Ähnlichkeitsanalyse und zur Suche von komplementären Bereichen angewendet werden können.
Big Data
(2012)
A bond graph representation of switching devices known for a long time has been a modulated transformer with a modulus b(t)∈{0,1}∀t≥0 in conjunction with a resistor R:Ron accounting for the ON-resistance of a switch considered non-ideal. Besides other representations, this simple model has been used in bond graphs for simulation of the dynamic behaviour of hybrid systems. A previous article of the author has proposed to use the transformer–resistor pair in bond graphs for fault diagnosis in hybrid systems. Advantages are a unique bond graph for all system modes, the application of the unmodified standard Sequential Causality Assignment Procedure, fixed computational causalities and the derivation of analytical redundancy relations incorporating ‘Boolean’ transformer moduli so that they hold for all system modes. Switches temporarily connect and disconnect model parts. As a result, some independent storage elements may temporarily become dependent, so that the number of state variables is not time-invariant. This article addresses this problem in the context of modelling and simulation of fault scenarios in hybrid systems. In order to keep time-invariant preferred integral causality at storage ports, residual sinks previously introduced by the author are used. When two storage elements become dependent at a switching time instance ts, a residual sink is activated. It enforces that the outputs of two dependent storage elements become immediately equal by imposing the conjugate3 power variable of appropriate value on their inputs. The approach is illustrated by the bond graph modelling and simulation of some fault scenarios in a standard three-phase switched power inverter supplying power into an RL-load in a delta configuration. A well-developed approach to model-based fault detection and isolation is to evaluate the residual of analytical redundancy relations. In this article, analytical redundancy relation residuals have been computed numerically by coupling a bond graph of the faulty system to one of the non-faulty systems by means of residual sinks. The presented approach is not confined to power electronic systems but can be used for hybrid systems in other domains as well. In further work, the RL-load may be replaced by a bond graph model of an alternating current motor in order to study the effect of switch failures in the power inverter on to the dynamic behaviour of the motor.
For the case when the abstraction of instantaneous state transitions is adopted, this paper proposes to start fault detection and isolation in an engineering system from a single time-invariant causality bond graph representation of a hybrid model. To that end, the paper picks up on a long-known proposal to model switching devices by a transformer modulated by a Boolean variable and a resistor in fixed conductance causality accounting for its ON resistance. Bond graph representations of hybrid system models developed in this way have been used so far mainly for the purpose of simulation. The paper shows that they can well constitute an approach to the bond-graph-based quantitative fault detection and isolation of hybrid models. Advantages are that the standard sequential causality assignment procedure can be a used without modification. A single set of analytical redundancy relations valid for all physically feasible system modes can be (automatically) derived from the bond graph. Stiff model equations due to small values of the ON resistance in the switch model may be avoided by symbolic reformulation of equations and letting the ON resistance of some switches tend to zero, turning them into ideal switches.
First, for two examples considered in the literature, it is shown that the approach proposed in this paper can produce the same analytical redundancy relations as were obtained from a hybrid bond graph with controlled junctions and the use of a sequential causality assignment procedure especially for fault detection and isolation purpose. Moreover, the usefulness of the proposed approach is illustrated in two case studies by its application to standard switching circuits extensively used in power electronic systems and by simulation of some fault scenarios. The approach, however, is not confined to the fault detection and isolation of such systems. Analytically validated simulation results obtained by means of the program Scilab give confidence in the approach.
BWL-Formeln für Dummies
(2012)
In the realm of service robots recovery from faults is indispensable to foster user acceptance. Here fault is to be understood not in the sense of robot internal, rather as interaction faults while situated in and interacting with an environment (aka ex-ternal faults). We reason along the most frequent failures in typical scenarios which we observed during real-world demonstrations and competitions using our Care-O-bot III 1 robot. They take place in an apartment-like environments which is known as closed world. We suggest four different -for now adhoc -fault categories caused by disturbances, imperfect per-ception, inadequate planning or chaining of action sequences. The fault are categorized and then mapped to a handful of partly known, partly extended fault handling techniques. Among them we applied qualitative reasoning, use of simu-lation as oracle, learning for planning (aka en-hancement of plan operators) or -in future -case-based reasoning. Having laid out this frame we mainly ask open questions related to the applicability of the pre-sented approach. Amongst them: how to find new categories, how to extend them, how to as-sure disjointness, how to identify old and label new faults on the fly.
Traffic simulations are typically concerned with modeling human behavior as closely as possible to create realistic results. In conventional traffic simulations used for road planning or traffic jam prediction only the overall behavior of an entire system is of interest. In virtual environments, like digital games, simulated traffic participants are merely a backdrop to the player’s experience and only need to be “sufficiently realistic”. Additionally, restricted computational resources, typical for virtual environment applications, usually limit the complexity of simulated behavior in this field. More importantly, two integral aspects of real-world traffic are not considered in current traffic simulations from both fields: misbehavior and risk taking of traffic participants. However, for certain applications like the FIVIS bicycle simulator, these aspects are essential.
Traffic simulations for virtual environments are concerned with the behavior of individual traffic participants. The complexity of behavior in these simulations is often rather simple to abide by the constraints of processing resources. In sophisticated traffic simulations, the behavior of individual traffic participants is also modeled, but the focus lies on the overall behavior of the entire system, e.g. to identify possible bottle necks of traffic flow [8].
Using virtual environment systems for road safety education requires a realistic simulation of road traffic. Current traffic simulations are either too restricted in their complexity of agent behavior or focus on aspects not important in virtual environments. More importantly, none of them are concerned with modeling misbehavior of traffic participants which is part of every-day traffic and should therefore not be neglected in this context. We present a concept for a traffic simulation that addresses the need for more realistic agent behavior with regard to road safety education. The two major components of this concept are a simulation of persistent agents which minimizes computational overhead and a model of cognitive processes of human drivers combined with psychological personality profiles to allow for individual behavior and misbehavior.
Um eine Software fertigzustellen und dem Endkunden zu übergeben muss zunächst der Entwicklungsprozess durchschritten werden. Das zügige Durchlaufen dieses Entwicklungsprozesses ist besonders für den Endkunden von entscheidender Bedeutung, da die Wartezeit auf das Softwareprodukt für ihn reduziert wird. Problematisch könnte beispielsweise dabei ein modulares Vorgehen werden, wenn zunächst alle einzelnen Teilkomponenten eines Softwareproduktes entwickelt und diese daraufhin in einer anschließenden Phase, auch Integrationsphase genannt, zusammengefügt würden. Die Länge dieser Integrationsphase kann nur schwer vorausgesagt werden, so dass weder das Entwicklerteam noch der Endkunde wissen, wie lang die Fertigstellung des Produktes dauern wird. Dabei entsteht ein weiterer Nachteil. Da die Komponenten separat voneinander entwickelt werden, könnte es passieren, dass diese beim finalen Zusammenfügen nicht kompatibel sein und müssten, falls notwendig, angepasst werden. Die Folge wäre eine Verschwendung von personellen und somit auch finanziellen Ressourcen seitens des entwickelnden Unternehmens.
Controlling 2020
(2012)
Aufgrund der wachsenden Dynamik der Unternehmensumwelt, nimmt die allgemeine Unsicherheit über die zukünftigen Entwicklungsrichtungen der Unternehmen in Deutschland stetig zu. Vor diesem Hintergrund und für einen proaktiven Umgang mit zukünftigen Herausforderungen, sollten Controller ein besonderes Interesse daran haben, frühzeitig zu erfahren, welche Entwicklungen die Controllingpraxis in Zukunft tangieren werden. Trotz der steigenden Nachfrage kommt aktuell weder die akademische, noch die praxisorientierte Controllingforschung ihrer Prognosefunktion in ausreichendem Maße nach. Als wissenschaftlicher Beitrag für eine stärkere Zukunftsorientierung in der Controllingforschung zielt die vorliegende Arbeit darauf ab, mit Hilfe einer qualitativen Metaanalyse, aus Zukunftsbildern der Unternehmensumwelt Thesen über die zukünftige Entwicklung des Controllings in Deutschland bis 2020 aufzustellen und Implikationen für die Controllingpraxis abzuleiten.
This article concerns the design and development of Information- and Communication Technology, in particular computer systems in regard to the demographic transition which will influence user capabilities. It is questionable if current applied computer systems are able to meet the requirements of altered user groups with diversified capabilities. Such an enquiry is necessary based on actual forecasts leading to the assumption that the average age of employees in enterprises will increase significantly within the next 50-60 years, while the percentage of computer aided business tasks, operated by human individuals, rises from year to year. This progress will precipitate specific consequences for enterprises regarding the design and application of computer systems. If computer systems are not adapted to altered user requirements, efficient and productive utilisation could be negatively influenced. These consequences constitute the motivation to extend traditional design methodologies and thereby ensure the application of computer systems that are usable, independent of user capabilities.
Approximate clone detection is the process of identifying similar process fragments in business process model collections. The tool presented in this paper can efficiently cluster approximate clones in large process model repositories. Once a repository is clustered, users can filter and browse the clusters using different filtering parameters. Our tool can also visualize clusters in the 2D space, allowing a better understanding of clusters and their member fragments. This demonstration will be useful for researchers and practitioners working on large process model repositories, where process standardization is a critical task for increasing the consistency and reducing the complexity of the repository.
This project investigated the viability of using the Microsoft Kinect in order to obtain reliable Red-Green-Blue-Depth (RGBD) information. This explored the usability of the Kinect in a variety of environments as well as its ability to detect different classes of materials and objects. This was facilitated through the implementation of Random Sample and Consensus (RANSAC) based algorithms and highly parallelized workflows in order to provide time sensitive results. We found that the Kinect provides detailed and reliable information in a time sensitive manner. Furthermore, the project results recommend usability and operational parameters for the use of the Kinect as a scientific research tool.