Perspectives on Languages for Specifying Simulation Experiments

While domain specific languages are well established for describing the system of interest in modeling and simulation, the last years have seen increasingly domain specific languages also exploited for specifying experiments. This development, whose application areas range from computational biology to network simulation, is motivated by the desire to facilitate the reproducibility of simulation results. Thereby, the experimentation process is treated as a first class object of simulation studies. As the experimentation process contains different tasks such as configuration, observation, analysis, and evaluation, domain-specific languages can be exploited to specify experiments as well as individual sub-tasks or even the goal of the experiment, thus opening up new avenues of research. The focus of our discussion will be on what information to express, also based on existing approaches. Referring to how to express the required information, we will sketch some of the pros and cons of external and embedded domain specific languages

Exact Hybrid Particle/Population Simulation of Rule-Based Models of Biochemical Systems

Detailed modeling and simulation of biochemical systems is complicated by the problem of combinatorial complexity, an explosion in the number of species and reactions due to myriad protein-protein interactions and post-translational modifications. Rule-based modeling overcomes this problem by representing molecules as structured objects and encoding their interactions as pattern-based rules. This greatly simplifies the process of model specification, avoiding the tedious and error prone task of manually enumerating all species and reactions that can potentially exist in a system. From a simulation perspective, rule-based models can be expanded algorithmically into fully-enumerated reaction networks and simulated using a variety of network-based simulation methods, such as ordinary differential equations or Gillespie's algorithm, provided that the network is not exceedingly large. Alternatively, rule-based models can be simulated directly using particle-based kinetic Monte Carlo methods. This "network-free" approach produces exact stochastic trajectories with a computational cost that is independent of network size. However, memory and run time costs increase with the number of particles, limiting the size of system that can be feasibly simulated. Here, we present a hybrid particle/population simulation method that combines the best attributes of both the network-based and network-free approaches. The method takes as input a rule-based model and a user-specified subset of species to treat as population variables rather than as particles. The model is then transformed by a process of "partial network expansion" into a dynamically equivalent form that can be simulated using a population-adapted network-free simulator. The transformation method has been implemented within the open-source rule-based modeling platform BioNetGen, and resulting hybrid models can be simulated using the particle-based simulator NFsim. Performance tests show that significant memory savings can be achieved using the new approach and a monetary cost analysis provides a practical measure of its utility. © 2014 Hogg et al

Model Checking Spatial Logics for Closure Spaces

Spatial aspects of computation are becoming increasingly relevant in Computer Science, especially in the field of collective adaptive systems and when dealing with systems distributed in physical space. Traditional formal verification techniques are well suited to analyse the temporal evolution of programs; however, properties of space are typically not taken into account explicitly. We present a topology-based approach to formal verification of spatial properties depending upon physical space. We define an appropriate logic, stemming from the tradition of topological interpretations of modal logics, dating back to earlier logicians such as Tarski, where modalities describe neighbourhood. We lift the topological definitions to the more general setting of closure spaces, also encompassing discrete, graph-based structures. We extend the framework with a spatial surrounded operator, a propagation operator and with some collective operators. The latter are interpreted over arbitrary sets of points instead of individual points in space. We define efficient model checking procedures, both for the individual and the collective spatial fragments of the logic and provide a proof-of-concept tool

Rule-based multi-level modeling of cell biological systems

<p>Abstract</p> <p>Background</p> <p>Proteins, individual cells, and cell populations denote different levels of an organizational hierarchy, each of which with its own dynamics. Multi-level modeling is concerned with describing a system at these different levels and relating their dynamics. Rule-based modeling has increasingly attracted attention due to enabling a concise and compact description of biochemical systems. In addition, it allows different methods for model analysis, since more than one semantics can be defined for the same syntax.</p> <p>Results</p> <p>Multi-level modeling implies the hierarchical nesting of model entities and explicit support for downward and upward causation between different levels. Concepts to support multi-level modeling in a rule-based language are identified. To those belong rule schemata, hierarchical nesting of species, assigning attributes and solutions to species at each level and preserving content of nested species while applying rules. Further necessities are the ability to apply rules and flexibly define reaction rate kinetics and constraints on nested species as well as species that are nested within others. An example model is presented that analyses the interplay of an intracellular control circuit with states at cell level, its relation to cell division, and connections to intercellular communication within a population of cells. The example is described in ML-Rules - a rule-based multi-level approach that has been realized within the plug-in-based modeling and simulation framework JAMES II.</p> <p>Conclusions</p> <p>Rule-based languages are a suitable starting point for developing a concise and compact language for multi-level modeling of cell biological systems. The combination of nesting species, assigning attributes, and constraining reactions according to these attributes is crucial in achieving the desired expressiveness. Rule schemata allow a concise and compact description of complex models. As a result, the presented approach facilitates developing and maintaining multi-level models that, for instance, interrelate intracellular and intercellular dynamics.</p

Toward composing variable structure models and their interfaces: a case of intensional coupling definitions

In this thesis, we investigate a combination of traditional component-based and variable structure modeling. The focus is on a structural consistent specification of couplings in modular, hierarchical models with a variable structure. For this, we exploitintensional definitions, as known from logic, and introduce a novel intensional coupling definition, which allows a concise yet expressive specification of complex communication and interaction patterns in static as well as variable structure models, without the need to worryabout structural consistency.In der Arbeit untersuchen wir ein Zusammenbringen von klassischer komponenten-basierter und variabler Strukturmodellierung. Der Fokus liegt dabei auf der Spezifikation von strukturkonsistenten Kopplungen in modular-hierarchischen Modellen mit einer variablen Struktur. Dafür nutzen wir intensionale Definitionen, wie sie aus der Logik bekannt sind, und führen ein neuartiges Konzept von intensionalen Kopplungen ein, welches kompakte gleichzeitig ausdrucksstarke Spezifikationen von komplexen Kommunikations- und Interaktionsmuster in statischen und variablen Strukturmodellen erlaubt

Assistierte Informationsanzeige in Smart Meeting Rooms

Ziel dieser Arbeit ist es, Konzepte für eine assistierte Informationsanzeige in Smart Meeting Rooms bereitzustellen. Dafür werden 3 Modelle erarbeitet. Hierauf basierend wird das Austauschen von Inhalten zwischen mehreren Geräten und das automatische Verteilen und Anordnen von Views auf unterschiedlichen Displays adressiert. Ein Ansatz zur interaktiven, bedarfsgerechten Erzeugung von neuen Darstellungen wird vorgestellt. Manuelles Anpassen der Anzeige und die Suche nach semantisch passenden Inhalten wird durch Hilfsmittel unterstützt. Eine situationsangepasste Assistenz wird beschrieben