Designing Effective Simulation Games for Active Learning in Systems Engineering

Simulation games have been an effective method of teaching, especially for Systems Engineering concepts. The hands-on activities facilitate active, experiential, and collaborative learning with fun elements. Many simulation games have been developed in the past, but not all are equally effective. How to design a simulation game that is effective and easy to implement? This paper attempts to identify the key design factors that affect the performance of simulation games for teaching systems engineering concepts. By reviewing designs of several existing simulation games, important design factors were identified and verified. With these factors, a more effective way to design new simulation games has been suggested.Cockrell School of Engineerin

A Novel A Priori Simulation Algorithm for Absorbing Receivers in Diffusion-Based Molecular Communication Systems

A novel a priori Monte Carlo (APMC) algorithm is proposed to accurately simulate the molecules absorbed at spherical receiver(s) with low computational complexity in diffusion-based molecular communication (MC) systems. It is demonstrated that the APMC algorithm achieves high simulation efficiency since by using this algorithm, the fraction of molecules absorbed for a relatively large time step length precisely matches the analytical result. Therefore, the APMC algorithm overcomes the shortcoming of the existing refined Monte Carlo (RMC) algorithm which enables accurate simulation for a relatively small time step length only. Moreover, for the RMC algorithm, an expression is proposed to quickly predict the simulation accuracy as a function of the time step length and system parameters, which facilitates the choice of simulation time step for a given system. Furthermore, a rejection threshold is proposed for both the RMC and APMC algorithms to significantly save computational complexity while causing an extremely small loss in accuracy.Comment: 11 pages, 14 figures, submitted to IEEE Transactions on NanoBioscience. arXiv admin note: text overlap with arXiv:1803.0463

Simulation of Water Distribution Systems

In this paper a software package offering a means of simulating complex water distribution systems is described. It has been developed in the course of our investigations into the applicability of neural networks and fuzzy systems for the implementation of decision support systems in operational control of industrial processes with case-studies taken from the water industry. Examples of how the simulation package have been used in a design and testing of the algorithms for state estimation, confidence limit analysis and fault detection are presented. Arguments for using a suitable graphical visualization techniques in solving problems like meter placement or leakage diagnosis are also given and supported by a set of examples

Computer simulation of protein systems

Ligand binding to dihydrofolate reductase (DHFR) is discussed. This is an extremely important enzyme, as it is the target of several drugs (inhibitors) which are used clinically as antibacterials, antiprotozoals and in cancer chemotherapy. DHFR catalyzes the NADPH (reduced nicotinamide adenine dinucleotide phosphate) dependent reduction of dihydrofolate to tetrahydrofolate, which is used in several pathways of purine and pyrimidine iosynthesis, including that of thymidylate. Since DNA synthesis is dependent on a continuing supply of thymidylate, a blockade of DHFR resulting in a depletion of thymidylate can lead to the cessation of growth of a rapidly proliferating cell line. DHFR exhibits a significant species to species variability in its sensitivity to various inhibitors. For example, trimethoprim, an inhibitor of DHFR, binds to bacterial DHFR's 5 orders of magnitude greater than to vertebrate DHFR's. The structural mechanics, dynamics and energetics of a family of dihydrofolate reductases are studied to rationalize the basis for the inhibitor of these enyzmes and to understand the molecular basis of the difference in the binding constants between the species. This involves investigating the conformational changes induced in the protein on binding the ligand, the internal strain imposed by the enzyme on the ligand, the restriction of fluctuations in atom positions due to binding and the consequent change in entropy

Controlled vocabularies and semantics in systems biology

The use of computational modeling to describe and analyze biological systems is at the heart of systems biology. Model structures, simulation descriptions and numerical results can be encoded in structured formats, but there is an increasing need to provide an additional semantic layer. Semantic information adds meaning to components of structured descriptions to help identify and interpret them unambiguously. Ontologies are one of the tools frequently used for this purpose. We describe here three ontologies created specifically to address the needs of the systems biology community. The Systems Biology Ontology (SBO) provides semantic information about the model components. The Kinetic Simulation Algorithm Ontology (KiSAO) supplies information about existing algorithms available for the simulation of systems biology models, their characterization and interrelationships. The Terminology for the Description of Dynamics (TEDDY) categorizes dynamical features of the simulation results and general systems behavior. The provision of semantic information extends a model's longevity and facilitates its reuse. It provides useful insight into the biology of modeled processes, and may be used to make informed decisions on subsequent simulation experiments

Automated Calculation and Simulation Systems

I briefly summarize the parallel sessions on Automated Calculation and Simulation Systems for high energy particle physics phenomenology at ACAT 2002 (Moscow State University, June 2002) and present a short overview over the current status of the field and try to identify the important trends.Comment: 4 pages, LaTeX, to appear in the proceedings of ACAT 200

Effective simulation techniques for biological systems

In this paper we give an overview of some very recent work on the stochastic simulation of systems involving chemical reactions. In many biological systems (such as genetic regulation and cellular dynamics) there is a mix between small numbers of key regulatory proteins, and medium and large numbers of molecules. In addition, it is important to be able to follow the trajectories of individual molecules by taking proper account of the randomness inherent in such a system. We describe different types of simulation techniques (including the stochastic simulation algorithm, Poisson Runge-Kutta methods and the Balanced Euler method) for treating simulations in the three different reaction regimes: slow, medium and fast. We then review some recent techniques on the treatment of coupled slow and fast reactions for stochastic chemical kinetics and discuss how novel computing implementations can enhance the performance of these simulations