Descriptive Simulation: Combining Symbolic and Numerical Methods in the Analysis of Chemical Reaction Mechanisms

The Kineticist's Workbench is a computer program currently under development whose purpose is to help chemists understand, analyze, and simplify complex chemical reaction mechanisms. This paper discusses one module of the program that numerically simulates mechanisms and constructs qualitative descriptions of the simulation results. These descriptions are given in terms that are meaningful to the working chemist (e.g., steady states, stable oscillations, and so on); and the descriptions (as well as the data structures used to construct them) are accessible as input to other programs.

Complex System Classification

The use of terms such as “Engineering Systems”, “System of systems” and others have been coming into greater use over the past decade to denote systems of importance but with implied higher complexity than for the term systems alone. This paper searches for a useful taxonomy or classification scheme for complex Systems. There are two aspects to this problem: 1) distinguishing between Engineering Systems (the term we use) and other Systems, and 2) differentiating among Engineering Systems. Engineering Systems are found to be differentiated from other complex systems by being human-designed and having both significant human complexity as well as significant technical complexity. As far as differentiating among various engineering systems, it is suggested that functional type is the most useful attribute for classification differentiation. Information, energy, value and mass acted upon by various processes are the foundation concepts underlying the technical types.

Representing Knowledge of Large-Scale Space

This dissertation presents a model of the knowledge a person has about the spatial structure of a large-scale environment: the "cognitive map". The functions of the cognitive map are to assimilate new information about the environment, to represent the current position, and to answer route-finding and relative-position problems. This model (called the TOUR model) analyzes the cognitive map in terms of symbolic descriptions of the environment and operations on those descriptions. Knowledge about a particular environment is represented in terms of route descriptions, a topological network of paths and places, multiple frames of reference for relative positions, dividing boundaries, and a structure of containing regions. The current position is described by the "You Are Here" pointer, which acts as a working memory and a focus of attention. Operations on the cognitive map are performed by inference rules which act to transfer information among different descriptions and the "You Are Here" pointer. The TOUR model shows how the particular descriptions chosen to represent spatial knowledge support assimilation of new information from local observations into the cognitive map, and how the cognitive map solves route-finding and relative-position problems. A central theme of this research is that the states of partial knowledge supported by a representation are responsible for its ability to function with limited information of computational resources. The representations in the TOUR model provide a rich collection of states of partial knowledge, and therefore exhibit flexible, "common-sense" behavior.