Summarizing Qualitative Behavior from Measurements of NonlinearsCircuits

This report describes a program which automatically characterizes the behavior of any driven, nonlinear, electrical circuit. To do this, the program autonomously selects interesting input parameters, drives the circuit, measures its response, performs a set of numeric computations on the measured data, interprets the results, and decomposes the circuit's parameter space into regions of qualitatively distinct behavior. The output is a two-dimensional portrait summarizing the high-level, qualitative behavior of the circuit for every point in the graph, an accompanying textual explanation describing any interesting patterns observed in the diagram, and a symbolic description of the circuit's behavior which can be passed on to other programs for further analysis.

The Kineticist's Workbench: Combining Symbolic and Numerical Methods in the Simulation of Chemical Reaction Mechanisms

The Kineticist's Workbench is a program that simulates chemical reaction mechanisms by predicting, generating, and interpreting numerical data. Prior to simulation, it analyzes a given mechanism to predict that mechanism's behavior; it then simulates the mechanism numerically; and afterward, it interprets and summarizes the data it has generated. In performing these tasks, the Workbench uses a variety of techniques: graph- theoretic algorithms (for analyzing mechanisms), traditional numerical simulation methods, and algorithms that examine simulation results and reinterpret them in qualitative terms. The Workbench thus serves as a prototype for a new class of scientific computational tools---tools that provide symbiotic collaborations between qualitative and quantitative methods.