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.

Limitations of Non Model-Based Recognition Schemes

Different approaches to visual object recognition can be divided into two general classes: model-based vs. non model-based schemes. In this paper we establish some limitation on the class of non model-based recognition schemes. We show that every function that is invariant to viewing position of all objects is the trivial (constant) function. It follows that every consistent recognition scheme for recognizing all 3-D objects must in general be model based. The result is extended to recognition schemes that are imperfect (allowed to make mistakes) or restricted to certain classes of objects.

Pattern Motion Perception: Feature Tracking or Integration of Component Motions?

A key question regarding primate visual motion perception is whether the motion of 2D patterns is recovered by tracking distinctive localizable features [Lorenceau and Gorea, 1989; Rubin and Hochstein, 1992] or by integrating ambiguous local motion estimates [Adelson and Movshon, 1982; Wilson and Kim, 1992]. For a two-grating plaid pattern, this translates to either tracking the grating intersections or to appropriately combining the motion estimates for each grating. Since both component and feature information are simultaneously available in any plaid pattern made of contrast defined gratings, it is unclear how to determine which of the two schemes is actually used to recover the plaid"s motion. To address this problem, we have designed a plaid pattern made with subjective, rather than contrast defined, gratings. The distinguishing characteristic of such a plaid pattern is that it contains no contrast defined intersections that may be tracked. We find that notwithstanding the absence of such features, observers can accurately recover the pattern velocity. Additionally we show that the hypothesis of tracking "illusory features" to estimate pattern motion does not stand up to experimental test. These results present direct evidence in support of the idea that calls for the integration of component motions over the one that mandates tracking localized features to recover 2D pattern motion. The localized features, we suggest, are used primarily as providers of grouping information - which component motion signals to integrate and which not to.

Combining Associational and Causal Reasoning to Solve Interpretation and Planning Problems

This report describes a paradigm for combining associational and causal reasoning to achieve efficient and robust problem-solving behavior. The Generate, Test and Debug (GTD) paradigm generates initial hypotheses using associational (heuristic) rules. The tester verifies hypotheses, supplying the debugger with causal explanations for bugs found if the test fails. The debugger uses domain-independent causal reasoning techniques to repair hypotheses, analyzing domain models and the causal explanations produced by the tester to determine how to replace faulty assumptions made by the generator. We analyze the strengths and weaknesses of associational and causal reasoning techniques, and present a theory of debugging plans and interpretations. The GTD paradigm has been implemented and tested in the domains of geologic interpretation, the blocks world, and Tower of Hanoi problems.

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.