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.

Geometric and Algebraic Aspects of 3D Affine and Projective Structures from Perspective 2D Views

We investigate the differences --- conceptually and algorithmically --- between affine and projective frameworks for the tasks of visual recognition and reconstruction from perspective views. It is shown that an affine invariant exists between any view and a fixed view chosen as a reference view. This implies that for tasks for which a reference view can be chosen, such as in alignment schemes for visual recognition, projective invariants are not really necessary. We then use the affine invariant to derive new algebraic connections between perspective views. It is shown that three perspective views of an object are connected by certain algebraic functions of image coordinates alone (no structure or camera geometry needs to be involved).

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.

The Use of Equality in Deduction and Knowledge Representation

This report describes a system which maintains canonical expressions for designators under a set of equalities. Substitution is used to maintain all knowledge in terms of these canonical expressions. A partial order on designators, termed the better-name relation, is used in the choice of canonical expressions. It is shown that with an appropriate better-name relation an important engineering reasoning technique, propagation of constraints, can be implemented as a special case of this substitution process. Special purpose algebraic simplification procedures are embedded such that they interact effectively with the equality system. An electrical circuit analysis system is developed which relies upon constraint propagation and algebraic simplification as primary reasoning techniques. The reasoning is guided by a better-name relation in which referentially transparent terms are preferred to referentially opaque ones. Multiple description of subcircuits are shown to interact strongly with the reasoning mechanism.

Automated Reasoning About Classical Mechanics

In recent years, researchers in artificial intelligence have become interested in replicating human physical reasoning talents in computers. One of the most important skills in this area is predicting how physical systems will behave. This thesis discusses an implemented program that generates algebraic descriptions of how systems of rigid bodies evolve over time. Discussion about the design of this program identifies a physical reasoning paradigm and knowledge representation approach based on mathematical model construction and algebraic reasoning. This paradigm offers several advantages over methods that have become popular in the field, and seems promising for reasoning about a wide variety of classical mechanics problems.

Embodiment and Manipulation Learning Process for a Humanoid Hand

Babies are born with simple manipulation capabilities such as reflexes to perceived stimuli. Initial discoveries by babies are accidental until they become coordinated and curious enough to actively investigate their surroundings. This thesis explores the development of such primitive learning systems using an embodied light-weight hand with three fingers and a thumb. It is self-contained having four motors and 36 exteroceptor and proprioceptor sensors controlled by an on-palm microcontroller. Primitive manipulation is learned from sensory inputs using competitive learning, back-propagation algorithm and reinforcement learning strategies. This hand will be used for a humanoid being developed at the MIT Artificial Intelligence Laboratory.