On Probabilistic Strategies for Robot Tasks

Robots must act purposefully and successfully in an uncertain world. Sensory information is inaccurate or noisy, actions may have a range of effects, and the robot's environment is only partially and imprecisely modeled. This thesis introduces active randomization by a robot, both in selecting actions to execute and in focusing on sensory information to interpret, as a basic tool for overcoming uncertainty. An example of randomization is given by the strategy of shaking a bin containing a part in order to orient the part in a desired stable state with some high probability. Another example consists of first using reliable sensory information to bring two parts close together, then relying on short random motions to actually mate the two parts, once the part motions lie below the available sensing resolution. Further examples include tapping parts that are tightly wedged, twirling gears before trying to mesh them, and vibrating parts to facilitate a mating operation.

Exploring Bit-Difference for Approximate KNN Search in High-dimensional Databases

In this paper, we develop a novel index structure to support efficient approximate k-nearest neighbor (KNN) query in high-dimensional databases. In high-dimensional spaces, the computational cost of the distance (e.g., Euclidean distance) between two points contributes a dominant portion of the overall query response time for memory processing. To reduce the distance computation, we first propose a structure (BID) using BIt-Difference to answer approximate KNN query. The BID employs one bit to represent each feature vector of point and the number of bit-difference is used to prune the further points. To facilitate real dataset which is typically skewed, we enhance the BID mechanism with clustering, cluster adapted bitcoder and dimensional weight, named the BID⁺. Extensive experiments are conducted to show that our proposed method yields significant performance advantages over the existing index structures on both real life and synthetic high-dimensional datasets.

Molecular computations for reactions and phase transitions: applications to protein stabilization, hydrates and catalysis

In this work we have made significant contributions in three different areas of interest: therapeutic protein stabilization, thermodynamics of natural gas clathrate-hydrates, and zeolite catalysis. In all three fields, using our various computational techniques, we have been able to elucidate phenomena that are difficult or impossible to explain experimentally. More specifically, in mixed solvent systems for proteins we developed a statistical-mechanical method to model the thermodynamic effects of additives in molecular-level detail. It was the first method demonstrated to have truly predictive (no adjustable parameters) capability for real protein systems. We also describe a novel mechanism that slows protein association reactions, called the “gap effect.” We developed a comprehensive picture of methioine oxidation by hydrogen peroxide that allows for accurate prediction of protein oxidation and provides a rationale for developing strategies to control oxidation. The method of solvent accessible area (SAA) was shown not to correlate well with oxidation rates. A new property, averaged two-shell water coordination number (2SWCN) was identified and shown to correlate well with oxidation rates. Reference parameters for the van der Waals Platteeuw model of clathrate-hydrates were found for structure I and structure II. These reference parameters are independent of the potential form (unlike the commonly used parameters) and have been validated by calculating phase behavior and structural transitions for mixed hydrate systems. These calculations are validated with experimental data for both structures and for systems that undergo transitions from one structure to another. This is the first method of calculating hydrate thermodynamics to demonstrate predictive capability for phase equilibria, structural changes, and occupancy in pure and mixed hydrate systems. We have computed a new mechanism for the methanol coupling reaction to form ethanol and water in the zeolite chabazite. The mechanism at 400°C proceeds via stable intermediates of water, methane, and protonated formaldehyde.