Matthew Eric Otey | Search PubMed

PubMed2006

A model-based approach for mining membrane protein crystallization trials.

MOTIVATION: Membrane proteins are known to play crucial roles in various cellular functions. Information about their function can be derived from their structure, but knowledge of these proteins is limited, as their structures are difficult to obtain. Crystallization has proved to be an essential step in the determination of macromolecular structure. Unfortunately, the bottleneck is that the crystallization process is quite complex and extremely sensitive to experimental conditions, the selection of which is largely a matter of trial and error. Even under the best conditions, it can take a large amount of time, from weeks to years, to obtain diffraction-quality crystals. Other issues include the time and cost involved in taking multiple trials and the presence of very few positive samples in a wide and largely undetermined parameter space. Therefore, any help in directing scientists' attention to the hot spots in the conceptual crystallization space would lead to increased efficiency in crystallization trials. RESULTS: This work is an application case study on mining membrane protein crystallization trials to predict novel conditions that have a high likelihood of leading to crystallization. We use suitable supervised learning algorithms to model the data-space and predict a novel set of crystallization conditions. Our preliminary wet laboratory results are very encouraging and we believe this work shows great promise. We conclude with a view of the crystallization space that is based on our results, which should prove useful for future studies in this area.

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PubMed2004

Parallel and distributed methods for incremental frequent itemset mining.

Traditional methods for data mining typically make the assumption that the data is centralized, memory-resident, and static. This assumption is no longer tenable. Such methods waste computational and input/output (I/O) resources when data is dynamic, and they impose excessive communication overhead when data is distributed. Efficient implementation of incremental data mining methods is, thus, becoming crucial for ensuring system scalability and facilitating knowledge discovery when data is dynamic and distributed. In this paper, we address this issue in the context of the important task of frequent itemset mining. We first present an efficient algorithm which dynamically maintains the required information even in the presence of data updates without examining the entire dataset. We then show how to parallelize this incremental algorithm. We also propose a distributed asynchronous algorithm, which imposes minimal communication overhead for mining distributed dynamic datasets. Our distributed approach is capable of generating local models (in which each site has a summary of its own database) as well as the global model of frequent itemsets (in which all sites have a summary of the entire database). This ability permits our approach not only to generate frequent itemsets, but also to generate high-contrast frequent itemsets, which allows one to examine how the data is skewed over different sites.

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