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Presentation
Efficient Identification of Tanimoto Nearest Neighbors
3rd IEEE International Conference on Data Science and Advanced Analytics (2016)
  • David C. Anastasiu, San Jose State University
  • George Karypis, University of Minnesota - Twin Cities
Abstract
Tanimoto, or (extended) Jaccard, is an important similarity measure which has seen prominent use in fields such
as data mining and chemoinformatics. Many of the existing state-of-the-art methods for market-basket analysis, plagiarism and anomaly detection, compound database search, and ligand-based virtual screening rely heavily on identifying Tanimoto nearest neighbors. Given the rapidly increasing size of data that must be analyzed, new algorithms are needed that can speed up nearest neighbor search, while at the same time providing reliable results. While many search algorithms address the complexity of the task by retrieving only some of the nearest neighbors, we propose a method that finds all of the exact nearest neighbors efficiently by leveraging recent advances in similarity search filtering. We provide tighter filtering bounds for the Tanimoto coefficient and show that our method, TAPNN, greatly outperforms existing baselines across a variety of real-world datasets and similarity thresholds.
Keywords
  • Tanimoto,
  • extended Jaccard,
  • similarity search,
  • all-pairs,
  • nearest neighbors,
  • graph construction,
  • similarity graph,
  • NNG
Publication Date
2016
Location
Montreal, QC
Comments
Winner, Best Research Paper Award
Citation Information
David C. Anastasiu and George Karypis. "Efficient Identification of Tanimoto Nearest Neighbors" 3rd IEEE International Conference on Data Science and Advanced Analytics (2016)
Available at: http://works.bepress.com/david-anastasiu/6/