DiffNodesets: An Efficient Structure for Fast Mining Frequent Itemsets

Mining frequent itemsets is an essential problem in data mining and plays an important role in many data mining applications. In recent years, some itemset representations based on node sets have been proposed, which have shown to be very efficient for mining frequent itemsets. In this paper, we propose DiffNodeset, a novel and more efficient itemset representation, for mining frequent itemsets. Based on the DiffNodeset structure, we present an efficient algorithm, named dFIN, to mining frequent itemsets. To achieve high efficiency, dFIN finds frequent itemsets using a set-enumeration tree with a hybrid search strategy and directly enumerates frequent itemsets without candidate generation under some case. For evaluating the performance of dFIN, we have conduct extensive experiments to compare it against with existing leading algorithms on a variety of real and synthetic datasets. The experimental results show that dFIN is significantly faster than these leading algorithms.Comment: 22 pages, 13 figure

Dynamic Graphs on the GPU

We present a fast dynamic graph data structure for the GPU. Our dynamic graph structure uses one hash table per vertex to store adjacency lists and achieves 3.4–14.8x faster insertion rates over the state of the art across a diverse set of large datasets, as well as deletion speedups up to 7.8x. The data structure supports queries and dynamic updates through both edge and vertex insertion and deletion. In addition, we define a comprehensive evaluation strategy based on operations, workloads, and applications that we believe better characterize and evaluate dynamic graph data structures

PocketMatch: A new algorithm to compare binding sites in protein structures

Background: Recognizing similarities and deriving relationships among protein molecules is a fundamental
requirement in present-day biology. Similarities can be present at various levels which can be detected through comparison of protein sequences or their structural folds. In some cases similarities obscure at these levels could be present merely in the substructures at their binding sites. Inferring functional similarities between protein molecules by comparing their binding sites is still largely exploratory and not as yet a routine protocol. One of
the main reasons for this is the limitation in the choice of appropriate analytical tools that can compare binding sites with high sensitivity. To benefit from the enormous amount of structural data that is being rapidly accumulated, it is essential to have high throughput tools that enable large scale binding site comparison.

Results: Here we present a new algorithm PocketMatch for comparison of binding sites in a frame invariant
manner. Each binding site is represented by 90 lists of sorted distances capturing shape and chemical nature of the site. The sorted arrays are then aligned using an incremental alignment method and scored to obtain PMScores for pairs of sites. A comprehensive sensitivity analysis and an extensive validation of the algorithm have been carried out. Perturbation studies where the geometry of a given site was retained but the residue types were changed randomly, indicated that chance similarities were virtually non-existent. Our analysis also demonstrates that shape information alone is insufficient to discriminate between diverse binding sites, unless
combined with chemical nature of amino acids.

Conclusions: A new algorithm has been developed to compare binding sites in accurate, efficient and
high-throughput manner. Though the representation used is conceptually simplistic, we demonstrate that along
with the new alignment strategy used, it is sufficient to enable binding comparison with high sensitivity. Novel methodology has also been presented for validating the algorithm for accuracy and sensitivity with respect to geometry and chemical nature of the site. The method is also fast and takes about 1/250th second for one comparison on a single processor. A parallel version on BlueGene has also been implemented

Compressed Representations of Permutations, and Applications

We explore various techniques to compress a permutation $\pi$ over n integers, taking advantage of ordered subsequences in $\pi$, while supporting its application $\pi$(i) and the application of its inverse $\pi^{-1}(i)$ in small time. Our compression schemes yield several interesting byproducts, in many cases matching, improving or extending the best existing results on applications such as the encoding of a permutation in order to support iterated applications $\pi^k(i)$ of it, of integer functions, and of inverted lists and suffix arrays

Re-Pair Compression of Inverted Lists

Compression of inverted lists with methods that support fast intersection operations is an active research topic. Most compression schemes rely on encoding differences between consecutive positions with techniques that favor small numbers. In this paper we explore a completely different alternative: We use Re-Pair compression of those differences. While Re-Pair by itself offers fast decompression at arbitrary positions in main and secondary memory, we introduce variants that in addition speed up the operations required for inverted list intersection. We compare the resulting data structures with several recent proposals under various list intersection algorithms, to conclude that our Re-Pair variants offer an interesting time/space tradeoff for this problem, yet further improvements are required for it to improve upon the state of the art

PocketMatch: A new algorithm to compare binding sites in protein structures

Background: Recognizing similarities and deriving relationships among protein molecules is a fundamental
requirement in present-day biology. Similarities can be present at various levels which can be detected through comparison of protein sequences or their structural folds. In some cases similarities obscure at these levels could be present merely in the substructures at their binding sites. Inferring functional similarities between protein molecules by comparing their binding sites is still largely exploratory and not as yet a routine protocol. One of
the main reasons for this is the limitation in the choice of appropriate analytical tools that can compare binding sites with high sensitivity. To benefit from the enormous amount of structural data that is being rapidly accumulated, it is essential to have high throughput tools that enable large scale binding site comparison.

Results: Here we present a new algorithm PocketMatch for comparison of binding sites in a frame invariant
manner. Each binding site is represented by 90 lists of sorted distances capturing shape and chemical nature of the site. The sorted arrays are then aligned using an incremental alignment method and scored to obtain PMScores for pairs of sites. A comprehensive sensitivity analysis and an extensive validation of the algorithm have been carried out. Perturbation studies where the geometry of a given site was retained but the residue types were changed randomly, indicated that chance similarities were virtually non-existent. Our analysis also demonstrates that shape information alone is insufficient to discriminate between diverse binding sites, unless
combined with chemical nature of amino acids.

Conclusions: A new algorithm has been developed to compare binding sites in accurate, efficient and
high-throughput manner. Though the representation used is conceptually simplistic, we demonstrate that along
with the new alignment strategy used, it is sufficient to enable binding comparison with high sensitivity. Novel methodology has also been presented for validating the algorithm for accuracy and sensitivity with respect to geometry and chemical nature of the site. The method is also fast and takes about 1/250th second for one comparison on a single processor. A parallel version on BlueGene has also been implemented

Computing the Face Lattice of a Polytope from its Vertex-Facet Incidences

We give an algorithm that constructs the Hasse diagram of the face lattice of a convex polytope P from its vertex-facet incidences in time O(min{n,m}*a*f), where n is the number of vertices, m is the number of facets, a is the number of vertex-facet incidences, and f is the total number of faces of P. This improves results of Fukuda and Rosta (1994), who described an algorithm for enumerating all faces of a d-polytope in O(min{n,m}*d*f^2) steps. For simple or simplicial d-polytopes our algorithm can be specialized to run in time O(d*a*f). Furthermore, applications of the algorithm to other atomic lattices are discussed, e.g., to face lattices of oriented matroids.Comment: 14 pages; to appear in: Comput. Geom.; the new version contains some minor extensions and corrections as well as a more detailed treatment of oriented matroid