6145819
HapBlock: haplotype block partitioning and tag SNP selection software using a set of dynamic programming algorithms
UNLABELLED
Recent studies have revealed that linkage disequilibrium (LD) patterns vary across the human genome with some regions of high LD interspersed with regions of low LD. Such LD patterns make it possible to select a set of single nucleotide polymorphism (SNPs; tag SNPs) for genome-wide association studies. We have developed a suite of computer programs to analyze the block-like LD patterns and to select the corresponding tag SNPs. Compared to other programs for haplotype block partitioning and tag SNP selection, our program has several notable features. First, the dynamic programming algorithms implemented are guaranteed to find the block partition with minimum number of tag SNPs for the given criteria of blocks and tag SNPs. Second, both haplotype data and genotype data from unrelated individuals and/or from general pedigrees can be analyzed. Third, several existing measures/criteria for haplotype block partitioning and tag SNP selection have been implemented in the program. Finally, the programs provide flexibility to include specific SNPs (e.g. non-synonymous SNPs) as tag SNPs.


AVAILABILITY
The HapBlock program and its supplemental documents can be downloaded from the website http://www.cmb.usc.edu/~msms/HapBlock.
31567164
Prediction of protein function using protein-protein interaction data
Assigning functions to novel proteins is one of the most important problems in the post-genomic era. We develop a novel approach that applies the theory of Markov random fields to infer a protein's functions using protein-protein interaction data and the functional annotations of its interaction protein partners. For each function of interest and a protein, we predict the probability that the protein has that function using Bayesian approaches. Unlike in other available approaches for protein annotation where a protein has or does not have a function of interest, we give a probability for having the function. This probability indicates how confident we are about the prediction. We apply our method to predict cellular functions (43 categories including a category "others") for yeast proteins defined in the Yeast Proteome Database, using the protein-protein interaction data from the Munich Information Center for Protein Sequences. We show that our approach outperforms other available methods for function prediction based on protein interaction data.
8315237
Local Lazy Regression: Making Use of the Neighborhood to Improve QSAR Predictions
Traditional quantitative structure-activity relationship (QSAR) models aim to capture global structure-activity trends present in a data set. In many situations, there may be groups of molecules which exhibit a specific set of features which relate to their activity or inactivity. Such a group of features can be said to represent a local structure-activity relationship. Traditional QSAR models may not recognize such local relationships. In this work, we investigate the use of local lazy regression (LLR), which obtains a prediction for a query molecule using its local neighborhood, rather than considering the whole data set. This modeling approach is especially useful for very large data sets because no a priori model need be built. We applied the technique to three biological data sets. In the first case, the root-mean-square error (RMSE) for an external prediction set was 0.94 log units versus 0.92 log units for the global model. However, LLR was able to characterize a specific group of anomalous molecules with much better accuracy (0.64 log units versus 0.70 log units for the global model). For the second data set, the LLR technique resulted in a decrease in RMSE from 0.36 log units to 0.31 log units for the external prediction set. In the third case, we obtained an RMSE of 2.01 log units versus 2.16 log units for the global model. In all cases, LLR led to a few observations being poorly predicted compared to the global model. We present an analysis of why this was observed and possible improvements to the local regression approach.
2822926
Sorting with Fixed-length Reversals
Abstract A popular puzzle TOP-SPIN consists of a permutation of 20 numbered disks on an oval track, with a turnstile capable of reversing a string of 4 consecutive disks. The goal is to sort the disks into identity permutation using reversals. We consider the more general case of sorting n element permutations with a turnstile of size k. The problem of computing the reversal distances is of considerable importance in reconstructing the evolutionary history of the genome. The minimum reversal sequence sorting the one genome to another corresponds to the most likely evolutionary path between them. We give a complete solution for all n and k, of the number of equivalence classes of n-permutations under k-reversal, for both permutations and circular permutations. We also prove the upper and lower bounds on the reversal distances between two permutations.
10712046
Algorithms for identifying protein cross-links via tandem mass spectrometry
Cross-linking technology combined with tandem mass spectrometry (MS-MS) is a powerful method that provides a rapid solution to the discovery of protein-protein interactions and protein structures. We studied the problem of detecting cross-linked peptides and cross-linked amino acids from tandem mass spectral data. Our method consists of two steps: the first step finds two protein subsequences whose mass sum equals a given mass measured from the mass spectrometry; and the second step finds the best cross-linked amino acids in these two peptide sequences that are optimally correlated to a given tandem mass spectrum. We designed fast and space-efficient algorithms for these two steps, and implemented and tested them on experimental data of cross-linked Hemoglobin proteins.
2057857
Gene-finding via tandem mass spectrometry
We propose a new gene-finding methodology that combines high performance liquid chromatograph (HPLC)-tandem mass spectrometry experiments with a fast computer algorithm to locate coding regions and introns. Proteins are first extracted from cells and digested by enzymes, and then the resulting peptides are separated and analyzed by HPLC-tandem mass spectrometry. We designed an algorithm to find DNA coding sequences, corresponding to open reading frames (ORF), in the genome such that their translated amino acid sequences are optimally correlated with these tandem mass spectra. In this algorithm, we also allow one gap, corresponding to an intron, between two DNA coding sequences, such that their concatenation becomes one coding sequence. Finally, the algorithm assembles these candidate coding sequences and introns into gene structures. Our algorithm was implemented to predict genes on 4 contigs with a total of 123 kbps using two sets of simulated digestion- HPLC-tandem mass spectrometry data of 2523 Caenorhabditis elegans Chromosome IV proteins, digested by trypsin and Asp-N respectively. Among 15 annotated genes in the forward strand, all 98 exons are hit by the predicted no-gap coding sequences, and 60 out of 83 introns are correctly predicted. We also tested gene structure prediction in a contig containing 3 genes. Combining splicing site predictions with predicted coding sequences and introns, we found all 3 gene structures.
18209709
Mesostructure from Specularity
We describe a simple and robust method for surface mesostructure acquisition. Our method builds on the observation that specular reflection is a reliable visual cue for surface mesostructure perception. In contrast to most photometric stereo methods, which take specularities as outliers and discard them, we propose a progressive acquisition system that captures a dense specularity field as the only information for mesostructure reconstruction. Our method can efficiently recover surfaces with fine-scale geometric details from complex real-world objects with a wide variety of reflection properties, including translucent, low albedo, and highly specular objects. We show results for a variety of objects including human skin, dried apricot, orange, jelly candy, black leather and dark chocolate.
28566545
A new heuristic for test suite reduction
Abstract A testing objective has to be defined in testing a program. A test suite is then constructed to satisfy the testing objective. The constructed test suite contains redundancy when some of its proper subsets can still satisfy the same testing objective. Since the costs of executing test cases and maintaining a test suite for regression testing may be expensive, the problem of test suite reduction arises. This paper proposes a heuristic towards the optimization of a test suite.
7346212
Skewed Data Partition and Alignment Techniques for Compiling Programs on Distributed Memory Multicomputers
Minimizing data communication over processors is the key to compile programs for distributed memory multicomputers. In this paper, we propose new data partition and alignment techniques for partitioning and aligning data arrays with a program in a way of minimizing communication over processors. We use skewed alignment instead of the dimension-ordered alignment techniques to align data arrays. By developing the skewed scheme, we can solve more complex programs with minimized data communication than that of the dimension-ordered scheme. Finally, we compare the proposed scheme with the dimension-ordered alignment one by experimental results. The experimental results show that our proposed scheme has more opportunities to align data arrays such that data communications over processors can be minimized.
31267474
Skewed Data Partition and Alignment Techniques for Compiling Programs on Distributed Memory Multicomputers
Minimizing data communication over processors is the key to compile programs for distributed memory multicomputers. In this paper, we propose new data partition and alignment techniques for partitioning and aligning data arrays with a program in a way of minimizing communication over processors. We use skewed alignment instead of the dimension-ordered alignment techniques to align data arrays. By developing the skewed scheme, we can solve more complex programs with minimized data communication than that of the dimension-ordered scheme. Finally, the experimental results show that our proposed scheme has more opportunities to align data arrays such that data communications over processors can be minimized.
5876317
Framework of performance evaluation for mobile process based on mobile ambient
Formal methodology for distributed and concurrent system, especially computation system with mobility, is increasingly important both in the theory and the practice. Based on the calculus of mobile ambient (MA), a widely studied formal mechanism for mobile computation, this paper focuses on the quantitative analysis of mobile computation system and provides a framework of performance evaluation for it. In details, this paper introduces an enhanced labelled transition system as the system model, and assigns rate to each label through so-called cost function. Based on it, the labelled transition system can be mapped to continuous time Markov chains and thus performance evaluation can be carried out by standard numerical techniques and tools. In some sense the main work of this paper can be regarded as integrating behavior and performance analysis in a compositional formal framework, which provides some basis of unified formal methodology for the development of mobile system.