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PubMed1987

[Methodological bases for the control of competition in research in medical radiology].

One of the problems of raising the efficacy and acceleration of investigations and developments under the conditions of scientific technical progress is competitive power of products and technologies. The problem is especially acute in international economic cooperation when one must choose an object of license and lines of research promoting its development. The existing mechanisms of control do not ensure reliable solution of this problem and need to be improved. The paper is concerned with the consideration of routine approaches to control of competitive power; new mechanisms based on algorithmic methods using a clustering analysis of patent and scientific medical information have been proposed. The author shows a possibility of building up the functional structure of research pursued in one or several institutions involved in the development of a multipurpose problem, and the choice of directions of research, among them potential objects for license sale and concluding an agreement of international cooperation on a contract basis.

Economic Competition↗
PubMed1987

Comparison of Flavobacterium and Sphingobacterium species by enzyme profiles, with use of pattern recognition of two-dimensional fluorescence data.

Enzyme profiles of eight Flavobacterium species and one Sphingobacterium species were compared after using a two-dimensional fluorescence technique. Enzyme contents and corresponding activities were rapidly determined for whole-cell preparations after incubation with a mixture of preselected fluorogenic substrates. A two-dimensional fluorescence spectrum of the resulting product mixture, measured with a video fluorometer, provided a characteristic "fingerprint" for each organism. Comparison of fluorescent spectra was facilitated by a Fourier-transform-based pattern-recognition algorithm and by a clustering technique involving the Pearson product-moment correlation coefficient. F. multivorum, F. thalpophilum, and S. mizutae formed one cluster; F. indologenes, F. spiritivorum, F. odoratum, and F. balustinum formed a second. F. meningosepticum was intermediate between the first and second cluster, whereas F. breve was different from all other strains examined, based on their spectral dissimilarity indices and correlation coefficients.

Flavobacterium↗
PubMed2003

Modes and clustering for time-warped gene expression profile data.

MOTIVATION: The study of the dynamics of regulatory processes has led to increased interest for the analysis of temporal gene expression level data. To address the dynamics of regulation, expression data are collected repeatedly over time. It is difficult to statistically represent the resulting high-dimensional data. When regulatory processes determine gene expression, time-warping is likely to be present, i.e. the sample of gene expression trajectories reflects variation not only in terms of the expression amplitudes, but also in terms of the temporal structure of gene expression. RESULTS: A non-parametric time-synchronized iterative mean updating technique is proposed to find an overall representation that corresponds to a mode of a sample of expression profiles, viewed as a random sample in function space. The proposed algorithm explores the application of previous work of Hall and Heckman to genome-wide expression data and provides an extension that includes random time-warping with the aim to synchronize timescales across genes. The proposed algorithm is universally applicable for the construction of modes for functional data with time-warping. We demonstrate the construction of mode functions for a sample of Drosophila gene expression data. The algorithm can be applied to define clusters among the observed trajectories of gene expression, without any kind of prior non-time-warped clustering, as illustrated in the numerical example.

Adaptation, Physiological↗
PubMed1999

Large-scale clustering of cDNA-fingerprinting data.

Clustering is one of the main mathematical challenges in large-scale gene expression analysis. We describe a clustering procedure based on a sequential k-means algorithm with additional refinements that is able to handle high-throughput data in the order of hundreds of thousands of data items measured on hundreds of variables. The practical motivation for our algorithm is oligonucleotide fingerprinting-a method for simultaneous determination of expression level for every active gene of a specific tissue-although the algorithm can be applied as well to other large-scale projects like EST clustering and qualitative clustering of DNA-chip data. As a pairwise similarity measure between two p-dimensional data points, x and y, we introduce mutual information that can be interpreted as the amount of information about x in y, and vice versa. We show that for our purposes this measure is superior to commonly used metric distances, for example, Euclidean distance. We also introduce a modified version of mutual information as a novel method for validating clustering results when the true clustering is known. The performance of our algorithm with respect to experimental noise is shown by extensive simulation studies. The algorithm is tested on a subset of 2029 cDNA clones coming from 15 different genes from a cDNA library derived from human dendritic cells. Furthermore, the clustering of these 2029 cDNA clones is demonstrated when the entire set of 76,032 cDNA clones is processed.

Algorithms↗
PubMed1998

A map of the protein space--an automatic hierarchical classification of all protein sequences.

We investigate the space of all protein sequences. We combine the standard measures of similarity (SW, FASTA, BLAST), to associate with each sequence an exhaustive list of neighboring sequences. These lists induce a (weighted directed) graph whose vertices are the sequences. The weight of an edge connecting two sequences represents their degree of similarity. This graph encodes much of the fundamental properties of the sequence space. We look for clusters of related proteins in this graph. These clusters correspond to strongly connected sets of vertices. Two main ideas underlie our work: i) Interesting homologies among proteins can be deduced by transitivity. ii) Transitivity should be applied restrictively in order to prevent unrelated proteins from clustering together. Our analysis starts from a very conservative classification, based on very significant similarities, that has many classes. Subsequently, classes are merged to include less significant similarities. Merging is performed via a novel two phase algorithm. First, the algorithm identifies groups of possibly related clusters (based on transitivity and strong connectivity) using local considerations, and merges them. Then, a global test is applied to identify nuclei of strong relationships within these groups of clusters, and the classification is refined accordingly. This process takes place at varying thresholds of statistical significance, where at each step the algorithm is applied on the classes of the previous classification, to obtain the next one, at the more permissive threshold. Consequently, a hierarchical organization of all proteins is obtained. The resulting classification splits the space of all protein sequences into well defined groups of proteins. The results show that the automatically induced sets of proteins are closely correlated with natural biological families and super families. The hierarchical organization reveals finer sub-families that make up known families of proteins as well as many interesting relations between protein families. The hierarchical organization proposed may be considered as the first map of the space of all protein sequences. An interactive web site including the results of our analysis has been constructed, and is now accessible through http:/(/)www.protomap.cs.huji.ac.il

Algorithms↗
PubMed2004

Permutation pattern discovery in biosequences.

Functionally related genes often appear in each other's neighborhood on the genome; however, the order of the genes may not be the same. These groups or clusters of genes may have an ancient evolutionary origin or may signify some other critical phenomenon and may also aid in function prediction of genes. Such gene clusters also aid toward solving the problem of local alignment of genes. Similarly, clusters of protein domains, albeit appearing in different orders in the protein sequence, suggest common functionality in spite of being nonhomologous. In the paper, we address the problem of automatically discovering clusters of entities, be they genes or domains: we formalize the abstract problem as a discovery problem called the (pi)pattern problem and give an algorithm that automatically discovers the clusters of patterns in multiple data sequences. We take a model-less approach and introduce a notation for maximal patterns that drastically reduces the number of valid cluster patterns, without any loss of information, We demonstrate the automatic pattern discovery tool on motifs on E. Coli protein sequences.

Algorithms↗
PubMed2005

Haplotype assembly from aligned weighted SNP fragments.

Given an assembled genome of a diploid organism the haplotype assembly problem can be formulated as retrieval of a pair of haplotypes from a set of aligned weighted SNP fragments. Known computational formulations (models) of this problem are minimum letter flips (MLF) and the weighted minimum letter flips (WMLF; Greenberg et al. (INFORMS J. Comput. 2004, 14, 211-213)). In this paper we show that the general WMLF model is NP-hard even for the gapless case. However the algorithmic solutions for selected variants of WMFL can exist and we propose a heuristic algorithm based on a dynamic clustering technique. We also introduce a new formulation of the haplotype assembly problem that we call COMPLETE WMLF (CWMLF). This model and algorithms for its implementation take into account a simultaneous presence of multiple kinds of data errors. Extensive computational experiments indicate that the algorithmic implementations of the CWMLF model achieve higher accuracy of haplotype reconstruction than the WMLF-based algorithms, which in turn appear to be more accurate than those based on MLF.

Algorithms↗
PubMed2005

Fuzzy c-means clustering with spatial information for image segmentation.

A conventional FCM algorithm does not fully utilize the spatial information in the image. In this paper, we present a fuzzy c-means (FCM) algorithm that incorporates spatial information into the membership function for clustering. The spatial function is the summation of the membership function in the neighborhood of each pixel under consideration. The advantages of the new method are the following: (1) it yields regions more homogeneous than those of other methods, (2) it reduces the spurious blobs, (3) it removes noisy spots, and (4) it is less sensitive to noise than other techniques. This technique is a powerful method for noisy image segmentation and works for both single and multiple-feature data with spatial information.

Algorithms↗
PubMed2006

AClAP, Autonomous hierarchical agglomerative Cluster Analysis based protocol to partition conformational datasets.

MOTIVATION: Sampling the conformational space is a fundamental step for both ligand- and structure-based drug design. However, the rational organization of different molecular conformations still remains a challenge. In fact, for drug design applications, the sampling process provides a redundant conformation set whose thorough analysis can be intensive, or even prohibitive. We propose a statistical approach based on cluster analysis aimed at rationalizing the output of methods such as Monte Carlo, genetic, and reconstruction algorithms. Although some software already implements clustering procedures, at present, a universally accepted protocol is still missing. RESULTS: We integrated hierarchical agglomerative cluster analysis with a clusterability assessment method and a user independent cutting rule, to form a global protocol that we implemented in a MATLAB metalanguage program (AClAP). We tested it on the conformational space of a quite diverse set of drugs generated via Metropolis Monte Carlo simulation, and on the poses we obtained by reiterated docking runs performed by four widespread programs. In our tests, AClAP proved to remarkably reduce the dimensionality of the original datasets at a negligible computational cost. Moreover, when applied to the outcomes of many docking programs together, it was able to point to the crystallographic pose. AVAILABILITY: AClAP is available at the "AClAP" section of the website http://www.scfarm.unibo.it.

Algorithms↗
PubMed2005

Finding groups in gene expression data.

The vast potential of the genomic insight offered by microarray technologies has led to their widespread use since they were introduced a decade ago. Application areas include gene function discovery, disease diagnosis, and inferring regulatory networks. Microarray experiments enable large-scale, high-throughput investigations of gene activity and have thus provided the data analyst with a distinctive, high-dimensional field of study. Many questions in this field relate to finding subgroups of data profiles which are very similar. A popular type of exploratory tool for finding subgroups is cluster analysis, and many different flavors of algorithms have been used and indeed tailored for microarray data. Cluster analysis, however, implies a partitioning of the entire data set, and this does not always match the objective. Sometimes pattern discovery or bump hunting tools are more appropriate. This paper reviews these various tools for finding interesting subgroups.

Journal Article↗
PubMed2002

Application of the development stages of a cluster randomized trial to a framework for valuating complex health interventions.

INTRODUCTION: Trials of complex health interventions often pose difficult methodologic challenges. The objective of this paper is to assess the extent to which the various development steps of a cluster randomized trial to optimize antibiotic use in nursing homes are represented in a recently published framework for the design and evaluation of complex health interventions. In so doing, the utility of the framework for health services researchers is evaluated. METHODS: Using the five phases of the framework (theoretical, identification of components of the intervention, definition of trial and intervention design, methodological issues for main trial, promoting effective implementation), corresponding stages in the development of the cluster randomized trial using diagnostic and treatment algorithms to optimize the use of antibiotics in nursing homes are identified and described. RESULTS: Synthesis of evidence needed to construct the algorithms, survey and qualitative research used to define components of the algorithms, a pilot study to assess the feasibility of delivering the algorithms, methodological issues in the main trial including choice of design, allocation concealment, outcomes, sample size calculation, and analysis are adequately represented using the stages of the framework. CONCLUSIONS: The framework is a useful resource for researchers planning a randomized clinical trial of a complex intervention.

Aged↗
PubMed2003

Visually lossless threshold determination for microcalcification detection in wavelet compressed mammograms.

The aim of this study was to determine the visually lossless threshold of a wavelet-based compression algorithm in case of microcalcification cluster detection in mammography. The threshold was determined by means of observer performance using a set of digitized mammograms. In addition, the transfer characteristics of the compression algorithm were assessed by means of image-quality parameters using computer-generated test images. The observer performance study was based on rating performed by four independent radiologists, who reviewed 68 mammograms, from the Digital Database for Screening Mammography (DDSM), at six different compression ratios. Receiver operating characteristics (ROC) analysis was performed on observers' responses and the area under ROC curve (A(z)) was calculated at each compression ratio for each observer. The parameters used for assessment of transfer characteristics of the compression algorithm were input/output response, noise, high-contrast response, and low-contrast-detail response. The computer-generated test image, used for this assessment, mimicked mammographic image characteristics (pixel size, pixel depth, and noise) as well as microcalcification characteristics (size and contrast). The ROC analysis for microcalcification cluster detection indicated a threshold at compression ratio 40:1, as Student's t-test shows statistically significant differences in A(z) values (p<0.05) for compression ratios 70:1 and 100:1. Observers' grading of mammogram quality lowers this threshold at 25:1. Low-contrast-detail detectability in the transfer characteristics study indicate a threshold of 35:1, whereas non-perceptibility of image-quality-parameters degradation lowers this threshold to 30:1. The ROC and transfer characteristics analysis provided comparable thresholds, indicating the potential use of the latter in limiting the target range of compression ratios for subsequent observer studies.

Aged↗
PubMedDate not supplied

Delineation and quantitation of brain lesions by fuzzy clustering in positron emission tomography.

In this study, we investigate the application of the fuzzy clustering to the anatomical localization and quantitation of brain lesions in Positron Emission Tomography (PET) images. The method is based on the Fuzzy C-Means (FCM) algorithm. The algorithm segments the PET image data points into a given number of clusters. Each cluster is an homogeneous region of the brain (e.g. tumor). A feature vector is assigned to a cluster which has the highest membership degree. Having the label affected by the FCM algorithm to a cluster, one may easily compute the corresponding spatial localization, area and perimeter. Studies concerning the evolution of a tumor after different treatments in two patients are presented.

Algorithms↗
PubMed1995

Middle-range clustering of nucleotides in genomes.

We propose a novel, transparent and very simple algorithm to analyze middle-range correlations in genomic nucleotide sequences. Analysis by this algorithm of the EMBL Nucleotide Sequence Database demonstrates that all four nucleotides cluster in the genomic nucleotide sequences of eukaryotes on the scale of several hundred base pairs. In prokaryotes, the clustering is weak but still evident. The non-dominant three bases are deficient in the clusters, while A is the most deficient nucleotide in the clusters of C, and vice versa, and G is the most deficient nucleotide in the clusters of T, and vice versa. The algorithm also detects CG islands, extending over 1 kb, in vertebrate sequences. In plants, the CG islands are shown to be much smaller, if they exist at all. A clustering tendency is also exhibited by the TA doublet. Other doublets do not cluster. We observe no strong correlation between nucleotides separated in genomes by > 1 kb.

Algorithms↗
PubMed2006

Automated DNA sequence-based early warning system for the detection of methicillin-resistant Staphylococcus aureus outbreaks.

BACKGROUND: The detection of methicillin-resistant Staphylococcus aureus (MRSA) usually requires the implementation of often rigorous infection-control measures. Prompt identification of an MRSA epidemic is crucial for the control of an outbreak. In this study we evaluated various early warning algorithms for the detection of an MRSA cluster. METHODS AND FINDINGS: Between 1998 and 2003, 557 non-replicate MRSA strains were collected from staff and patients admitted to a German tertiary-care university hospital. The repeat region of the S. aureus protein A (spa) gene in each of these strains was sequenced. Using epidemiological and typing information for the period 1998-2002 as reference data, clusters in 2003 were determined by temporal-scan test statistics. Various early warning algorithms (frequency, clonal, and infection control professionals [ICP] alerts) were tested in a prospective analysis for the year 2003. In addition, a newly implemented automated clonal alert system of the Ridom StaphType software was evaluated. A total of 549 of 557 MRSA were typeable using spa sequencing. When analyzed using scan test statistics, 42 out of 175 MRSA in 2003 formed 13 significant clusters (p < 0.05). These clusters were used as the "gold standard" to evaluate the various algorithms. Clonal alerts (spa typing and epidemiological data) were 100% sensitive and 95.2% specific. Frequency (epidemiological data only) and ICP alerts were 100% and 62.1% sensitive and 47.2% and 97.3% specific, respectively. The difference in specificity between clonal and ICP alerts was not significant. Both methods exhibited a positive predictive value above 80%. CONCLUSIONS: Rapid MRSA outbreak detection, based on epidemiological and spa typing data, is a suitable alternative for classical approaches and can assist in the identification of potential sources of infection.

Algorithms↗
PubMed2005

Graph edit distance from spectral seriation.

This paper is concerned with computing graph edit distance. One of the criticisms that can be leveled at existing methods for computing graph edit distance is that they lack some of the formality and rigor of the computation of string edit distance. Hence, our aim is to convert graphs to string sequences so that string matching techniques can be used. To do this, we use a graph spectral seriation method to convert the adjacency matrix into a string or sequence order. We show how the serial ordering can be established using the leading eigenvector of the graph adjacency matrix. We pose the problem of graph-matching as a maximum a posteriori probability (MAP) alignment of the seriation sequences for pairs of graphs. This treatment leads to an expression in which the edit cost is the negative logarithm of the a posteriori sequence alignment probability. We compute the edit distance by finding the sequence of string edit operations which minimizes the cost of the path traversing the edit lattice. The edit costs are determined by the components of the leading eigenvectors of the adjacency matrix and by the edge densities of the graphs being matched. We demonstrate the utility of the edit distance on a number of graph clustering problems.

Algorithms↗
PubMed2004

A low-density cDNA microarray with a unique reference RNA: pattern recognition analysis for IFN efficacy prediction to HCV as a model.

We have designed and established a low-density (295 genes) cDNA microarray for the prediction of IFN efficacy in hepatitis C patients. To obtain a precise and consistent microarray data, we collected a data set from three spots for each gene (mRNA) and using three different scanning conditions. We also established an artificial reference RNA representing pseudo-inflammatory conditions from established hepatocyte cell lines supplemented with synthetic RNAs to 48 inflammatory genes. We also developed a novel algorithm that replaces the standard hierarchical-clustering method and allows handling of the large data set with ease. This algorithm utilizes a standard space database (SSDB) as a key scale to calculate the Mahalanobis distance (MD) from the center of gravity in the SSDB. We further utilized sMD (divided by parameter k: MD/k) to reduce MD number as a predictive value. The efficacy prediction of conventional IFN mono-therapy was 100% for non-responder (NR) vs. transient responder (TR)/sustained responder (SR) (P < 0.0005). Finally, we show that this method is acceptable for clinical application.

Algorithms↗