1,624 research outputs found
A New Quartet Tree Heuristic for Hierarchical Clustering
We consider the problem of constructing an an optimal-weight tree from the
3*(n choose 4) weighted quartet topologies on n objects, where optimality means
that the summed weight of the embedded quartet topologiesis optimal (so it can
be the case that the optimal tree embeds all quartets as non-optimal
topologies). We present a heuristic for reconstructing the optimal-weight tree,
and a canonical manner to derive the quartet-topology weights from a given
distance matrix. The method repeatedly transforms a bifurcating tree, with all
objects involved as leaves, achieving a monotonic approximation to the exact
single globally optimal tree. This contrasts to other heuristic search methods
from biological phylogeny, like DNAML or quartet puzzling, which, repeatedly,
incrementally construct a solution from a random order of objects, and
subsequently add agreement values.Comment: 22 pages, 14 figure
Clustering by compression
We present a new method for clustering based on compression. The method
doesn't use subject-specific features or background knowledge, and works as
follows: First, we determine a universal similarity distance, the normalized
compression distance or NCD, computed from the lengths of compressed data files
(singly and in pairwise concatenation). Second, we apply a hierarchical
clustering method. The NCD is universal in that it is not restricted to a
specific application area, and works across application area boundaries. A
theoretical precursor, the normalized information distance, co-developed by one
of the authors, is provably optimal but uses the non-computable notion of
Kolmogorov complexity. We propose precise notions of similarity metric, normal
compressor, and show that the NCD based on a normal compressor is a similarity
metric that approximates universality. To extract a hierarchy of clusters from
the distance matrix, we determine a dendrogram (binary tree) by a new quartet
method and a fast heuristic to implement it. The method is implemented and
available as public software, and is robust under choice of different
compressors. To substantiate our claims of universality and robustness, we
report evidence of successful application in areas as diverse as genomics,
virology, languages, literature, music, handwritten digits, astronomy, and
combinations of objects from completely different domains, using statistical,
dictionary, and block sorting compressors. In genomics we presented new
evidence for major questions in Mammalian evolution, based on
whole-mitochondrial genomic analysis: the Eutherian orders and the Marsupionta
hypothesis against the Theria hypothesis.Comment: LaTeX, 27 pages, 20 figure
Evaluation of phylogenetic reconstruction methods using bacterial whole genomes: a simulation based study
Background: Phylogenetic reconstruction is a necessary first step in many analyses which use whole genome sequence data from bacterial populations. There are many available methods to infer phylogenies, and these have various advantages and disadvantages, but few unbiased comparisons of the range of approaches have been made. Methods: We simulated data from a defined "true tree" using a realistic evolutionary model. We built phylogenies from this data using a range of methods, and compared reconstructed trees to the true tree using two measures, noting the computational time needed for different phylogenetic reconstructions. We also used real data from Streptococcus pneumoniae alignments to compare individual core gene trees to a core genome tree. Results: We found that, as expected, maximum likelihood trees from good quality alignments were the most accurate, but also the most computationally intensive. Using less accurate phylogenetic reconstruction methods, we were able to obtain results of comparable accuracy; we found that approximate results can rapidly be obtained using genetic distance based methods. In real data we found that highly conserved core genes, such as those involved in translation, gave an inaccurate tree topology, whereas genes involved in recombination events gave inaccurate branch lengths. We also show a tree-of-trees, relating the results of different phylogenetic reconstructions to each other. Conclusions: We recommend three approaches, depending on requirements for accuracy and computational time. Quicker approaches that do not perform full maximum likelihood optimisation may be useful for many analyses requiring a phylogeny, as generating a high quality input alignment is likely to be the major limiting factor of accurate tree topology. We have publicly released our simulated data and code to enable further comparisons
A conditional compression distance that unveils insights of the genomic evolution
We describe a compression-based distance for genomic sequences. Instead of
using the usual conjoint information content, as in the classical Normalized
Compression Distance (NCD), it uses the conditional information content. To
compute this Normalized Conditional Compression Distance (NCCD), we need a
normal conditional compressor, that we built using a mixture of static and
dynamic finite-context models. Using this approach, we measured chromosomal
distances between Hominidae primates and also between Muroidea (rat and mouse),
observing several insights of evolution that so far have not been reported in
the literature.Comment: Full version of DCC 2014 paper "A conditional compression distance
that unveils insights of the genomic evolution
A Fast Quartet Tree Heuristic for Hierarchical Clustering
The Minimum Quartet Tree Cost problem is to construct an optimal weight tree
from the weighted quartet topologies on objects, where
optimality means that the summed weight of the embedded quartet topologies is
optimal (so it can be the case that the optimal tree embeds all quartets as
nonoptimal topologies). We present a Monte Carlo heuristic, based on randomized
hill climbing, for approximating the optimal weight tree, given the quartet
topology weights. The method repeatedly transforms a dendrogram, with all
objects involved as leaves, achieving a monotonic approximation to the exact
single globally optimal tree. The problem and the solution heuristic has been
extensively used for general hierarchical clustering of nontree-like
(non-phylogeny) data in various domains and across domains with heterogeneous
data. We also present a greatly improved heuristic, reducing the running time
by a factor of order a thousand to ten thousand. All this is implemented and
available, as part of the CompLearn package. We compare performance and running
time of the original and improved versions with those of UPGMA, BioNJ, and NJ,
as implemented in the SplitsTree package on genomic data for which the latter
are optimized.
Keywords: Data and knowledge visualization, Pattern
matching--Clustering--Algorithms/Similarity measures, Hierarchical clustering,
Global optimization, Quartet tree, Randomized hill-climbing,Comment: LaTeX, 40 pages, 11 figures; this paper has substantial overlap with
arXiv:cs/0606048 in cs.D
The similarity metric
A new class of distances appropriate for measuring similarity relations
between sequences, say one type of similarity per distance, is studied. We
propose a new ``normalized information distance'', based on the noncomputable
notion of Kolmogorov complexity, and show that it is in this class and it
minorizes every computable distance in the class (that is, it is universal in
that it discovers all computable similarities). We demonstrate that it is a
metric and call it the {\em similarity metric}. This theory forms the
foundation for a new practical tool. To evidence generality and robustness we
give two distinctive applications in widely divergent areas using standard
compression programs like gzip and GenCompress. First, we compare whole
mitochondrial genomes and infer their evolutionary history. This results in a
first completely automatic computed whole mitochondrial phylogeny tree.
Secondly, we fully automatically compute the language tree of 52 different
languages.Comment: 13 pages, LaTex, 5 figures, Part of this work appeared in Proc. 14th
ACM-SIAM Symp. Discrete Algorithms, 2003. This is the final, corrected,
version to appear in IEEE Trans Inform. T
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EpiAlign: an alignment-based bioinformatic tool for comparing chromatin state sequences.
The availability of genome-wide epigenomic datasets enables in-depth studies of epigenetic modifications and their relationships with chromatin structures and gene expression. Various alignment tools have been developed to align nucleotide or protein sequences in order to identify structurally similar regions. However, there are currently no alignment methods specifically designed for comparing multi-track epigenomic signals and detecting common patterns that may explain functional or evolutionary similarities. We propose a new local alignment algorithm, EpiAlign, designed to compare chromatin state sequences learned from multi-track epigenomic signals and to identify locally aligned chromatin regions. EpiAlign is a dynamic programming algorithm that novelly incorporates varying lengths and frequencies of chromatin states. We demonstrate the efficacy of EpiAlign through extensive simulations and studies on the real data from the NIH Roadmap Epigenomics project. EpiAlign is able to extract recurrent chromatin state patterns along a single epigenome, and many of these patterns carry cell-type-specific characteristics. EpiAlign can also detect common chromatin state patterns across multiple epigenomes, and it will serve as a useful tool to group and distinguish epigenomic samples based on genome-wide or local chromatin state patterns
Sequence alignment, mutual information, and dissimilarity measures for constructing phylogenies
Existing sequence alignment algorithms use heuristic scoring schemes which
cannot be used as objective distance metrics. Therefore one relies on measures
like the p- or log-det distances, or makes explicit, and often simplistic,
assumptions about sequence evolution. Information theory provides an
alternative, in the form of mutual information (MI) which is, in principle, an
objective and model independent similarity measure. MI can be estimated by
concatenating and zipping sequences, yielding thereby the "normalized
compression distance". So far this has produced promising results, but with
uncontrolled errors. We describe a simple approach to get robust estimates of
MI from global pairwise alignments. Using standard alignment algorithms, this
gives for animal mitochondrial DNA estimates that are strikingly close to
estimates obtained from the alignment free methods mentioned above. Our main
result uses algorithmic (Kolmogorov) information theory, but we show that
similar results can also be obtained from Shannon theory. Due to the fact that
it is not additive, normalized compression distance is not an optimal metric
for phylogenetics, but we propose a simple modification that overcomes the
issue of additivity. We test several versions of our MI based distance measures
on a large number of randomly chosen quartets and demonstrate that they all
perform better than traditional measures like the Kimura or log-det (resp.
paralinear) distances. Even a simplified version based on single letter Shannon
entropies, which can be easily incorporated in existing software packages, gave
superior results throughout the entire animal kingdom. But we see the main
virtue of our approach in a more general way. For example, it can also help to
judge the relative merits of different alignment algorithms, by estimating the
significance of specific alignments.Comment: 19 pages + 16 pages of supplementary materia
Normalized Information Distance
The normalized information distance is a universal distance measure for
objects of all kinds. It is based on Kolmogorov complexity and thus
uncomputable, but there are ways to utilize it. First, compression algorithms
can be used to approximate the Kolmogorov complexity if the objects have a
string representation. Second, for names and abstract concepts, page count
statistics from the World Wide Web can be used. These practical realizations of
the normalized information distance can then be applied to machine learning
tasks, expecially clustering, to perform feature-free and parameter-free data
mining. This chapter discusses the theoretical foundations of the normalized
information distance and both practical realizations. It presents numerous
examples of successful real-world applications based on these distance
measures, ranging from bioinformatics to music clustering to machine
translation.Comment: 33 pages, 12 figures, pdf, in: Normalized information distance, in:
Information Theory and Statistical Learning, Eds. M. Dehmer, F.
Emmert-Streib, Springer-Verlag, New-York, To appea
Soft topographic map for clustering and classification of bacteria
In this work a new method for clustering and building a
topographic representation of a bacteria taxonomy is presented. The method is based on the analysis of stable parts of the genome, the so-called “housekeeping genes”. The proposed method generates topographic maps of the bacteria taxonomy, where relations among different
type strains can be visually inspected and verified. Two well known DNA alignement algorithms are applied to the genomic sequences. Topographic maps are optimized to represent the similarity among the sequences according to their evolutionary distances. The experimental analysis is carried out on 147 type strains of the Gammaprotebacteria
class by means of the 16S rRNA housekeeping gene. Complete sequences of the gene have been retrieved from the NCBI public database. In the experimental tests the maps show clusters of homologous type strains and present some singular cases potentially due to incorrect classification
or erroneous annotations in the database
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