1,595 research outputs found
Subsequence-based feature map for protein function classification
Automated classification of proteins is indispensable for further in vivo investigation of excessive number of unknown sequences generated by large scale molecular biology techniques. This study describes a discriminative system based on feature space mapping, called subsequence profile map (SPMap) for functional classification of protein sequences. SPMap takes into account the information coming from the subsequences of a protein. A group of protein sequences that belong to the same level of classification is decomposed into fixed-length subsequences and they are clustered to obtain a representative feature space mapping. Mapping is defined as the distribution of the subsequences of a protein sequence over these clusters. The resulting feature space representation is used to train discriminative classifiers for functional families. The aim of this approach is to incorporate information coming from important subregions that are conserved over a family of proteins while avoiding the difficult task of explicit motif identification. The performance of the method was assessed through tests on various protein classification tasks. Our results showed that SPMap is capable of high accuracy classification in most of these tasks. Furthermore SPMap is fast and scalable enough to handle large datasets. © 2007 Elsevier Ltd. All rights reserved
Bounded Coordinate-Descent for Biological Sequence Classification in High Dimensional Predictor Space
We present a framework for discriminative sequence classification where the
learner works directly in the high dimensional predictor space of all
subsequences in the training set. This is possible by employing a new
coordinate-descent algorithm coupled with bounding the magnitude of the
gradient for selecting discriminative subsequences fast. We characterize the
loss functions for which our generic learning algorithm can be applied and
present concrete implementations for logistic regression (binomial
log-likelihood loss) and support vector machines (squared hinge loss).
Application of our algorithm to protein remote homology detection and remote
fold recognition results in performance comparable to that of state-of-the-art
methods (e.g., kernel support vector machines). Unlike state-of-the-art
classifiers, the resulting classification models are simply lists of weighted
discriminative subsequences and can thus be interpreted and related to the
biological problem
MISSEL: a method to identify a large number of small species-specific genomic subsequences and its application to viruses classification
Continuous improvements in next generation sequencing technologies led to ever-increasing collections of genomic sequences, which have not been easily characterized by biologists, and whose analysis requires huge computational effort. The classification of species emerged as one of the main applications of DNA analysis and has been addressed with several approaches, e.g., multiple alignments-, phylogenetic trees-, statistical- and character-based methods
Multi-task Deep Neural Networks in Automated Protein Function Prediction
In recent years, deep learning algorithms have outperformed the state-of-the
art methods in several areas thanks to the efficient methods for training and
for preventing overfitting, advancement in computer hardware, the availability
of vast amount data. The high performance of multi-task deep neural networks in
drug discovery has attracted the attention to deep learning algorithms in
bioinformatics area. Here, we proposed a hierarchical multi-task deep neural
network architecture based on Gene Ontology (GO) terms as a solution to protein
function prediction problem and investigated various aspects of the proposed
architecture by performing several experiments. First, we showed that there is
a positive correlation between performance of the system and the size of
training datasets. Second, we investigated whether the level of GO terms on GO
hierarchy related to their performance. We showed that there is no relation
between the depth of GO terms on GO hierarchy and their performance. In
addition, we included all annotations to the training of a set of GO terms to
investigate whether including noisy data to the training datasets change the
performance of the system. The results showed that including less reliable
annotations in training of deep neural networks increased the performance of
the low performed GO terms, significantly. We evaluated the performance of the
system using hierarchical evaluation method. Mathews correlation coefficient
was calculated as 0.75, 0.49 and 0.63 for molecular function, biological
process and cellular component categories, respectively. We showed that deep
learning algorithms have a great potential in protein function prediction area.
We plan to further improve the DEEPred by including other types of annotations
from various biological data sources. We plan to construct DEEPred as an open
access online tool.Comment: 19 pages, 4 figures, 4 table
Exact and efficient top-K inference for multi-target prediction by querying separable linear relational models
Many complex multi-target prediction problems that concern large target
spaces are characterised by a need for efficient prediction strategies that
avoid the computation of predictions for all targets explicitly. Examples of
such problems emerge in several subfields of machine learning, such as
collaborative filtering, multi-label classification, dyadic prediction and
biological network inference. In this article we analyse efficient and exact
algorithms for computing the top- predictions in the above problem settings,
using a general class of models that we refer to as separable linear relational
models. We show how to use those inference algorithms, which are modifications
of well-known information retrieval methods, in a variety of machine learning
settings. Furthermore, we study the possibility of scoring items incompletely,
while still retaining an exact top-K retrieval. Experimental results in several
application domains reveal that the so-called threshold algorithm is very
scalable, performing often many orders of magnitude more efficiently than the
naive approach
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Adaptations of Escherichia coli strains to oxidative stress are reflected in properties of their structural proteomes.
BACKGROUND:The reconstruction of metabolic networks and the three-dimensional coverage of protein structures have reached the genome-scale in the widely studied Escherichia coli K-12 MG1655 strain. The combination of the two leads to the formation of a structural systems biology framework, which we have used to analyze differences between the reactive oxygen species (ROS) sensitivity of the proteomes of sequenced strains of E. coli. As proteins are one of the main targets of oxidative damage, understanding how the genetic changes of different strains of a species relates to its oxidative environment can reveal hypotheses as to why these variations arise and suggest directions of future experimental work. RESULTS:Creating a reference structural proteome for E. coli allows us to comprehensively map genetic changes in 1764 different strains to their locations on 4118 3D protein structures. We use metabolic modeling to predict basal ROS production levels (ROStype) for 695 of these strains, finding that strains with both higher and lower basal levels tend to enrich their proteomes with antioxidative properties, and speculate as to why that is. We computationally assess a strain's sensitivity to an oxidative environment, based on known chemical mechanisms of oxidative damage to protein groups, defined by their localization and functionality. Two general groups - metalloproteins and periplasmic proteins - show enrichment of their antioxidative properties between the 695 strains with a predicted ROStype as well as 116 strains with an assigned pathotype. Specifically, proteins that a) utilize a molybdenum ion as a cofactor and b) are involved in the biogenesis of fimbriae show intriguing protective properties to resist oxidative damage. Overall, these findings indicate that a strain's sensitivity to oxidative damage can be elucidated from the structural proteome, though future experimental work is needed to validate our model assumptions and findings. CONCLUSION:We thus demonstrate that structural systems biology enables a proteome-wide, computational assessment of changes to atomic-level physicochemical properties and of oxidative damage mechanisms for multiple strains in a species. This integrative approach opens new avenues to study adaptation to a particular environment based on physiological properties predicted from sequence alone
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