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PubMed2003

Nonlinear estimation and modeling of fMRI data using spatio-temporal support vector regression.

This paper presents a new and general nonlinear framework for fMRI data analysis based on statistical learning methodology: support vector machines. Unlike most current methods which assume a linear model for simplicity, the estimation and analysis of fMRI signal within the proposed framework is nonlinear, which matches recent findings on the dynamics underlying neural activity and hemodynamic physiology. The approach utilizes spatio-temporal support vector regression (SVR), within which the intrinsic spatio-temporal autocorrelations in fMRI data are reflected. The novel formulation of the problem allows merging model-driven with data-driven methods, and therefore unifies these two currently separate modes of fMRI analysis. In addition, multiresolution signal analysis is achieved and developed. Other advantages of the approach are: avoidance of interpolation after motion estimation, embedded removal of low-frequency noise components, and easy incorporation of multi-run, multi-subject, and multi-task studies into the framework.

Algorithms↗

PubMed2005

Generative topographic mapping applied to clustering and visualization of motor unit action potentials.

The identification and visualization of clusters formed by motor unit action potentials (MUAPs) is an essential step in investigations seeking to explain the control of the neuromuscular system. This work introduces the generative topographic mapping (GTM), a novel machine learning tool, for clustering of MUAPs, and also it extends the GTM technique to provide a way of visualizing MUAPs. The performance of GTM was compared to that of three other clustering methods: the self-organizing map (SOM), a Gaussian mixture model (GMM), and the neural-gas network (NGN). The results, based on the study of experimental MUAPs, showed that the rate of success of both GTM and SOM outperformed that of GMM and NGN, and also that GTM may in practice be used as a principled alternative to the SOM in the study of MUAPs. A visualization tool, which we called GTM grid, was devised for visualization of MUAPs lying in a high-dimensional space. The visualization provided by the GTM grid was compared to that obtained from principal component analysis (PCA).

Action Potentials↗

PubMed2004

Automated protein classification using consensus decision.

We propose a novel technique for automatically generating the SCOP classification of a protein structure with high accuracy. High accuracy is achieved by combining the decisions of multiple methods using the consensus of a committee (or an ensemble) classifier. Our technique is rooted in machine learning which shows that by judicially employing component classifiers, an ensemble classifier can be constructed to outperform its components. We use two sequence- and three structure-comparison tools as component classifiers. Given a protein structure, using the joint hypothesis, we first determine if the protein belongs to an existing category (family, superfamily, fold) in the SCOP hierarchy. For the proteins that are predicted as members of the existing categories, we compute their family-, superfamily-, and fold-level classifications using the consensus classifier. We show that we can significantly improve the classification accuracy compared to the individual component classifiers. In particular, we achieve error rates that are 3-12 times less than the individual classifiers' error rates at the family level, 1.5-4.5 times less at the superfamily level, and 1.1-2.4 times less at the fold level.

Algorithms↗

PubMed2005

BhairPred: prediction of beta-hairpins in a protein from multiple alignment information using ANN and SVM techniques.

This paper describes a method for predicting a supersecondary structural motif, beta-hairpins, in a protein sequence. The method was trained and tested on a set of 5102 hairpins and 5131 non-hairpins, obtained from a non-redundant dataset of 2880 proteins using the DSSP and PROMOTIF programs. Two machine-learning techniques, an artificial neural network (ANN) and a support vector machine (SVM), were used to predict beta-hairpins. An accuracy of 65.5% was achieved using ANN when an amino acid sequence was used as the input. The accuracy improved from 65.5 to 69.1% when evolutionary information (PSI-BLAST profile), observed secondary structure and surface accessibility were used as the inputs. The accuracy of the method further improved from 69.1 to 79.2% when the SVM was used for classification instead of the ANN. The performances of the methods developed were assessed in a test case, where predicted secondary structure and surface accessibility were used instead of the observed structure. The highest accuracy achieved by the SVM based method in the test case was 77.9%. A maximum accuracy of 71.1% with Matthew's correlation coefficient of 0.41 in the test case was obtained on a dataset previously used by X. Cruz, E. G. Hutchinson, A. Shephard and J. M. Thornton (2002) Proc. Natl Acad. Sci. USA, 99, 11157-11162. The performance of the method was also evaluated on proteins used in the '6th community-wide experiment on the critical assessment of techniques for protein structure prediction (CASP6)'. Based on the algorithm described, a web server, BhairPred (http://www.imtech.res.in/raghava/bhairpred/), has been developed, which can be used to predict beta-hairpins in a protein using the SVM approach.

Algorithms↗

PubMed2005

Decision tree based information integration for automated protein classification.

We propose a novel technique for automatically generating the SCOP classification of a protein structure with high accuracy. We achieve accurate classification by combining the decisions of multiple methods using the consensus of a committee (or an ensemble) classifier. Our technique, based on decision trees, is rooted in machine learning which shows that by judicially employing component classifiers, an ensemble classifier can be constructed to outperform its components. We use two sequence- and three structure-comparison tools as component classifiers. Given a protein structure and using the joint hypothesis, we first determine if the protein belongs to an existing category (family, superfamily, fold) in the SCOP hierarchy. For the proteins that are predicted as members of the existing categories, we compute their family-, superfamily-, and fold-level classifications using the consensus classifier. We show that we can significantly improve the classification accuracy compared to the individual component classifiers. In particular, we achieve error rates that are 3-12 times less than the individual classifiers' error rates at the family level, 1.5-4.5 times less at the superfamily level, and 1.1-2.4 times less at the fold level.

Algorithms↗

PubMed2003

Classification of clear-cell sarcoma as a subtype of melanoma by genomic profiling.

PURPOSE: To develop a genome-based classification scheme for clear-cell sarcoma (CCS), also known as melanoma of soft parts (MSP), which would have implications for diagnosis and treatment. This tumor displays characteristic features of soft tissue sarcoma (STS), including deep soft tissue primary location and a characteristic translocation, t(12;22)(q13;q12), involving EWS and ATF1 genes. CCS/MSP also has typical melanoma features, including immunoreactivity for S100 and HMB45, pigmentation, MITF-M expression, and a propensity for regional lymph node metastases. MATERIALS AND METHODS: RNA samples from 21 cell lines and 60 pathologically confirmed cases of STS, melanoma, and CCS/MSP were examined using the U95A GeneChip (Affymetrix, Santa Clara, CA). Hierarchical cluster analysis, principal component analysis, and support vector machine (SVM) analysis exploited genomic correlations within the data to classify CCS/MSP. RESULTS: Unsupervised analyses demonstrated a clear distinction between STS and melanoma and, furthermore, showed that CCS/MSP cluster with the melanomas as a distinct group. A supervised SVM learning approach further validated this finding and provided a user-independent approach to diagnosis. Genes of interest that discriminate CCS/MSP included those encoding melanocyte differentiation antigens, MITF, SOX10, ERBB3, and FGFR1. CONCLUSION: Gene expression profiles support the classification of CCS/MSP as a distinct genomic subtype of melanoma. Analysis of these gene profiles using the SVM may be an important diagnostic tool. Genomic analysis identified potential targets for the development of therapeutic strategies in the treatment of this disease.

Algorithms↗

PubMed2006

A computational approach toward label-free protein quantification using predicted peptide detectability.

We propose here a new concept of peptide detectability which could be an important factor in explaining the relationship between a protein's quantity and the peptides identified from it in a high-throughput proteomics experiment. We define peptide detectability as the probability of observing a peptide in a standard sample analyzed by a standard proteomics routine and argue that it is an intrinsic property of the peptide sequence and neighboring regions in the parent protein. To test this hypothesis we first used publicly available data and data from our own synthetic samples in which quantities of model proteins were controlled. We then applied machine learning approaches to demonstrate that peptide detectability can be predicted from its sequence and the neighboring regions in the parent protein with satisfactory accuracy. The utility of this approach for protein quantification is demonstrated by peptides with higher detectability generally being identified at lower concentrations over those with lower detectability in the synthetic protein mixtures. These results establish a direct link between protein concentration and peptide detectability. We show that for each protein there exists a level of peptide detectability above which peptides are detected and below which peptides are not detected in an experiment. We call this level the minimum acceptable detectability for identified peptides (MDIP) which can be calibrated to predict protein concentration. Triplicate analysis of a biological sample showed that these MDIP values are consistent among the three data sets.

Algorithms↗

PubMed2005

Spatial-temporal modeling of malware propagation in networks.

Network security is an important task of network management. One threat to network security is malware (malicious software) propagation. One type of malware is called topological scanning that spreads based on topology information. The focus of this work is on modeling the spread of topological malwares, which is important for understanding their potential damages, and for developing countermeasures to protect the network infrastructure. Our model is motivated by probabilistic graphs, which have been widely investigated in machine learning. We first use a graphical representation to abstract the propagation of malwares that employ different scanning methods. We then use a spatial-temporal random process to describe the statistical dependence of malware propagation in arbitrary topologies. As the spatial dependence is particularly difficult to characterize, the problem becomes how to use simple (i.e., biased) models to approximate the spatially dependent process. In particular, we propose the independent model and the Markov model as simple approximations. We conduct both theoretical analysis and extensive simulations on large networks using both real measurements and synthesized topologies to test the performance of the proposed models. Our results show that the independent model can capture temporal dependence and detailed topology information and, thus, outperforms the previous models, whereas the Markov model incorporates a certain spatial dependence and, thus, achieves a greater accuracy in characterizing both transient and equilibrium behaviors of malware propagation.

Algorithms↗

PubMed2002

Automated annotation of keywords for proteins related to mycoplasmataceae using machine learning techniques.

MOTIVATION: With the increase in submission of sequences to public databases, the curators of these are not able to cope with the amount of information. The motivation of this work is to generate a system for automated annotation of data we are particularly interested in, namely proteins related to the Mycoplasmataceae family. Following previous works on automatic annotation using symbolic machine learning techniques, the present work proposes a method of automatic annotation of keywords (a part of the SWISS-PROT annotation procedure), and the validation, by an expert, of the annotation rules generated. The aim of this procedure is twofold: to complete the annotation of keywords of those proteins which is far from adequate, and to produce a prototype of the validation environment, which is aimed at an expert who does not have a deep knowledge of the structure of the current databases containing the necessary information s/he needs. RESULTS: As for the first objective, a rate of correct keywords annotation of 60% is reported in the literature. Our preliminary results show that with a slightly different method, applied this method to data related to Mycoplasmataceae only, we are able to increase that rate of correct annotation.

Abstracting and Indexing↗

PubMed2025

AncestryGeni: a novel genetic ancestry classification pipeline for small and noisy sequence data.

MOTIVATION: Efforts to address health disparities are often limited by the lack of robust computational tools for inferring genetic ancestry by calculating an individual's genetic similarity to continental groups. We have already shown that a preferred alternative to self-described race is using ancestry-informative markers (AIMs) that can be classified into ancestral components and used to estimate their similarity to those of known populations to identify continental groups. However, real-world genomic data can present challenges, including limited availability of germline DNA, a small number of AIMs for each sample, and the use of different variant calling software, limiting the application of existing solutions. RESULTS: Here, we describe a novel supervised machine-learning tool AncestryGeni, which infers genetic ancestry for samples with even a hundred markers and is applicable to any genomic data, including whole exome sequencing (WES) and RNA sequencing (RNA-Seq) data. Applying AncestryGeni to a real-world genomic dataset obtained from the Multiple Myeloma Research Foundation (MMRF) CoMMpass study, we show that it is more accurate than the commonly used FastNGSadmix when using nonstandard genomic material. We also demonstrate that when using AncestryGeni, the tumor-derived sequence obtained from WES and RNA-Seq can be a robust data source to accurately estimate an individual's genetic similarity to a continental group. AVAILABILITY AND IMPLEMENTATION: AncestryGeni pipeline is available at https://github.com/eelhaik/AncestryGeni/tree/main.

Humans↗

PubMed2006

Prediction of protein structural classes using support vector machines.

The support vector machine, a machine-learning method, is used to predict the four structural classes, i.e. mainly alpha, mainly beta, alpha-beta and fss, from the topology-level of CATH protein structure database. For the binary classification, any two structural classes which do not share any secondary structure such as alpha and beta elements could be classified with as high as 90% accuracy. The accuracy, however, will decrease to less than 70% if the structural classes to be classified contain structure elements in common. Our study also shows that the dimensions of feature space 20(2) = 400 (for dipeptide) and 20(3) = 8 000 (for tripeptide) give nearly the same prediction accuracy. Among these 4 structural classes, multi-class classification gives an overall accuracy of about 52%, indicating that the multi-class classification technique in support of vector machines may still need to be further improved in future investigation.

Algorithms↗

PubMed2006

Recovering 3D human pose from monocular images.

We describe a learning-based method for recovering 3D human body pose from single images and monocular image sequences. Our approach requires neither an explicit body model nor prior labeling of body parts in the image. Instead, it recovers pose by direct nonlinear regression against shape descriptor vectors extracted automatically from image silhouettes. For robustness against local silhouette segmentation errors, silhouette shape is encoded by histogram-of-shape-contexts descriptors. We evaluate several different regression methods: ridge regression, Relevance Vector Machine (RVM) regression, and Support Vector Machine (SVM) regression over both linear and kernel bases. The RVMs provide much sparser regressors without compromising performance, and kernel bases give a small but worthwhile improvement in performance. The loss of depth and limb labeling information often makes the recovery of 3D pose from single silhouettes ambiguous. To handle this, the method is embedded in a novel regressive tracking framework, using dynamics from the previous state estimate together with a learned regression value to disambiguate the pose. We show that the resulting system tracks long sequences stably. For realism and good generalization over a wide range of viewpoints, we train the regressors on images resynthesized from real human motion capture data. The method is demonstrated for several representations of full body pose, both quantitatively on independent but similar test data and qualitatively on real image sequences. Mean angular errors of 4-6 degrees are obtained for a variety of walking motions.

Algorithms↗

PubMed2006

Evolutionary neural networks for anomaly detection based on the behavior of a program.

The process of learning the behavior of a given program by using machine-learning techniques (based on system-call audit data) is effective to detect intrusions. Rule learning, neural networks, statistics, and hidden Markov models (HMMs) are some of the kinds of representative methods for intrusion detection. Among them, neural networks are known for good performance in learning system-call sequences. In order to apply this knowledge to real-world problems successfully, it is important to determine the structures and weights of these call sequences. However, finding the appropriate structures requires very long time periods because there are no suitable analytical solutions. In this paper, a novel intrusion-detection technique based on evolutionary neural networks (ENNs) is proposed. One advantage of using ENNs is that it takes less time to obtain superior neural networks than when using conventional approaches. This is because they discover the structures and weights of the neural networks simultaneously. Experimental results with the 1999 Defense Advanced Research Projects Agency (DARPA) Intrusion Detection Evaluation (IDEVAL) data confirm that ENNs are promising tools for intrusion detection.

Algorithms↗

PubMed2005

Feature space interpretation of SVMs with indefinite kernels.

Kernel methods are becoming increasingly popular for various kinds of machine learning tasks, the most famous being the support vector machine (SVM) for classification. The SVM is well understood when using conditionally positive definite (cpd) kernel functions. However, in practice, non-cpd kernels arise and demand application in SVMs. The procedure of "plugging" these indefinite kernels in SVMs often yields good empirical classification results. However, they are hard to interpret due to missing geometrical and theoretical understanding. In this paper, we provide a step toward the comprehension of SVM classifiers in these situations. We give a geometric interpretation of SVMs with indefinite kernel functions. We show that such SVMs are optimal hyperplane classifiers not by margin maximization, but by minimization of distances between convex hulls in pseudo-Euclidean spaces. By this, we obtain a sound framework and motivation for indefinite SVMs. This interpretation is the basis for further theoretical analysis, e.g., investigating uniqueness, and for the derivation of practical guidelines like characterizing the suitability of indefinite SVMs.

Algorithms↗

PubMed2006

Automated discovery of 3D motifs for protein function annotation.

MOTIVATION: Function inference from structure is facilitated by the use of patterns of residues (3D motifs), normally identified by expert knowledge, that correlate with function. As an alternative to often limited expert knowledge, we use machine-learning techniques to identify patterns of 3-10 residues that maximize function prediction. This approach allows us to test the assumption that residues that provide function are the most informative for predicting function. RESULTS: We apply our method, GASPS, to the haloacid dehalogenase, enolase, amidohydrolase and crotonase superfamilies and to the serine proteases. The motifs found by GASPS are as good at function prediction as 3D motifs based on expert knowledge. The GASPS motifs with the greatest ability to predict protein function consist mainly of known functional residues. However, several residues with no known functional role are equally predictive. For four groups, we show that the predictive power of our 3D motifs is comparable with or better than approaches that use the entire fold (Combinatorial-Extension) or sequence profiles (PSI-BLAST). AVAILABILITY: Source code is freely available for academic use by contacting the authors. SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.

Algorithms↗

PubMed2004

Prediction of torsade-causing potential of drugs by support vector machine approach.

In an effort to facilitate drug discovery, computational methods for facilitating the prediction of various adverse drug reactions (ADRs) have been developed. So far, attention has not been sufficiently paid to the development of methods for the prediction of serious ADRs that occur less frequently. Some of these ADRs, such as torsade de pointes (TdP), are important issues in the approval of drugs for certain diseases. Thus there is a need to develop tools for facilitating the prediction of these ADRs. This work explores the use of a statistical learning method, support vector machine (SVM), for TdP prediction. TdP involves multiple mechanisms and SVM is a method suitable for such a problem. Our SVM classification system used a set of linear solvation energy relationship (LSER) descriptors and was optimized by leave-one-out cross validation procedure. Its prediction accuracy was evaluated by using an independent set of agents and by comparison with results obtained from other commonly used classification methods using the same dataset and optimization procedure. The accuracies for the SVM prediction of TdP-causing agents and non-TdP-causing agents are 97.4 and 84.6% respectively; one is substantially improved against and the other is comparable to the results obtained by other classification methods useful for multiple-mechanism prediction problems. This indicates the potential of SVM in facilitating the prediction of TdP-causing risk of small molecules and perhaps other ADRs that involve multiple mechanisms.

Algorithms↗

PubMed2005

Perceptual adaptive insensitivity for support vector machine image coding.

Support vector machine (SVM) learning has been recently proposed for image compression in the frequency domain using a constant epsilon-insensitivity zone by Robinson and Kecman. However, according to the statistical properties of natural images and the properties of human perception, a constant insensitivity makes sense in the spatial domain but it is certainly not a good option in a frequency domain. In fact, in their approach, they made a fixed low-pass assumption as the number of discrete cosine transform (DCT) coefficients to be used in the training was limited. This paper extends the work of Robinson and Kecman by proposing the use of adaptive insensitivity SVMs [2] for image coding using an appropriate distortion criterion [3], [4] based on a simple visual cortex model. Training the SVM by using an accurate perception model avoids any a priori assumption and improves the rate-distortion performance of the original approach.

Algorithms↗

PubMed2003

Evolving connectionist systems for knowledge discovery from gene expression data of cancer tissue.

Microarray techniques have made it possible to observe the expression of thousands of genes simultaneously. They have recently been applied to study gene expression patterns in tissue samples. This may lead to highly desirable improvements in the diagnosis and treatment of human diseases. Statistical and machine learning methods have recently been used to classify cancer tissue based on gene expression data. Although some of these methods have achieved a high degree of accuracy, they generally lack transparency in their classification process. This, however, is crucial for the application in the medical field. In order to overcome this obstacle, we used knowledge-based neurocomputing (KBN), since KBN seeks to gain knowledge that is comprehensible to humans. In particular, we applied evolving fuzzy neural networks (EFuNNs) to classify cancer tissue, which is illustrated on the case studies of leukaemia and colon cancer. EFuNNs belong to the evolving connectionist system paradigm (ECOS) that has been recently introduced. They are well suited for adaptive learning and knowledge discovery. Fuzzy logic rules can be extracted from the trained networks and offer knowledge about the classification process in an easily accessible form. These rules point to genes that are strongly associated with specific types of cancer and may be used for the development of new tests and treatment discoveries.

Algorithms↗