scholarly journals Modelling and Recognition of Protein Contact Networks by Multiple Kernel Learning and Dissimilarity Representations

Entropy ◽  
2020 ◽  
Vol 22 (7) ◽  
pp. 794
Author(s):  
Alessio Martino ◽  
Enrico De Santis ◽  
Alessandro Giuliani ◽  
Antonello Rizzi

Multiple kernel learning is a paradigm which employs a properly constructed chain of kernel functions able to simultaneously analyse different data or different representations of the same data. In this paper, we propose an hybrid classification system based on a linear combination of multiple kernels defined over multiple dissimilarity spaces. The core of the training procedure is the joint optimisation of kernel weights and representatives selection in the dissimilarity spaces. This equips the system with a two-fold knowledge discovery phase: by analysing the weights, it is possible to check which representations are more suitable for solving the classification problem, whereas the pivotal patterns selected as representatives can give further insights on the modelled system, possibly with the help of field-experts. The proposed classification system is tested on real proteomic data in order to predict proteins’ functional role starting from their folded structure: specifically, a set of eight representations are drawn from the graph-based protein folded description. The proposed multiple kernel-based system has also been benchmarked against a clustering-based classification system also able to exploit multiple dissimilarities simultaneously. Computational results show remarkable classification capabilities and the knowledge discovery analysis is in line with current biological knowledge, suggesting the reliability of the proposed system.

2021 ◽  
Vol 7 ◽  
pp. e363
Author(s):  
Nisar Wani ◽  
Khalid Raza

High throughput multi-omics data generation coupled with heterogeneous genomic data fusion are defining new ways to build computational inference models. These models are scalable and can support very large genome sizes with the added advantage of exploiting additional biological knowledge from the integration framework. However, the limitation with such an arrangement is the huge computational cost involved when learning from very large datasets in a sequential execution environment. To overcome this issue, we present a multiple kernel learning (MKL) based gene regulatory network (GRN) inference approach wherein multiple heterogeneous datasets are fused using MKL paradigm. We formulate the GRN learning problem as a supervised classification problem, whereby genes regulated by a specific transcription factor are separated from other non-regulated genes. A parallel execution architecture is devised to learn a large scale GRN by decomposing the initial classification problem into a number of subproblems that run as multiple processes on a multi-processor machine. We evaluate the approach in terms of increased speedup and inference potential using genomic data from Escherichia coli, Saccharomyces cerevisiae and Homo sapiens. The results thus obtained demonstrate that the proposed method exhibits better classification accuracy and enhanced speedup compared to other state-of-the-art methods while learning large scale GRNs from multiple and heterogeneous datasets.


2018 ◽  
Vol 2018 ◽  
pp. 1-7 ◽  
Author(s):  
Jinshan Qi ◽  
Xun Liang ◽  
Rui Xu

By utilizing kernel functions, support vector machines (SVMs) successfully solve the linearly inseparable problems. Subsequently, its applicable areas have been greatly extended. Using multiple kernels (MKs) to improve the SVM classification accuracy has been a hot topic in the SVM research society for several years. However, most MK learning (MKL) methods employ L1-norm constraint on the kernel combination weights, which forms a sparse yet nonsmooth solution for the kernel weights. Alternatively, the Lp-norm constraint on the kernel weights keeps all information in the base kernels. Nonetheless, the solution of Lp-norm constraint MKL is nonsparse and sensitive to the noise. Recently, some scholars presented an efficient sparse generalized MKL (L1- and L2-norms based GMKL) method, in which L1  L2 established an elastic constraint on the kernel weights. In this paper, we further extend the GMKL to a more generalized MKL method based on the p-norm, by joining L1- and Lp-norms. Consequently, the L1- and L2-norms based GMKL is a special case in our method when p=2. Experiments demonstrated that our L1- and Lp-norms based MKL offers a higher accuracy than the L1- and L2-norms based GMKL in the classification, while keeping the properties of the L1- and L2-norms based on GMKL.


2017 ◽  
Vol 2017 ◽  
pp. 1-9 ◽  
Author(s):  
Wenjia Niu ◽  
Kewen Xia ◽  
Baokai Zu ◽  
Jianchuan Bai

Unlike Support Vector Machine (SVM), Multiple Kernel Learning (MKL) allows datasets to be free to choose the useful kernels based on their distribution characteristics rather than a precise one. It has been shown in the literature that MKL holds superior recognition accuracy compared with SVM, however, at the expense of time consuming computations. This creates analytical and computational difficulties in solving MKL algorithms. To overcome this issue, we first develop a novel kernel approximation approach for MKL and then propose an efficient Low-Rank MKL (LR-MKL) algorithm by using the Low-Rank Representation (LRR). It is well-acknowledged that LRR can reduce dimension while retaining the data features under a global low-rank constraint. Furthermore, we redesign the binary-class MKL as the multiclass MKL based on pairwise strategy. Finally, the recognition effect and efficiency of LR-MKL are verified on the datasets Yale, ORL, LSVT, and Digit. Experimental results show that the proposed LR-MKL algorithm is an efficient kernel weights allocation method in MKL and boosts the performance of MKL largely.


Author(s):  
Peiyan Wang ◽  
Dongfeng Cai

Multiple kernel learning (MKL) aims at learning an optimal combination of base kernels with which an appropriate hypothesis is determined on the training data. MKL has its flexibility featured by automated kernel learning, and also reflects the fact that typical learning problems often involve multiple and heterogeneous data sources. Target kernel is one of the most important parts of many MKL methods. These methods find the kernel weights by maximizing the similarity or alignment between weighted kernel and target kernel. The existing target kernels implement a global manner, which (1) defines the same target value for closer and farther sample pairs, and inappropriately neglects the variation of samples; (2) is independent of training data, and is hardly approximated by base kernels. As a result, maximizing the similarity to the global target kernel could make these pre-specified kernels less effectively utilized, further reducing the classification performance. In this paper, instead of defining a global target kernel, a localized target kernel is calculated for each sample pair from the training data, which is flexible and able to well handle the sample variations. A new target kernel named empirical target kernel is proposed in this research to implement this idea, and three corresponding algorithms are designed to efficiently utilize the proposed empirical target kernel. Experiments are conducted on four challenging MKL problems. The results show that our algorithms outperform other methods, verifying the effectiveness and superiority of the proposed methods.


Author(s):  
Zhao Kang ◽  
Xiao Lu ◽  
Jinfeng Yi ◽  
Zenglin Xu

Multiple kernel learning (MKL) method is generally believed to perform better than single kernel method. However, some empirical studies show that this is not always true: the combination of multiple kernels may even yield an even worse performance than using a single kernel. There are two possible reasons for the failure: (i) most existing MKL methods assume that the optimal kernel is a linear combination of base kernels, which may not hold true; and (ii) some kernel weights are inappropriately assigned due to noises and carelessly designed algorithms. In this paper, we propose a novel MKL framework by following two intuitive assumptions: (i) each kernel is a perturbation of the consensus kernel; and (ii) the kernel that is close to the consensus kernel should be assigned a large weight. Impressively, the proposed method can automatically assign an appropriate weight to each kernel without introducing additional parameters, as existing methods do. The proposed framework is integrated into a unified framework for graph-based clustering and semi-supervised classification. We have conducted experiments on multiple benchmark datasets and our empirical results verify the superiority of the proposed framework.


2012 ◽  
Vol 24 (7) ◽  
pp. 1853-1881 ◽  
Author(s):  
Hideitsu Hino ◽  
Nima Reyhani ◽  
Noboru Murata

Kernel methods are known to be effective for nonlinear multivariate analysis. One of the main issues in the practical use of kernel methods is the selection of kernel. There have been a lot of studies on kernel selection and kernel learning. Multiple kernel learning (MKL) is one of the promising kernel optimization approaches. Kernel methods are applied to various classifiers including Fisher discriminant analysis (FDA). FDA gives the Bayes optimal classification axis if the data distribution of each class in the feature space is a gaussian with a shared covariance structure. Based on this fact, an MKL framework based on the notion of gaussianity is proposed. As a concrete implementation, an empirical characteristic function is adopted to measure gaussianity in the feature space associated with a convex combination of kernel functions, and two MKL algorithms are derived. From experimental results on some data sets, we show that the proposed kernel learning followed by FDA offers strong classification power.


Author(s):  
Q. Wang ◽  
Y. Gu ◽  
T. Liu ◽  
H. Liu ◽  
X. Jin

In recent years, many studies on remote sensing image classification have shown that using multiple features from different data sources can effectively improve the classification accuracy. As a very powerful means of learning, multiple kernel learning (MKL) can conveniently be embedded in a variety of characteristics. The conventional combined kernel learned by MKL can be regarded as the compromise of all basic kernels for all classes in classification. It is the best of the whole, but not optimal for each specific class. For this problem, this paper proposes a class-pair-guided MKL method to integrate the heterogeneous features (HFs) from multispectral image (MSI) and light detection and ranging (LiDAR) data. In particular, the <q>one-against-one</q> strategy is adopted, which converts multiclass classification problem to a plurality of two-class classification problem. Then, we select the best kernel from pre-constructed basic kernels set for each class-pair by kernel alignment (KA) in the process of classification. The advantage of the proposed method is that only the best kernel for the classification of any two classes can be retained, which leads to greatly enhanced discriminability. Experiments are conducted on two real data sets, and the experimental results show that the proposed method achieves the best performance in terms of classification accuracies in integrating the HFs for classification when compared with several state-of-the-art algorithms.


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