Big networks : a survey

A network is a typical expressive form of representing complex systems in terms of vertices and links, in which the pattern of interactions amongst components of the network is intricate. The network can be static that does not change over time or dynamic that evolves through time. The complication of network analysis is different under the new circumstance of network size explosive increasing. In this paper, we introduce a new network science concept called a big network. A big networks is generally in large-scale with a complicated and higher-order inner structure. This paper proposes a guideline framework that gives an insight into the major topics in the area of network science from the viewpoint of a big network. We first introduce the structural characteristics of big networks from three levels, which are micro-level, meso-level, and macro-level. We then discuss some state-of-the-art advanced topics of big network analysis. Big network models and related approaches, including ranking methods, partition approaches, as well as network embedding algorithms are systematically introduced. Some typical applications in big networks are then reviewed, such as community detection, link prediction, recommendation, etc. Moreover, we also pinpoint some critical open issues that need to be investigated further. © 2020 Elsevier Inc

Innovative Algorithms and Evaluation Methods for Biological Motif Finding

Biological motifs are defined as overly recurring sub-patterns in biological systems. Sequence motifs and network motifs are the examples of biological motifs. Due to the wide range of applications, many algorithms and computational tools have been developed for efficient search for biological motifs. Therefore, there are more computationally derived motifs than experimentally validated motifs, and how to validate the biological significance of the ‘candidate motifs’ becomes an important question. Some of sequence motifs are verified by their structural similarities or their functional roles in DNA or protein sequences, and stored in databases. However, biological role of network motifs is still invalidated and currently no databases exist for this purpose. In this thesis, we focus not only on the computational efficiency but also on the biological meanings of the motifs. We provide an efficient way to incorporate biological information with clustering analysis methods: For example, a sparse nonnegative matrix factorization (SNMF) method is used with Chou-Fasman parameters for the protein motif finding. Biological network motifs are searched by various clustering algorithms with Gene ontology (GO) information. Experimental results show that the algorithms perform better than existing algorithms by producing a larger number of high-quality of biological motifs. In addition, we apply biological network motifs for the discovery of essential proteins. Essential proteins are defined as a minimum set of proteins which are vital for development to a fertile adult and in a cellular life in an organism. We design a new centrality algorithm with biological network motifs, named MCGO, and score proteins in a protein-protein interaction (PPI) network to find essential proteins. MCGO is also combined with other centrality measures to predict essential proteins using machine learning techniques. We have three contributions to the study of biological motifs through this thesis; 1) Clustering analysis is efficiently used in this work and biological information is easily integrated with the analysis; 2) We focus more on the biological meanings of motifs by adding biological knowledge in the algorithms and by suggesting biologically related evaluation methods. 3) Biological network motifs are successfully applied to a practical application of prediction of essential proteins

Evolutionary Computation and QSAR Research

[Abstract] The successful high throughput screening of molecule libraries for a specific biological property is one of the main improvements in drug discovery. The virtual molecular filtering and screening relies greatly on quantitative structure-activity relationship (QSAR) analysis, a mathematical model that correlates the activity of a molecule with molecular descriptors. QSAR models have the potential to reduce the costly failure of drug candidates in advanced (clinical) stages by filtering combinatorial libraries, eliminating candidates with a predicted toxic effect and poor pharmacokinetic profiles, and reducing the number of experiments. To obtain a predictive and reliable QSAR model, scientists use methods from various fields such as molecular modeling, pattern recognition, machine learning or artificial intelligence. QSAR modeling relies on three main steps: molecular structure codification into molecular descriptors, selection of relevant variables in the context of the analyzed activity, and search of the optimal mathematical model that correlates the molecular descriptors with a specific activity. Since a variety of techniques from statistics and artificial intelligence can aid variable selection and model building steps, this review focuses on the evolutionary computation methods supporting these tasks. Thus, this review explains the basic of the genetic algorithms and genetic programming as evolutionary computation approaches, the selection methods for high-dimensional data in QSAR, the methods to build QSAR models, the current evolutionary feature selection methods and applications in QSAR and the future trend on the joint or multi-task feature selection methods.Instituto de Salud Carlos III, PIO52048Instituto de Salud Carlos III, RD07/0067/0005Ministerio de Industria, Comercio y Turismo; TSI-020110-2009-53)Galicia. Consellería de Economía e Industria; 10SIN105004P

Front Matter - Soft Computing for Data Mining Applications

Efficient tools and algorithms for knowledge discovery in large data sets have been devised during the recent years. These methods exploit the capability of computers to search huge amounts of data in a fast and effective manner. However, the data to be analyzed is imprecise and afflicted with uncertainty. In the case of heterogeneous data sources such as text, audio and video, the data might moreover be ambiguous and partly conflicting. Besides, patterns and relationships of interest are usually vague and approximate. Thus, in order to make the information mining process more robust or say, human-like methods for searching and learning it requires tolerance towards imprecision, uncertainty and exceptions. Thus, they have approximate reasoning capabilities and are capable of handling partial truth. Properties of the aforementioned kind are typical soft computing. Soft computing techniques like Genetic

Bioinformatics

This book is divided into different research areas relevant in Bioinformatics such as biological networks, next generation sequencing, high performance computing, molecular modeling, structural bioinformatics, molecular modeling and intelligent data analysis. Each book section introduces the basic concepts and then explains its application to problems of great relevance, so both novice and expert readers can benefit from the information and research works presented here

Integrative methods for discovering generic CIS-regulatory motifs

Ph.DDOCTOR OF PHILOSOPH

A data mining framework based on boundary-points for gene selection from DNA-microarrays: Pancreatic Ductal Adenocarcinoma as a case study

[EN] Gene selection (or feature selection) from DNA-microarray data can be focused on different techniques, which generally involve statistical tests, data mining and machine learning. In recent years there has been an increasing interest in using hybrid-technique sets to face the problem of meaningful gene selection; nevertheless, this issue remains a challenge. In an effort to address the situation, this paper proposes a novel hybrid framework based on data mining techniques and tuned to select gene subsets, which are meaningfully related to the target disease conducted in DNA-microarray experiments. For this purpose, the framework above deals with approaches such as statistical significance tests, cluster analysis, evolutionary computation, visual analytics and boundary points. The latter is the core technique of our proposal, allowing the framework to define two methods of gene selection. Another novelty of this work is the inclusion of the age of patients as an additional factor in our analysis, which can leading to gaining more insight into the disease. In fact, the results reached in this research have been very promising and have shown their biological validity. Hence, our proposal has resulted in a methodology that can be followed in the gene selection process from DNA-microarray data