基于非线性降维算法的膜蛋白类型识别

众所周知,研究未知膜蛋白的类型可对基础研究和药物发现提供有用的线索。在后基因组时代,伴随着蛋白质序列数量的剧增,用实验方法确定膜蛋白类型太过昂贵和费时。因此,研究出一种能够自动发现可能的膜蛋白的计算方法变得很重要。鉴于这种情况,曾有人采用DC(Dipeptide Composition)方法表示蛋白质序列并取得了很好的预测结果。然而,采用这种表示方法得到的特征维数很高,冗余很大,使得预测系统十分复杂。为了解决这个问题,本文采用非线性降维算法KPCA(Kernel Principle component analysis),通过从高维的DC(Dipeptide Composition)特征空间中提取出低维的重要特征来简化该系统,采用K-NN(K-nearest neighbor)分类器从约简后的低维特征中预测膜蛋白类型。实验结果表明,使用KPCA方法预测膜蛋白类型非常有效。     

From Constrained to Unconstrained Maximum Agreement Subtree in Linear Time

We propose and study the Maximum Constrained Agreement Subtree (MCAST) problem, which is a variant of the classical Maximum Agreement Subtree (MAST) problem. Our problem allows users to apply their domain knowledge to control the construction of the agreement subtrees in order to get better results. We show that the MCAST problem can be reduced to the MAST problem in linear time and thus we have algorithms for MCAST with running times matching the fastest known algorithms for MAST. A preliminary version of this paper appears in the Proceedings of the Fifth Workshop on Algorithms in Bioinformatics (WABI 2005). Research of H.F. Ting is supported in part by Hong Kong RGC Grant HKU-7172/06E.     

蛋白质亚细胞定位预测的机器学习方法

蛋白质亚细胞定位与其功能密切相关.蛋白质在细胞中的正确定位是细胞系统高度有序运转的前提保障.研究细胞中蛋白质定位的机制和规律,预测蛋白质的亚细胞定位,时于了解蛋白质的性质和功能,了解蛋白质之间的相互作用,探索生命的规律和奥秘具有重要意义.基于机器学习方法的蛋白质亚细胞定位预测是生物信息学研究的热点之一.从数据集的建立、蛋白质序列特征刻画和蛋白质亚细胞定位预测算法3个方面,总结和评述了在过去十几年里机器学习方法在蛋白质亚细胞定位研究中的应用情况和取得的成果,分析了机器学习方法在蛋白质亚细胞定位预测方面存在的问题和面临的挑战,指出了蛋白质亚细胞定位研究的主要方向.     

计算机专业设置生物信息学课程的建设与实践

针对目前国内生物信息学教学现状,借鉴其他学科成熟的教学模式,结合生物信息学的课程特点,探讨我校在计算机专业中开设生物信息学课程的几个问题,并提出基本教学思路和具体应用方法。     

A novel ACO–GA hybrid algorithm for feature selection in protein function prediction

Protein function prediction is an important problem in functional genomics. Typically, protein sequences are represented by feature vectors. A major problem of protein datasets that increase the complexity of classification models is their large number of features. Feature selection (FS) techniques are used to deal with this high dimensional space of features. In this paper, we propose a novel feature selection algorithm that combines genetic algorithms (GA) and ant colony optimization (ACO) for faster and better search capability. The hybrid algorithm makes use of advantages of both ACO and GA methods. Proposed algorithm is easily implemented and because of use of a simple classifier in that, its computational complexity is very low. The performance of proposed algorithm is compared to the performance of two prominent population-based algorithms, ACO and genetic algorithms. Experimentation is carried out using two challenging biological datasets, involving the hierarchical functional classification of GPCRs and enzymes. The criteria used for comparison are maximizing predictive accuracy, and finding the smallest subset of features. The results of experiments indicate the superiority of proposed algorithm.     

生物信息学中的序列比对算法

序列比对是生物信息学中基本的信息处理方法,对于发现生物序列中的功能、结构和进化信息具有重要的意义。该文对典型的双序列比对算法Smith-Waterman、FASTA、BLAST以及多序列比对算法CLUSTAL进行了描述和评价;针对目前序列比对算法普遍存在的不足,简单介绍了应用KDD技术进行序列相似性发现的定义及其处理过程。     

基于网格的分布式数据计算预测蛋白质相互作用关系

随着不同物种蛋白质相互作用关系数据的大量积累,蛋白质相互作用特别是大规模蛋白质相互作用的研究成为生命科学领域的又一个研究热点.目前互联网上存在大量分布式的、异构的蛋白质相互作用关系数据源,用户难以高效地整合这些数据源中的信息.本文针对多个大容量的蛋白质相互作用关系数据库,在数据网格BD-Grid环境下,提出了预测蛋白质相互作用关系通用结构框架,通过有效的元数据管理服务和合理的数据分类服务,屏蔽异构数据库间的差异,实现了用户对数据的透明存取,并在该数据平台上,实现了预测蛋白质相互作用关系的应用,使相关领域的研究人员能以生物信息学的方法研究蛋白质的相互作用关系.初步的实验结果说明,该BD-Grid具有较好的性能.     

Hybrid multiobjective artificial bee colony for multiple sequence alignment

In the bioinformatics community, it is really important to find an accurate and simultaneous alignment among diverse biological sequences which are assumed to have an evolutionary relationship. From the alignment, the sequences homology is inferred and the shared evolutionary origins among the sequences are extracted by using phylogenetic analysis. This problem is known as the multiple sequence alignment (MSA) problem. In the literature, several approaches have been proposed to solve the MSA problem, such as progressive alignments methods, consistency-based algorithms, or genetic algorithms (GAs). In this work, we propose a Hybrid Multiobjective Evolutionary Algorithm based on the behaviour of honey bees for solving the MSA problem, the hybrid multiobjective artificial bee colony (HMOABC) algorithm. HMOABC considers two objective functions with the aim of preserving the quality and consistency of the alignment: the weighted sum-of-pairs function with affine gap penalties (WSP) and the number of totally conserved (TC) columns score. In order to assess the accuracy of HMOABC, we have used the BAliBASE benchmark (version 3.0), which according to the developers presents more challenging test cases representing the real problems encountered when aligning large sets of complex sequences. Our multiobjective approach has been compared with 13 well-known methods in bioinformatics field and with other 6 evolutionary algorithms published in the literature.