Dataset Information

Metabolic pathway inference using multi-label classification with rich pathway features.

ABSTRACT: Metabolic inference from genomic sequence information is a necessary step in determining the capacity of cells to make a living in the world at different levels of biological organization. A common method for determining the metabolic potential encoded in genomes is to map conceptually translated open reading frames onto a database containing known product descriptions. Such gene-centric methods are limited in their capacity to predict pathway presence or absence and do not support standardized rule sets for automated and reproducible research. Pathway-centric methods based on defined rule sets or machine learning algorithms provide an adjunct or alternative inference method that supports hypothesis generation and testing of metabolic relationships within and between cells. Here, we present mlLGPR, multi-label based on logistic regression for pathway prediction, a software package that uses supervised multi-label classification and rich pathway features to infer metabolic networks in organismal and multi-organismal datasets. We evaluated mlLGPR performance using a corpora of 12 experimental datasets manifesting diverse multi-label properties, including manually curated organismal genomes, synthetic microbial communities and low complexity microbial communities. Resulting performance metrics equaled or exceeded previous reports for organismal genomes and identify specific challenges associated with features engineering and training data for community-level metabolic inference.

SUBMITTER: M A Basher AR

PROVIDER: S-EPMC7529316 | biostudies-literature | 2020 Oct

REPOSITORIES: biostudies-literature

ACCESS DATA

Publications

Metabolic pathway inference using multi-label classification with rich pathway features.

M A Basher Abdur Rahman AR McLaughlin Ryan J RJ Hallam Steven J SJ

PLoS computational biology 20201001 10

Metabolic inference from genomic sequence information is a necessary step in determining the capacity of cells to make a living in the world at different levels of biological organization. A common method for determining the metabolic potential encoded in genomes is to map conceptually translated open reading frames onto a database containing known product descriptions. Such gene-centric methods are limited in their capacity to predict pathway presence or absence and do not support standardized ...[more]

PMID: 33001968

Similar Datasets

Project description:BackgroundOntologies and catalogs of gene functions, such as the Gene Ontology (GO) and MIPS-FUN, assume that functional classes are organized hierarchically, that is, general functions include more specific ones. This has recently motivated the development of several machine learning algorithms for gene function prediction that leverages on this hierarchical organization where instances may belong to multiple classes. In addition, it is possible to exploit relationships among examples, since it is plausible that related genes tend to share functional annotations. Although these relationships have been identified and extensively studied in the area of protein-protein interaction (PPI) networks, they have not received much attention in hierarchical and multi-class gene function prediction. Relations between genes introduce autocorrelation in functional annotations and violate the assumption that instances are independently and identically distributed (i.i.d.), which underlines most machine learning algorithms. Although the explicit consideration of these relations brings additional complexity to the learning process, we expect substantial benefits in predictive accuracy of learned classifiers.ResultsThis article demonstrates the benefits (in terms of predictive accuracy) of considering autocorrelation in multi-class gene function prediction. We develop a tree-based algorithm for considering network autocorrelation in the setting of Hierarchical Multi-label Classification (HMC). We empirically evaluate the proposed algorithm, called NHMC (Network Hierarchical Multi-label Classification), on 12 yeast datasets using each of the MIPS-FUN and GO annotation schemes and exploiting 2 different PPI networks. The results clearly show that taking autocorrelation into account improves the predictive performance of the learned models for predicting gene function.ConclusionsOur newly developed method for HMC takes into account network information in the learning phase: When used for gene function prediction in the context of PPI networks, the explicit consideration of network autocorrelation increases the predictive performance of the learned models. Overall, we found that this holds for different gene features/ descriptions, functional annotation schemes, and PPI networks: Best results are achieved when the PPI network is dense and contains a large proportion of function-relevant interactions.

Project description:Alzheimer's disease (AD) is a neurodegenerative and progressive disorder that results in brain malfunctions. Resting-state (RS) functional magnetic resonance imaging (fMRI) techniques have been successfully applied for quantifying brain activities of both Alzheimer's disease (AD) and amnestic mild cognitive impairment (aMCI) patients. Region-based approaches are widely utilized to classify patients from cognitively normal subjects (CN). Nevertheless, region-based approaches have a few limitations, reproducibility owing to selection of disease-specific brain regions, and heterogeneity of brain activities during disease progression. For coping with these issues, network-based approaches have been suggested in the field of molecular bioinformatics. In comparison with individual gene-based approaches, they acquired more accurate results in diverse disease classification, and reproducibility was confirmed by replication studies. In our work, we applied a similar methodology integrating brain pathway information into pathway activity inference, and permitting classification of both aMCI and AD patients based on pathway activities rather than single region activities.After aggregating the 59 brain pathways from literature, we estimated brain pathway activities by using exhaustive search algorithms between patients and cognitively normal subjects, and identified discriminatory pathways according to disease progression. We used three different data sets and each data set consists of two different groups. Our results show that the pathway-based approach (AUC = 0.89, 0.9, 0.75) outperformed the region-based approach (AUC = 0.69, 0.8, 0.68). Also, our approach provided enhanced diagnostic power achieving higher accuracy, sensitivity, and specificity (pathway-based approach: accuracy = 83%; sensitivity = 86%; specificity = 78%, region-based approach: accuracy = 74%; sensitivity = 78%; specificity = 76%).We proposed a novel method inferring brain pathway activities for disease classification. Our approach shows better classification performance than region-based approach in four classification models. We expect that brain pathway-based approach would be helpful for precise classification of brain disorders, and provide new opportunities for uncovering disrupted brain pathways caused by disease. Moreover, discriminatory pathways between patients and cognitively normal subjects may facilitate the interpretation of functional alterations during disease progression.

Project description:Data classification is a fundamental task in data mining. Within this field, the classification of multi-labeled data has been seriously considered in recent years. In such problems, each data entity can simultaneously belong to several categories. Multi-label classification is important because of many recent real-world applications in which each entity has more than one label. To improve the performance of multi-label classification, feature selection plays an important role. It involves identifying and removing irrelevant and redundant features that unnecessarily increase the dimensions of the search space for the classification problems. However, classification may fail with an extreme decrease in the number of relevant features. Thus, minimizing the number of features and maximizing the classification accuracy are two desirable but conflicting objectives in multi-label feature selection. In this article, we introduce a multi-objective optimization algorithm customized for selecting the features of multi-label data. The proposed algorithm is an enhanced variant of a decomposition-based multi-objective optimization approach, in which the multi-label feature selection problem is divided into single-objective subproblems that can be simultaneously solved using an evolutionary algorithm. This approach leads to accelerating the optimization process and finding more diverse feature subsets. The proposed method benefits from a local search operator to find better solutions for each subproblem. We also define a pool of genetic operators to generate new feature subsets based on old generation. To evaluate the performance of the proposed algorithm, we compare it with two other multi-objective feature selection approaches on eight real-world benchmark datasets that are commonly used for multi-label classification. The reported results of multi-objective method evaluation measures, such as hypervolume indicator and set coverage, illustrate an improvement in the results obtained by the proposed method. Moreover, the proposed method achieved better results in terms of classification accuracy with fewer features compared with state-of-the-art methods.

Dataset Information

Metabolic pathway inference using multi-label classification with rich pathway features.

Publications

Metabolic pathway inference using multi-label classification with rich pathway features.

Similar Datasets

OmicsDI is part of the ELIXIR infrastructure

Tweets