In an effort to overcome the data deluge in computational biology and bioinformatics and to facilitate bioinformatics research in the era of big data, we identify some of the most influential algorithms that have been widely used in the bioinformatics community. These top data mining and machine learning algorithms cov…
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48 results for “bioinformatics”
Federated learning improves bioinformatics by sharing data legally.
problem Lack of access to diverse data in bioinformatics.
method Combines data from multiple institutions legally.
result Federated learning accelerates clinical discovery and robust exploration.
Many of the current scientific advances in the life sciences have their origin in the intensive use of data for knowledge discovery. In no area this is so clear as in bioinformatics, led by technological breakthroughs in data acquisition technologies. It has been argued that bioinformatics could quickly become the fiel…
IMPACC improves consensus clustering for bioinformatics data.
problem Consensus clustering's inefficiency and lack of interpretability for large-scale data.
method Ensemble minipatch co-occurrences, adaptive sampling of observations and features.
result Significantly improved accuracy and interpretability with substantial computational savings.
Quantum computing promises faster bioinformatics, but challenges remain.
problem Efficient bioinformatics processing and drug discovery.
method Quantum algorithms for optimization, simulation, and machine learning.
result Quantum computing can significantly speed up bioinformatics tasks.
CRF model improves protein secondary structure prediction.
problem Improving secondary structure prediction of proteins.
method Applied Conditional Random Fields (CRF) to protein classification.
result CRF model leads to extremely accurate protein secondary structure predictions.
Machine learning predicts obesity causes using genetic and imaging data.
problem Predicting causes of obesity in children and adults.
method Use ML techniques like decision trees, SVM, RF, GBM, LASSO, BN, and ANN on genetic and imaging data.
result ML models accurately predict obesity causes and chronic diseases.
As the bioinformatics field grows, it must keep pace not only with new data but with new algorithms. Here we contribute a thorough analysis of 13 state-of-the-art, commonly used machine learning algorithms on a set of 165 publicly available classification problems in order to provide data-driven algorithm recommendatio…
Unified platform for statistical and machine learning in bioinformatics.
problem Workflow inefficiencies in using multiple tools for data analysis.
method Automated hyperparameter optimization, feature importance analysis, statistical tests.
result Accelerates biological discovery workflows with methodological soundness.
The application of machine learning to bioinformatics problems is well established. Less well understood is the application of bioinformatics techniques to machine learning and, in particular, the representation of non-biological data as biosequences. The aim of this paper is to explore the effects of giving amino acid…
Data-driven advice for interpreting local and global model predictions in bioinformatics problemsstat.ML
New methods compare local and global feature importance scores for bioinformatics models.
problem Improving feature importance estimation in tree-based models.
method Comparison of SHAP values and Conditional Feature Contributions (CFCs) for 164 bioinformatics problems.
result SHAP values and CFCs yield similar rankings and interpretations for random forests.
New tools evaluate and optimize conditional sequence models in bioinformatics.
problem Evaluating and optimizing conditional sequence models in bioinformatics.
method Kernel-based discrepancy measure (ACMMD) to estimate model fit and tune hyperparameters.
result Rejects the hypothesis that ProteinMPNN fits its data for various protein families and optimizes model temperature.
New model improves DNA methylation data analysis.
problem Analyzing DNA methylation data with complex distributions.
method Doubly non-central beta (DNCB) distribution for non-negative matrix factorization.
result Improves predictive performance and yields meaningful latent representations.
Being an unsupervised machine learning and data mining technique, biclustering and its multimodal extensions are becoming popular tools for analysing object-attribute data in different domains. Apart from conventional clustering techniques, biclustering is searching for homogeneous groups of objects while keeping their…
Efficiently estimates missing data parameters without iterations.
problem Randomly missing data in statistics and bioinformatics.
method Novel algorithms for maximum likelihood estimation.
result Less time-consuming and superior estimation performance.
This paper describes a distributed MapReduce implementation of the minimum Redundancy Maximum Relevance algorithm, a popular feature selection method in bioinformatics and network inference problems. The proposed approach handles both tall/narrow and wide/short datasets. We further provide an open source implementation…
The paper tackles confidence calibration for exploratory machine learning problems.
problem Difficulty in curating datasets and confusion about category validity.
method Introduces four new algorithms for category-specific confidence estimation, including kernel density ratios.
result Kernel density ratios provide a novel approach to confidence calibration, especially for exploratory problems.
We introduce Graph-Sparse Logistic Regression, a new algorithm for classification for the case in which the support should be sparse but connected on a graph. We val- idate this algorithm against synthetic data and benchmark it against L1-regularized Logistic Regression. We then explore our technique in the bioinformat…
Application of Markov Structure of Genomes to Outlier Identification and Read Classificationq-bio.GN
Paper uses genome Markov structure for outlier detection and read classification.
problem Identifying outliers and classifying reads in genome databases.
method Applying second-order Markov models to triplet base distributions.
result Improved accuracy in outlier identification and read classification.
Overfitting and treatment of "small data" are among the most challenging problems in the machine learning (ML), when a relatively small data statistics size is not enough to provide a robust ML fit for a relatively large data feature dimension . Deploying a massively-parallel ML analysis of generic classificatio…
In a context where most published articles are devoted to the development of "new methods", comparison studies are generally appreciated by readers but surprisingly given poor consideration by many scientific journals. In connection with recent articles on over-optimism and epistemology published in Bioinformatics, thi…
Motivation: A major challenge in the development of machine learning based methods in computational biology is that data may not be accurately labeled due to the time and resources required for experimentally annotating properties of proteins and DNA sequences. Standard supervised learning algorithms assume accurate in…
A novel methodology on distributed representations of proteins using their interacting ligandsstat.ML
The effective representation of proteins is a crucial task that directly affects the performance of many bioinformatics problems. Related proteins usually bind to similar ligands. Chemical characteristics of ligands are known to capture the functional and mechanistic properties of proteins suggesting that a ligand base…
We characterize and study variable importance (VIMP) and pairwise variable associations in binary regression trees. A key component involves the node mean squared error for a quantity we refer to as a maximal subtree. The theory naturally extends from single trees to ensembles of trees and applies to methods like rando…
Singular Value Decomposition (and Principal Component Analysis) is one of the most widely used techniques for dimensionality reduction: successful and efficiently computable, it is nevertheless plagued by a well-known, well-documented sensitivity to outliers. Recent work has considered the setting where each point has …
We generalize Newton-type methods for minimizing smooth functions to handle a sum of two convex functions: a smooth function and a nonsmooth function with a simple proximal mapping. We show that the resulting proximal Newton-type methods inherit the desirable convergence behavior of Newton-type methods for minimizing s…
Protein Classification using Machine Learning and Statistical Techniques: A Comparative Analysiscs.LG
In recent era prediction of enzyme class from an unknown protein is one of the challenging tasks in bioinformatics. Day to day the number of proteins is increases as result the prediction of enzyme class gives a new opportunity to bioinformatics scholars. The prime objective of this article is to implement the machine …
Markov networks are widely used in many Machine Learning applications including natural language processing, computer vision, and bioinformatics . Learning Markov networks have many complications ranging from intractable computations involved to the possibility of learning a model with a huge number of parameters. In t…
Graph-structured data arise in wide applications, such as computer vision, bioinformatics, and social networks. Quantifying similarities among graphs is a fundamental problem. In this paper, we develop a framework for computing graph kernels, based on return probabilities of random walks. The advantages of our proposed…
Graph network predicts circRNA-disease associations using multi-source similarity features.
problem Identifying circRNA-disease associations is challenging and time-consuming.
method Proposes a graph convolution network framework using multi-source similarity information.
result Framework predicts circRNA-disease associations with promising results and outperforms existing methods.
Motivation: Recent advances in technology for brain imaging and high-throughput genotyping have motivated studies examining the influence of genetic variation on brain structure. Wang et al. (Bioinformatics, 2012) have developed an approach for the analysis of imaging genomic studies using penalized multi-task regressi…
In this work we present the novel ASTRID method for investigating which attribute interactions classifiers exploit when making predictions. Attribute interactions in classification tasks mean that two or more attributes together provide stronger evidence for a particular class label. Knowledge of such interactions make…
PS8-Net: A Deep Convolutional Neural Network to Predict the Eight-State Protein Secondary Structurecs.LG
PS8-Net improves eight-state protein secondary structure prediction accuracy.
problem Precise prediction of eight-state protein secondary structure (PSS) is crucial in bioinformatics.
method PS8-Net is a new deep convolutional neural network (DCNN) that uses a PS8 module with skip connections to enhance accuracy.
result PS8-Net achieves 76.89% Q8 accuracy on benchmark datasets.
We propose a mixed integer programming (MIP) model and iterative algorithms based on topological orders to solve optimization problems with acyclic constraints on a directed graph. The proposed MIP model has a significantly lower number of constraints compared to popular MIP models based on cycle elimination constraint…
Extracts factors from Treasury yields using ML techniques.
problem Understanding factors underlying Treasury yields.
method Nonnegative Matrix Factorization (NMF) and clustering.
result Factors identified through NMF and clustering.
We present a very fast algorithm for general matrix factorization of a data matrix for use in the statistical analysis of high-dimensional data via latent factors. Such data are prevalent across many application areas and generate an ever-increasing demand for methods of dimension reduction in order to undertake the st…
GPCCA integrates multi-modal data with missing values, improving clustering accuracy.
problem Integrating and analyzing multi-modal data with missing values and partial observations.
method Generalized Probabilistic Canonical Correlation Analysis (GPCCA) for unsupervised multi-modal data integration and dimensionality reduction.
result GPCCA outperforms existing methods in capturing essential patterns across modalities and provides robust low-dimensional embeddings.
GOAL algorithm reduces and rotates feature space for small data classification.
problem Challenges in identifying important features for classification in small data settings.
method GOAL algorithm reduces and rotates feature space in a lower-dimensional gauge, providing an analytically tractable solution.
result GOAL algorithm outperforms state-of-the-art ML tools in synthetic and real-world applications.
Non-negative matrix factorization (NMF) is a new knowledge discovery method that is used for text mining, signal processing, bioinformatics, and consumer analysis. However, its basic property as a learning machine is not yet clarified, as it is not a regular statistical model, resulting that theoretical optimization me…
R package for machine learning in survival analysis.
problem Limited machine learning interfaces for survival analysis.
method Provides a comprehensive machine learning interface for survival analysis.
result Systematic infrastructure for survival modeling and evaluation.
In the last few years, many different performance measures have been introduced to overcome the weakness of the most natural metric, the Accuracy. Among them, Matthews Correlation Coefficient has recently gained popularity among researchers not only in machine learning but also in several application fields such as bio…
Scalable methods for nonnegative matrix factorizations of near-separable tall-and-skinny matricescs.LG
Numerous algorithms are used for nonnegative matrix factorization under the assumption that the matrix is nearly separable. In this paper, we show how to make these algorithms efficient for data matrices that have many more rows than columns, so-called "tall-and-skinny matrices". One key component to these improved met…
Hidden Markov models and their variants are the predominant sequential classification method in such domains as speech recognition, bioinformatics and natural language processing. Being generative rather than discriminative models, however, their classification performance is a drawback. In this paper we apply ideas fr…
Graph Convolutional Neural Networks (GCNNs) are the most recent exciting advancement in deep learning field and their applications are quickly spreading in multi-cross-domains including bioinformatics, chemoinformatics, social networks, natural language processing and computer vision. In this paper, we expose and tackl…
Prior work inspired by compression algorithms has described how the Burrows Wheeler Transform can be used to create a distance measure for bioinformatics problems. We describe issues with this approach that were not widely known, and introduce our new Burrows Wheeler Markov Distance (BWMD) as an alternative. The BWMD a…
We extend multi-way, multivariate ANOVA-type analysis to cases where one covariate is the view, with features of each view coming from different, high-dimensional domains. The different views are assumed to be connected by having paired samples; this is a common setup in recent bioinformatics experiments, of which we a…
DeepPurpose simplifies DL for DTI prediction.
problem Accurate prediction of drug-target interactions.
method Comprehensive deep learning library with 15 compound and protein encoders and 50 neural architectures.
result State-of-the-art performance on benchmark datasets.
With rapidly increasing data, clustering algorithms are important tools for data analytics in modern research. They have been successfully applied to a wide range of domains; for instance, bioinformatics, speech recognition, and financial analysis. Formally speaking, given a set of data instances, a clustering algorith…