AIMC Topic: Computational Biology

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Two-Stage Bayesian Optimization for Scalable Inference in State-Space Models.

IEEE transactions on neural networks and learning systems
State-space models (SSMs) are a rich class of dynamical models with a wide range of applications in economics, healthcare, computational biology, robotics, and more. Proper analysis, control, learning, and decision-making in dynamical systems modeled...

Single-sequence protein structure prediction using a language model and deep learning.

Nature biotechnology
AlphaFold2 and related computational systems predict protein structure using deep learning and co-evolutionary relationships encoded in multiple sequence alignments (MSAs). Despite high prediction accuracy achieved by these systems, challenges remain...

Risk stratification and pathway analysis based on graph neural network and interpretable algorithm.

BMC bioinformatics
BACKGROUND: Pathway-based analysis of transcriptomic data has shown greater stability and better performance than traditional gene-based analysis. Until now, some pathway-based deep learning models have been developed for bioinformatic analysis, but ...

Fast and accurate Ab Initio Protein structure prediction using deep learning potentials.

PLoS computational biology
Despite the immense progress recently witnessed in protein structure prediction, the modeling accuracy for proteins that lack sequence and/or structure homologs remains to be improved. We developed an open-source program, DeepFold, which integrates s...

ProtTrans: Toward Understanding the Language of Life Through Self-Supervised Learning.

IEEE transactions on pattern analysis and machine intelligence
Computational biology and bioinformatics provide vast data gold-mines from protein sequences, ideal for Language Models (LMs) taken from Natural Language Processing (NLP). These LMs reach for new prediction frontiers at low inference costs. Here, we ...

A machine learning technique for identifying DNA enhancer regions utilizing CIS-regulatory element patterns.

Scientific reports
Enhancers regulate gene expression, by playing a crucial role in the synthesis of RNAs and proteins. They do not directly encode proteins or RNA molecules. In order to control gene expression, it is important to predict enhancers and their potency. G...

Learning a confidence score and the latent space of a new supervised autoencoder for diagnosis and prognosis in clinical metabolomic studies.

BMC bioinformatics
BACKGROUND: Presently, there is a wide variety of classification methods and deep neural network approaches in bioinformatics. Deep neural networks have proven their effectiveness for classification tasks, and have outperformed classical methods, but...

Improved Protein Real-Valued Distance Prediction Using Deep Residual Dense Network (DRDN).

The protein journal
Three-dimensional protein structure prediction is one of the major challenges in bioinformatics. According to recent research findings, real-valued distance prediction plays a vital role in determining the unique three-dimensional protein structure. ...

Protein secondary structure assignment using residual networks.

Journal of molecular modeling
Proteins are constructed from amino acid sequences. Their structural classifications include primary, secondary, tertiary, and quaternary, with tertiary and quaternary structures influencing protein function. Because a protein's structure is inextric...