AIMC Topic: Algorithms

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Carmna: classification and regression models for nitrogenase activity based on a pretrained large protein language model.

Briefings in bioinformatics
Nitrogen-fixing microorganisms play a critical role in the global nitrogen cycle by converting atmospheric nitrogen into ammonia through the action of nitrogenase (EC 1.18.6.1). In this study, we employed six machine learning algorithms to model the ...

IDP-EDL: enhancing intrinsically disordered protein prediction by combining protein language model and ensemble deep learning.

Briefings in bioinformatics
Identification of intrinsically disordered regions (IDRs) in proteins is essential for understanding fundamental cellular processes. The IDRs can be divided into long disordered regions (LDRs) and short disordered regions (SDRs) according to their le...

DMGAT: predicting ncRNA-drug resistance associations based on diffusion map and heterogeneous graph attention network.

Briefings in bioinformatics
Non-coding RNAs (ncRNAs) play crucial roles in drug resistance and sensitivity, making them important biomarkers and therapeutic targets. However, predicting ncRNA-drug associations is challenging due to issues such as dataset imbalance and sparsity,...

Multi-Manifolds fusing hyperbolic graph network balanced by pareto optimization for identifying spatial domains of spatial transcriptomics.

Briefings in bioinformatics
Identifying spatial domains for spatial transcriptomics is crucial for achieving comprehensive insights into the pathogenesis of gene expression. Increasingly, computational methods based on graph neural networks are being developed for spatial trans...

FactVAE: a factorized variational autoencoder for single-cell multi-omics data integration analysis.

Briefings in bioinformatics
Single-cell multi-omics technologies have revolutionized the study of cell states and functions by simultaneously profiling multiple molecular layers within individual cells. However, existing methods for integrating these data struggle to preserve c...

Consistent semantic representation learning for out-of-distribution molecular property prediction.

Briefings in bioinformatics
Invariant molecular representation models provide potential solutions to guarantee accurate prediction of molecular properties under distribution shifts out-of-distribution (OOD) by identifying and leveraging invariant substructures inherent to the m...

Interpretable high-order knowledge graph neural network for predicting synthetic lethality in human cancers.

Briefings in bioinformatics
Synthetic lethality (SL) is a promising gene interaction for cancer therapy. Recent SL prediction methods integrate knowledge graphs (KGs) into graph neural networks (GNNs) and employ attention mechanisms to extract local subgraphs as explanations fo...

CoupleVAE: coupled variational autoencoders for predicting perturbational single-cell RNA sequencing data.

Briefings in bioinformatics
With the rapid advances in single-cell sequencing technology, it is now feasible to conduct in-depth genetic analysis in individual cells. Study on the dynamics of single cells in response to perturbations is of great significance for understanding t...

Data imbalance in drug response prediction: multi-objective optimization approach in deep learning setting.

Briefings in bioinformatics
Drug response prediction (DRP) methods tackle the complex task of associating the effectiveness of small molecules with the specific genetic makeup of the patient. Anti-cancer DRP is a particularly challenging task requiring costly experiments as und...

EMcnv: enhancing CNV detection performance through ensemble strategies with heterogeneous meta-graph neural networks.

Briefings in bioinformatics
Copy number variation (CNV) is a crucial biomarker for many complex traits and diseases. Although numerous CNV detection tools are available, no single method consistently achieves optimal performance across diverse sequencing samples, as each tool h...