Single-cell RNA sequencing (scRNA-seq) is a revolutionary technology to determine the precise gene expression of individual cells and identify cell heterogeneity and subpopulations. However, technical limitations of scRNA-seq lead to heterogeneous and sparse data. Here, we present autoCell, a deep-learning approach for scRNA-seq dropout imputation and feature extraction. autoCell is a variational autoencoding network that combines graph embedding and a probabilistic depth Gaussian mixture model to infer the distribution of high-dimensional, sparse scRNA-seq data. We validate autoCell on simulated datasets and biologically relevant scRNA-seq. We show that interpolation of autoCell improves the performance of existing tools in identifying cell developmental trajectories of human preimplantation embryos. We identify disease-associated astrocytes (DAAs) and reconstruct DAA-specific molecular networks and ligand-receptor interactions involved in cell-cell communications using Alzheimer’s disease as a prototypical example. autoCell provides a toolbox for end-to-end analysis of scRNA-seq data, including visualization, clustering, imputation, and disease-specific gene network identification. 

https://doi.org/10.1016/j.crmeth.2022.100382

Graph embedding and Gaussian mixture variational autoencoder network for end-to-end analysis of single-cell RNA sequencing data

Deep learning applications in single-cell genomics and transcriptomics data analysis.

Biomedical literature is growing rapidly, making it challenging to curate and extract knowledge manually. Biomedical natural language processing (BioNLP) techniques that can automatically extract information from biomedical literature help alleviate this burden. Recently, large Language Models (LLMs), such as GPT-3 and GPT-4, have gained significant attention for their impressive performance. However, their effectiveness in BioNLP tasks and impact on method development and downstream users remain understudied. This pilot study (1) establishes the baseline performance of GPT-3 and GPT-4 at both zero-shot and one-shot settings in eight BioNLP datasets across four applications: named entity recognition, relation extraction, multi-label document classification, and semantic similarity and reasoning, (2) examines the errors produced by the LLMs and categorized the errors into three types: missingness, inconsistencies, and unwanted artificial content, and (3) provides suggestions for using LLMs in BioNLP applications. We make the datasets, baselines, and results publicly available to the community via https://github.com/qingyu-qc/gpt_bionlp_benchmark.

Large language models in biomedical natural language processing: benchmarks, baselines, and recommendations

Real-world problems often exhibit complex relationships and dependencies, which can be effectively captured by graph learning systems. Graph attention networks (GATs) have emerged as a powerful and versatile framework in this direction, inspiring numerous extensions and applications in several areas. In this review, we present a thorough examination of GATs, covering both diverse approaches and a wide range of applications. We examine the principal GAT-based categories, including Global Attention Networks, Multi-Layer Architectures, graph-embedding techniques, Spatial Approaches, and Variational Models. Furthermore, we delve into the diverse applications of GATs in various systems such as recommendation systems, image analysis, medical domain, sentiment analysis, and anomaly detection. This review seeks to act as a navigational reference for researchers and practitioners aiming to emphasize the capabilities and prospects of GATs. 

Graph Attention Networks: A Comprehensive Review of Methods and Applications

The emerging regulatory roles of non-coding RNAs associated with Glucose metabolism in Breast Cancer.

The advances in single-cell ribonucleic acid sequencing (scRNA-seq) allow researchers to explore cellular heterogeneity and human diseases at cell resolution. Cell clustering is a prerequisite in scRNA-seq analysis since it can recognize cell identities. However, the high dimensionality, noises and significant sparsity of scRNA-seq data have made it a big challenge. Although many methods have emerged, they still fail to fully explore the intrinsic properties of cells and the relationship among cells, which seriously affects the downstream clustering performance. Here, we propose a new deep contrastive clustering algorithm called scDCCA. It integrates a denoising auto-encoder and a dual contrastive learning module into a deep clustering framework to extract valuable features and realize cell clustering. Specifically, to better characterize and learn data representations robustly, scDCCA utilizes a denoising Zero-Inflated Negative Binomial model-based auto-encoder to extract low-dimensional features. Meanwhile, scDCCA incorporates a dual contrastive learning module to capture the pairwise proximity of cells. By increasing the similarities between positive pairs and the differences between negative ones, the contrasts at both the instance and the cluster level help the model learn more discriminative features and achieve better cell segregation. Furthermore, scDCCA joins feature learning with clustering, which realizes representation learning and cell clustering in an end-to-end manner. Experimental results of 14 real datasets validate that scDCCA outperforms eight state-of-the-art methods in terms of accuracy, generalizability, scalability and efficiency. Cell visualization and biological analysis demonstrate that scDCCA significantly improves clustering and facilitates downstream analysis for scRNA-seq data. The code is available at https://github.com/WJ319/scDCCA.

scDCCA: deep contrastive clustering for single-cell RNA-seq data based on auto-encoder network

Abstract Prediction of drug–target interactions (DTIs) is essential in medicine field, since it benefits the identification of molecular structures potentially interacting with drugs and facilitates the discovery and reposition of drugs. Recently, much attention has been attracted to network representation learning to learn rich information from heterogeneous data. Although network representation learning algorithms have achieved success in predicting DTI, several manually designed meta-graphs limit the capability of extracting complex semantic information. To address the problem, we introduce an adaptive meta-graph-based method, termed AMGDTI, for DTI prediction. In the proposed AMGDTI, the semantic information is automatically aggregated from a heterogeneous network by training an adaptive meta-graph, thereby achieving efficient information integration without requiring domain knowledge. The effectiveness of the proposed AMGDTI is verified on two benchmark datasets. Experimental results demonstrate that the AMGDTI method overall outperforms eight state-of-the-art methods in predicting DTI and achieves the accurate identification of novel DTIs. It is also verified that the adaptive meta-graph exhibits flexibility and effectively captures complex fine-grained semantic information, enabling the learning of intricate heterogeneous network topology and the inference of potential drug–target relationship. 

AMGDTI: drug–target interaction prediction based on adaptive meta-graph learning in heterogeneous network

A large number of works have presented the single-cell RNA sequencing (scRNA-seq) to study the diversity and biological functions of cells at the single-cell level. Clustering identifies unknown cell types, which is essential for downstream analysis of scRNA-seq samples. However, the high dimensionality, high noise and pervasive dropout rate of scRNA-seq samples have a significant challenge to the cluster analysis of scRNA-seq samples. Herein, we propose a new adaptive fuzzy clustering model based on the denoising autoencoder and self-attention mechanism called the scDASFK. It implements the comparative learning to integrate cell similar information into the clustering method and uses a deep denoising network module to denoise the data. scDASFK consists of a self-attention mechanism for further denoising where an adaptive clustering optimization function for iterative clustering is implemented. In order to make the denoised latent features better reflect the cell structure, we introduce a new adaptive feedback mechanism to supervise the denoising process through the clustering results. Experiments on 16 real scRNA-seq datasets show that scDASFK performs well in terms of clustering accuracy, scalability and stability. Overall, scDASFK is an effective clustering model with great potential for scRNA-seq samples analysis. Our scDASFK model codes are freely available at https://github.com/LRX2022/scDASFK.

Denoising adaptive deep clustering with self-attention mechanism on single-cell sequencing data

Abstract The inference of gene regulatory networks (GRNs) from gene expression profiles has been a key issue in systems biology, prompting many researchers to develop diverse computational methods. However, most of these methods do not reconstruct directed GRNs with regulatory types because of the lack of benchmark datasets or defects in the computational methods. Here, we collect benchmark datasets and propose a deep learning-based model, DeepFGRN, for reconstructing fine gene regulatory networks (FGRNs) with both regulation types and directions. In addition, the GRNs of real species are always large graphs with direction and high sparsity, which impede the advancement of GRN inference. Therefore, DeepFGRN builds a node bidirectional representation module to capture the directed graph embedding representation of the GRN. Specifically, the source and target generators are designed to learn the low-dimensional dense embedding of the source and target neighbors of a gene, respectively. An adversarial learning strategy is applied to iteratively learn the real neighbors of each gene. In addition, because the expression profiles of genes with regulatory associations are correlative, a correlation analysis module is designed. Specifically, this module not only fully extracts gene expression features, but also captures the correlation between regulators and target genes. Experimental results show that DeepFGRN has a competitive capability for both GRN and FGRN inference. Potential biomarkers and therapeutic drugs for breast cancer, liver cancer, lung cancer and coronavirus disease 2019 are identified based on the candidate FGRNs, providing a possible opportunity to advance our knowledge of disease treatments.

DeepFGRN: inference of gene regulatory network with regulation type based on directed graph embedding

Abstract Since the impressive superior performance demonstrated by deep learning methods is widely used in histopathological image analysis and diagnosis, existing work cannot fully extract the information in the breast cancer images due to the limited high resolution of histopathological images. In this study, we construct a novel intermediate layer structure that fully extracts feature information and name it DMBANet, which can extract as much feature information as possible from the input image by up-dimensioning the intermediate convolutional layers to improve the performance of the network. Furthermore, we employ the depth-separable convolution method on the Spindle Structure by decoupling the intermediate convolutional layers and convolving them separately, to significantly reduce the number of parameters and computation of the Spindle Structure and improve the overall network operation speed. We also design the Spindle Structure as a multi-branch model and add different attention mechanisms to different branches. Spindle Structure can effectively improve the performance of the network, the branches with added attention can extract richer and more focused feature information, and the branch with residual connections can minimize the degradation phenomenon in our network and speed up network optimization. The comprehensive experiment shows the superior performance of DMBANet compared to the state-of-the-art method, achieving about 98% classification accuracy, which is better than existing methods. The code is available at https://github.com/Nagi-Dr/DMBANet-main . 

A deep multi-branch attention model for histopathological breast cancer image classification

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