用可解释的Transformer与扩散模型生成高质量单细胞测序数据
White-Box Diffusion Transformer for single-cell RNA-seq generation
- 结合扩散模型生成能力与白盒Transformer可解释性
- 在6个数据集上生成数据与真实数据相似度高,训练效率提升显著
- 适合生物医学研究者用于数据增强和降低实验成本
单细胞RNA测序(scRNA-seq)技术能高效刻画细胞亚群和异质性,但受限于高成本和样本量少。为此,我们提出一种基于扩散模型与白盒Transformer的混合模型,用于生成合成且生物学合理的scRNA-seq数据。扩散模型通过逐步加噪与去噪过程生成复杂数据分布;白盒Transformer通过最小化编码率和最大化表征稀疏性,在降低计算开销的同时提供清晰的结构洞察。所提White-Box Diffusion Transformer融合两者优势,在六个不同scRNA-seq数据集上通过t-SNE可视化及多种指标量化比较,证明其生成性能与Diffusion Transformer相当,同时显著提升训练效率与资源利用率。代码已开源。
原文摘要 · Abstract (English)
As a powerful tool for characterizing cellular subpopulations and cellular heterogeneity, single cell RNA sequencing (scRNA-seq) technology offers advantages of high throughput and multidimensional analysis. However, the process of data acquisition is often constrained by high cost and limited sample availability. To overcome these limitations, we propose a hybrid model based on Diffusion model and White-Box transformer that aims to generate synthetic and biologically plausible scRNA-seq data. Diffusion model progressively introduce noise into the data and then recover the original data through a denoising process, a forward and reverse process that is particularly suitable for generating complex data distributions. White-Box transformer is a deep learning architecture that emphasizes mathematical interpretability. By minimizing the encoding rate of the data and maximizing the sparsity of the representation, it not only reduces the computational burden, but also provides clear insight into underlying structure. Our White-Box Diffusion Transformer combines the generative capabilities of Diffusion model with the mathematical interpretability of White-Box transformer. Through experiments using six different single-cell RNA-Seq datasets, we visualize both generated and real data using t-SNE dimensionality reduction technique, as well as quantify similarity between generated and real data using various metrics to demonstrate comparable performance of White-Box Diffusion Transformer and Diffusion Transformer in generating scRNA-seq data alongside significant improvements in training efficiency and resource utilization. Our code is available at https://github.com/lingximamo/White-Box-Diffusion-Transformer
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