Leveraging attention-enhanced variational autoencoders: Novel approach for investigating latent space of aptamer sequences.

ABSTRACT

Aptamers are increasingly recognized as potent alternatives to antibodies for diagnostic and therapeutic applications. The application of deep learning, particularly attention-based models, for aptamer (DNA/RNA) sequences is an innovative field. The ongoing advancements in aptamer sequencing technologies coupled with machine learning algorithms have resulted in novel developments. Further research is required to investigate the full potential of deep learning models and address the challenges associated with the generation of sequences, like the large search space of possible sequences. In this study, we propose a workflow that integrates an attention mechanism within a framework of a generative variational autoencoder, to generate novel sequences by expanding latent memory. They show 100 % novelty compared with the dataset, and approximately 88 % of them show negative values for the minimum free energy, which may indicate the likelihood of an RNA sequence folding into a functional structure. Because the field of aptamer discovery is affected by data scarcity, advanced strategies that facilitate the generation of diverse and superior sequences are necessitated. The utilization of our workflow can result in novel aptamers. Thus, investigations such as the present study can address the abovementioned challenge. Our research is anticipated to facilitate further discoveries and advancements in aptamer fields.