M. Gérard

L. I. Zablocki, L. A. Bugnon, M. Gerard et al.

Inspired by the success of large language models (LLM) for DNA and proteins, several LLM for RNA have been developed recently. RNA-LLM uses large datasets of RNA sequences to learn, in a self-supervised way, how to represent each RNA base with a semantically rich numerical vector. This is done under the hypothesis that obtaining high-quality RNA representations can enhance data-costly downstream tasks. Among them, predicting the secondary structure is a fundamental task for uncovering RNA functional mechanisms. In this work we present a comprehensive experimental analysis of several pre-trained RNA-LLM, comparing them for the RNA secondary structure prediction task in an unified deep learning framework. The RNA-LLM were assessed with increasing generalization difficulty on benchmark datasets. Results showed that two LLM clearly outperform the other models, and revealed significant challenges for generalization in low-homology scenarios.

Eugenio Borzone, Leandro Di Persia, Matias Gerard

This paper presents a novel graph-based deep learning model for tasks involving relations between two nodes (edge-centric tasks), where the focus lies on predicting relationships and interactions between pairs of nodes rather than node properties themselves. This model combines supervised and self-supervised learning, taking into account for the loss function the embeddings learned and patterns with and without ground truth. Additionally it incorporates an attention mechanism that leverages both node and edge features. The architecture, trained end-to-end, comprises two primary components: embedding generation and prediction. First, a graph neural network (GNN) transform raw node features into dense, low-dimensional embeddings, incorporating edge attributes. Then, a feedforward neural model processes the node embeddings to produce the final output. Experiments demonstrate that our model matches or exceeds existing methods for protein-protein interactions prediction and Gene Ontology (GO) terms prediction. The model also performs effectively with one-hot encoding for node features, providing a solution for the previously unsolved problem of predicting similarity between compounds with unknown structures.