Profile Prediction: An Alignment-Based Pre-Training Task for Protein Sequence Models (2012.00195v1)

Abstract: For protein sequence datasets, unlabeled data has greatly outpaced labeled data due to the high cost of wet-lab characterization. Recent deep-learning approaches to protein prediction have shown that pre-training on unlabeled data can yield useful representations for downstream tasks. However, the optimal pre-training strategy remains an open question. Instead of strictly borrowing from NLP in the form of masked or autoregressive LLMing, we introduce a new pre-training task: directly predicting protein profiles derived from multiple sequence alignments. Using a set of five, standardized downstream tasks for protein models, we demonstrate that our pre-training task along with a multi-task objective outperforms masked LLMing alone on all five tasks. Our results suggest that protein sequence models may benefit from leveraging biologically-inspired inductive biases that go beyond existing LLMing techniques in NLP.