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Self-Guided Masked Autoencoders for Domain-Agnostic Self-Supervised Learning
Johnathan Xie Yoonho Lee Annie S. Chen Chelsea Finn

Abstract
Self-supervised learning excels in learning representations from large amounts of unlabeled data, demonstrating success across multiple data modalities. Yet, extending self-supervised learning to new modalities is non-trivial because the specifics of existing methods are tailored to each domain, such as domain-specific augmentations which reflect the invariances in the target task. While masked modeling is promising as a domain-agnostic framework for self-supervised learning because it does not rely on input augmentations, its mask sampling procedure remains domain-specific. We present Self-guided Masked Autoencoders (SMA), a fully domain-agnostic masked modeling method. SMA trains an attention based model using a masked modeling objective, by learning masks to sample without any domain-specific assumptions. We evaluate SMA on three self-supervised learning benchmarks in protein biology, chemical property prediction, and particle physics. We find SMA is capable of learning representations without domain-specific knowledge and achieves state-of-the-art performance on these three benchmarks.
Code Repositories
Benchmarks
| Benchmark | Methodology | Metrics |
|---|---|---|
| molecular-property-prediction-on | SMA | RMSE: 0.609 |
| molecular-property-prediction-on-bace-1 | SMA | ROC-AUC: 84.3 |
| molecular-property-prediction-on-bbbp-1 | SMA | ROC-AUC: 75.0 |
| molecular-property-prediction-on-esol | SMA | RMSE: 0.623 |
| molecular-property-prediction-on-freesolv | SMA | RMSE: 1.09 |
| molecular-property-prediction-on-hiv-dataset | SMA | AUC: 0.789 |
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