Papers › Self-Guided Masked Autoencoders for Domain-Agnostic Self-Supervised Learning

Self-Guided Masked Autoencoders for Domain-Agnostic Self-Supervised Learning

22 Feb 2024arXiv:2402.14789archive 2025-07-28

Johnathan Xie, Yoonho Lee, Annie S. Chen, Chelsea Finn

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.

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check_number_comma johnathan-xie/sma/src/transformers/convert_slow_tokenizer.py official repository ran Apache-2.0 (permissive) · a727df5fd2f5599a · report
cosine_scheduler johnathan-xie/sma/src/transformers/models/sma/modeling_sma.py official repository ran Apache-2.0 (permissive) · 1e4b7ef652519a56 · report
create_vocab johnathan-xie/sma/src/transformers/models/sma/tokenization_sma.py official repository ran Apache-2.0 (permissive) · 400c88e8ff1249dd · report
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ensure_valid_input johnathan-xie/sma/src/transformers/convert_graph_to_onnx.py official repository ran Apache-2.0 (permissive) · b220e701be05a184 · report
generate_identified_filename johnathan-xie/sma/src/transformers/convert_graph_to_onnx.py official repository ran Apache-2.0 (permissive) · 7efe3db5c9e2f94d · report
invert_attention_mask johnathan-xie/sma/src/transformers/models/sma/modeling_sma.py official repository ran Apache-2.0 (permissive) · 6e02aa508f18b20f · report
load_vocab johnathan-xie/sma/src/transformers/models/sma/tokenization_sma.py official repository ran · our draft was wrong Apache-2.0 (permissive) · e7fbc7a74a3457c7 · report
convert_slow_tokenizer johnathan-xie/sma/src/transformers/convert_slow_tokenizer.py official repository unverified Apache-2.0 (permissive) · 9d93436a1b858d0e · report
create_transforms johnathan-xie/sma/src/transformers/models/sma/transforms_sma.py official repository unverified Apache-2.0 (permissive) · 9dbff79b658755c9 · report
gelu_fast johnathan-xie/sma/src/transformers/activations_tf.py official repository unverified Apache-2.0 (permissive) · 37a5eed2dbd663ca · report
get_configuration_file johnathan-xie/sma/src/transformers/configuration_utils.py official repository unverified Apache-2.0 (permissive) · dd3166a87bc972ff · report
infer_shapes johnathan-xie/sma/src/transformers/convert_graph_to_onnx.py official repository unverified Apache-2.0 (permissive) · 0da835817b8a57bc · report
mish johnathan-xie/sma/src/transformers/activations_tf.py official repository unverified Apache-2.0 (permissive) · cc8c8c3ebf0c343f · report
quick_gelu johnathan-xie/sma/src/transformers/activations_tf.py official repository unverified Apache-2.0 (permissive) · e2d56cb91f999bef · report

Tasks

Molecular Property PredictionProperty PredictionSelf-Supervised Learning

Results from the paper archive 2025-07-28

TaskDatasetModelMetricValueRank at snapshotLeaderboardReport
Molecular Property Prediction BACE SMA ROC-AUC 84.3 #6 of 20 Archive leaderboard report
Molecular Property Prediction BBBP SMA ROC-AUC 75.0 #13 of 29 Archive leaderboard report
Molecular Property Prediction ESOL SMA RMSE 0.623 #11 of 20 Archive leaderboard report
Molecular Property Prediction FreeSolv SMA RMSE 1.09 #10 of 22 Archive leaderboard report
Molecular Property Prediction HIV dataset SMA AUC 0.789 #5 of 11 Archive leaderboard report
Molecular Property Prediction Lipophilicity SMA RMSE 0.609 #2 of 13 Archive leaderboard report

Ranks are positions in the archive's leaderboards as they stood at the 2025-07-28 snapshot. Results published since then are not among these rows, so a rank here is not a current standing.

Methods

SMA

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