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MSA Transformer

ICML 2021 · Architectures and efficiency › Attention and transformers · approach: State space and recurrent sequence models · 368 citations (OpenAlex)

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Measured effects reported in the paper

What was changedWhereMeasuredEffect
Add tied row attention (shared attention map across sequences) instead of untied row attention (ablation)MSA Transformer · validation contact prediction, 100k updateslong-range P@L: more than 17 pointsHelped
Use square-root normalization for tied row attention instead of mean normalization (ablation)MSA Transformer tied row attention · validation contact prediction, 100k updateslong-range P@L: more than 6 pointsHelped
Halve embedding size (384, 30M params) (ablation)MSA Transformer · validation contact prediction, 100k updateslong-range P@L: 3.5 points lower than base modelHurt
Select input sequences by greedy diversity maximization (or hhfilter) instead of random or diversity minimizing (ablation)MSA Transformer inference · validation contact prediction, subsampled inputslong-range P@LHelped
Select input sequences by diversity minimizing (lowest hamming distance) instead of maximizing (ablation)MSA Transformer inference · validation contact prediction, subsampled inputslong-range P@LHurt
Shuffle MSA columns (destroy covariance) at inference (ablation)MSA Transformer · MSAs with 1024 sequences, long-range P@Llong-range P@L: 52.9 to 15.9Hurt
Add MSA Transformer tied row attention and MSA input vs single sequence (ESM-1b-style)unsupervised contact prediction · trRosetta test setlong-range P@L: +16.2 over ESM-1b (57.4 vs 41.1)Helped
Use MSA Transformer features instead of Potts co-evolutionary features in supervised contact pipelinesupervised contact prediction · CASP13-FMlong-range P@L: 54.5 vs 40.1 (outer concat)Helped
Use MSA Transformer representations for secondary structure prediction instead of ESM-1b or HMM profilesCB513 secondary structure · CB513 8-class accuracyaccuracy: 73.4 vs 71.6 (ESM-1b)Helped
Shuffle MSA positions (destroy sequence patterns) at inference (ablation)MSA Transformer · MSAs with 1024 sequences, long-range P@Llong-range P@L: 52.9 to 27.9Hurt

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