benchmark eba8e0f953ffead6
Browse files- .gitattributes +5 -0
- README.md +60 -0
- manifest.json +110 -0
- probe_subset.i64 +3 -0
- test.pt +3 -0
- train_families.json +3 -0
- train_offsets.i64 +3 -0
- train_three_di.u8 +3 -0
- train_tokens.u8 +3 -0
- val_select.pt +3 -0
- validation.pt +3 -0
.gitattributes
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@@ -58,3 +58,8 @@ saved_model/**/* filter=lfs diff=lfs merge=lfs -text
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# Video files - compressed
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*.mp4 filter=lfs diff=lfs merge=lfs -text
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*.webm filter=lfs diff=lfs merge=lfs -text
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# Video files - compressed
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*.mp4 filter=lfs diff=lfs merge=lfs -text
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*.webm filter=lfs diff=lfs merge=lfs -text
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probe_subset.i64 filter=lfs diff=lfs merge=lfs -text
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train_families.json filter=lfs diff=lfs merge=lfs -text
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train_offsets.i64 filter=lfs diff=lfs merge=lfs -text
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train_three_di.u8 filter=lfs diff=lfs merge=lfs -text
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train_tokens.u8 filter=lfs diff=lfs merge=lfs -text
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README.md
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---
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license: cc-by-4.0
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pretty_name: PLM speedrun, AFDB v6
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tags:
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- protein
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- masked-language-modeling
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- benchmark
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---
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# PLM speedrun, AFDB v6
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The fixed data of the SpeedrunningPLMs ten-minute protein masked language model benchmark
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([code](https://github.com/Synthyra/SpeedrunningPLMs)): AlphaFold DB proteins from the family-disjoint split of the
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Alignment Atlas (`Synthyra/alignment_atlas_families_afdb_v6` at `83737fa33e72`), tokenized once in the ESM2 alphabet, with the
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held-out splits' 15 percent masks materialized so every model is scored on the same hidden residues. No held-out
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protein has a training relative at 30 percent identity over 80 percent coverage by sequence (MMseqs2) or by structure
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(Foldseek). Benchmark id `eba8e0f953ffead6`: the SHA-256 of this manifest, carried by every run's result.
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## Objective
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A model reads a protein (CLS, residues, EOS) with 15 percent of the standard residues replaced by MASK and nothing
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else, and predicts the hidden residues; the loss is the cross entropy over the 20 standard residues on the masked
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positions. `val_select` (one protein per validation family, truncated to 1,024 tokens) selects weights in a
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run; validation and test are scored at full length (up to 2,048 tokens). The train stream is one
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uint8 token stream of 1,754,034 proteins (392,592,221 tokens, 333,143 families) in a seeded
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shuffled order, with document offsets and the Foldseek 3Di state of every residue beside it; the 3Di states are never
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an input, only the target of a reported structure probe on a fixed 20,000-protein subset.
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## Splits
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| Split | Proteins | Families | Residues | Scored (masked) residues | Width |
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|---|---|---|---|---|---|
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| test | 25,778 | 4,807 | 6,098,489 | 915,208 | 1,927 |
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| val_select | 4,751 | 4,751 | 1,066,372 | 156,231 | 1,024 |
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| validation | 25,459 | 4,751 | 5,919,918 | 889,145 | 1,978 |
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## Files
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| File | Bytes |
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|---|---|
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| `probe_subset.i64` | 160,000 |
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| `test.pt` | 149,531,512 |
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| `train_families.json` | 23,938,324 |
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| `train_offsets.i64` | 14,032,280 |
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| `train_three_di.u8` | 392,592,221 |
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| `train_tokens.u8` | 392,592,221 |
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| `val_select.pt` | 14,766,458 |
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| `validation.pt` | 151,576,442 |
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Every file's SHA-256 is in `manifest.json`; the loaders verify them.
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`train_tokens.u8` and `train_three_di.u8` are flat uint8 streams, `train_offsets.i64` the int64 start of every
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protein, `probe_subset.i64` the probe subset's indices, `train_families.json` the family of every training protein;
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`val_select.pt`, `validation.pt` and `test.pt` hold padded `input_ids`, `masked`, `three_di`, `family` and `lengths`
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tensors and the list of `families`. `speedrunning_plms.benchmark.load_train` and `load_held_out` read them and verify the digests.
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## Source and terms
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AlphaFold DB sequences (CC-BY-4.0) and Foldseek 3Di states, through the Alignment Atlas family split; the source
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dataset's taxonomy is not audited here (see the workspace record).
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manifest.json
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{
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"files": {
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"probe_subset.i64": {
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"bytes": 160000,
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"test.pt": {
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"bytes": 149531512,
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"sha256": "c3de0d7e028b84868dec49e7f72220b4b62c26ede74e5911ceb1d1093d9cefe0"
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"train_families.json": {
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"bytes": 23938324,
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"sha256": "4b558fb4cfe9e80a18db4a6e987efd5bc1796b481a26753e767268e7a081fe50"
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"length_bins": [
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[
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50,
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[
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100,
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250
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[
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250,
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[
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500,
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[
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],
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"mask_seed": 20261028,
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"max_tokens": {
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"test": 2048,
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},
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"objective": {
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"classes": "ACDEFGHIKLMNPQRSTVWY",
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"cross_entropy": "collapse_free",
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"loss": "masked residues",
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"mask_rate": 0.15,
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"masked": "standard residues",
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"replacement": "mask_only"
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},
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"schema_version": 2,
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"shuffle_seed": 0,
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"source": {
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"repo_id": "Synthyra/alignment_atlas_families_afdb_v6",
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"revision": "83737fa33e72b74faeb5b046a45a327f660ad116"
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},
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"splits": {
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"test": {
|
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"families": 4807,
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"proteins": 25778,
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"residues": 6098489,
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"scored_residues": 915208,
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"width": 1927
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},
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"val_select": {
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"families": 4751,
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"proteins": 4751,
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"residues": 1066372,
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"scored_residues": 156231,
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"width": 1024
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},
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"validation": {
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"families": 4751,
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"proteins": 25459,
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"residues": 5919918,
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| 97 |
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"scored_residues": 889145,
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"width": 1978
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}
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},
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"tokenizer": "esm2",
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"train": {
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"families": 333143,
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"probe_subset": 20000,
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| 105 |
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"proteins": 1754034,
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"tokens": 392592221
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},
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"vocab_size": 33
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}
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probe_subset.i64
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version https://git-lfs.github.com/spec/v1
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oid sha256:5cc6afa12e994e3209c751c4070fcf612da386c589972a00465b1a9202dcf334
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size 160000
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test.pt
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version https://git-lfs.github.com/spec/v1
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oid sha256:c3de0d7e028b84868dec49e7f72220b4b62c26ede74e5911ceb1d1093d9cefe0
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size 149531512
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train_families.json
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version https://git-lfs.github.com/spec/v1
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size 23938324
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train_offsets.i64
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version https://git-lfs.github.com/spec/v1
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size 14032280
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train_three_di.u8
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version https://git-lfs.github.com/spec/v1
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size 392592221
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train_tokens.u8
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version https://git-lfs.github.com/spec/v1
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size 392592221
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val_select.pt
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version https://git-lfs.github.com/spec/v1
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size 14766458
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validation.pt
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version https://git-lfs.github.com/spec/v1
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size 151576442
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