Repository navigation
exp364: redesign-only training results and checkpoint publication - #367
Draft
timodonnell wants to merge 56 commits into
Draft
timodonnell wants to merge 56 commits into
timodonnell wants to merge 56 commits into
Conversation
This branch has not been deployed
This file contains hidden or bidirectional Unicode text that may be interpreted or compiled differently than what appears below. To review, open the file in an editor that reveals hidden Unicode characters.
Learn more about bidirectional Unicode characters
Sign up for free
to join this conversation on GitHub.
Already have an account?
Sign in to comment
Add this suggestion to a batch that can be applied as a single commit.This suggestion is invalid because no changes were made to the code.Suggestions cannot be applied while the pull request is closed.Suggestions cannot be applied while viewing a subset of changes.Only one suggestion per line can be applied in a batch.Add this suggestion to a batch that can be applied as a single commit.Applying suggestions on deleted lines is not supported.You must change the existing code in this line in order to create a valid suggestion.Outdated suggestions cannot be applied.This suggestion has been applied or marked resolved.Suggestions cannot be applied from pending reviews.Suggestions cannot be applied on multi-line comments.Suggestions cannot be applied while the pull request is queued to merge.Suggestion cannot be applied right now. Please check back later.
Train exp277's 1.47B contacts-v1 recipe on 162,574,724 ProteinMPNN redesign documents, excluding native-sequence training documents. The 5e-4 and 1e-3 parents completed exactly two epochs (47,842,378 packed examples, 373769 optimizer updates, final checkpoint 373768). Both one-epoch cooldown forks completed at step 186884. The diverged 2e-3 run was cancelled at approximately 1.369 epochs and is excluded from automatic recovery. No training or evaluation jobs remain active.
The final 5e-4 checkpoint is strongest among these redesign-only runs on natural eval-val proteins: +0.06170 all-range R-precision over its GPU one-epoch fork and −0.03040 versus the full-data default. On eval-denovo its gap to the default is −0.02255; its +0.00431 difference versus the TPU one-epoch fork is a practical tie. These are point estimates; training exposures/schedules differ and eval-denovo has only 19 proteins. A matched redesign-only sequence-KNN null is unavailable.
Both final checkpoints were scored on 97 eval-val + 19 eval-denovo proteins with 100 randomized-prompt rollouts each: temperature 1, top-p 0.95, top-k disabled, seed 0, initial budget 6L+128, approved prefix-preserving continuation within 8192 tokens. Live-contact votes use exp89's fixed candidate universe and metrics. All 23,200 production rollouts completed with zero unfinished samples or extensions. Two independent regional H100 jobs (
/bizon/exp364-contact-eval-lr5e-4-a08,/bizon/exp364-contact-eval-lr1e-3-a08) succeeded around November 2, 14:08 EST, with zero failures/preemptions and zero model egress. No eval-test or legacy inference was performed.Per-protein scores, timings, bootstrap intervals, subgroup summaries, source/file manifests, validation curves and the final comparison figure are committed and publicly available. Final comparison plot. October 21/29 snapshots are preserved separately; October 29 parent scores describe earlier checkpoints.
Checkpoint handoff for #373: use
contacts-v1-exp364-mpnn-only-2ep-lr5e-4-1.5B-step-373768. Its verified HF-format export and co-located tokenizer are at:Exact six-file SHA-256 manifest, key
lr5e-4; total 5,885,614,887 bytes, float32 on disk / bfloat16 for inference. Training run. The experiment README records the native full-state path, trained configuration and complete handoff. The separate #373 agent owns its writeup and new diversity/Neff analysis; existing aggregate votes do not replace individual rollout samples needed for that study.The public HF checkpoint and optional
MODELS.yamlentry added by this PR are the one-epoch model,contacts-v1-exp364-mpnn-only-1ep-lr5e-4-cooldown-1.5B, step 186884. The two-epoch weights are currently in CoreWeave S3 and are not yet published or registered under a public nickname. Public evaluation artifacts are available for both. Exp277 remains the default.Operational code preserves the scientific recipe and checkpoint identity through preemptions, credential rotation and finite-loader/padding fixes. Regional verification checks every exported parameter for finiteness, tokenizer/config presence and exact native trainer/optimizer/LR counters. The approved TPU ingress was 267.73 GB; bounded TPU-checkpoint transfer for CUDA evaluation totaled 8.828 GB. CoreWeave training and final-parent evaluation stayed regional.
Validation: training/loader and padding-gradient regressions; GPU/TPU restore smokes; 37 evaluation/generation checks; three finite-export checks and full final-weight/native-counter verification; 14 registry tests and anonymous one-epoch publication checks; independent completeness/identity validation of every final result and timing row; Ruff; regenerated and inspected figures/summary slides. Latest changes are documentation and handoff details. Tracks #364; the experiment issue remains open.