start 2026-10-04T22:05:25Z
cmd: python -m model_zoo.train embcos --dataset massspecgym --candidate-map official_candidates_by_mass --split smoke_formula_seed1_valonly --config smoke --workers 3 --no-logger --wandb-run-name smoke_embcos --result-path /Users/timrichardson/Documents/projects/personal/blog/rewire.it/workbench/outputs/blog-post-msms-model-selection-20261003-230223/runs/S04-smoke-embcos-20261004T220402Z/result.json
Seed set to 42
GPU available: True (mps), used: True
TPU available: False, using: 0 TPU cores
💡 Tip: For seamless cloud logging and experiment tracking, try installing [litlogger](https://pypi.org/project/litlogger/) to enable LitLogger, which logs metrics and artifacts automatically to the Lightning Experiments platform.

  | Name         | Type         | Params | Mode  | FLOPs
--------------------------------------------------------------
0 | fc_ms        | AlignmentMLP | 12.7 M | train | 0    
1 | fc_mol       | AlignmentMLP | 1.0 M  | train | 0    
  | other params | n/a          | 1      | n/a   | n/a  
--------------------------------------------------------------
13.7 M    Trainable params
0         Non-trainable params
13.7 M    Total params
54.835    Total estimated model params size (MB)
18        Modules in train mode
0         Modules in eval mode
0         Total Flops

Sanity Checking: |          | 0/? [00:00<?, ?it/s]/Users/timrichardson/Documents/projects/personal/blog/rewire.it/workbench/outputs/blog-post-msms-model-selection-20261003-230223/runs/external/msalign-src/.venv/lib/python3.11/site-packages/lightning/pytorch/trainer/connectors/data_connector.py:485: Your `val_dataloader`'s sampler has shuffling enabled, it is strongly recommended that you turn shuffling off for val/test dataloaders.
/Users/timrichardson/Documents/projects/personal/blog/rewire.it/workbench/outputs/blog-post-msms-model-selection-20261003-230223/runs/external/msalign-src/.venv/lib/python3.11/site-packages/lightning/pytorch/trainer/connectors/data_connector.py:429: Consider setting `persistent_workers=True` in 'val_dataloader' to speed up the dataloader worker initialization.

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Epoch 0: 100%|██████████| 47/47 [00:54<00:00,  0.86it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510]
Epoch 0: 100%|██████████| 47/47 [00:54<00:00,  0.86it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]Epoch 0, global step 47: 'R@1 (val)' reached 0.13333 (best 0.13333), saving model to '/Users/timrichardson/Documents/projects/personal/blog/rewire.it/workbench/outputs/blog-post-msms-model-selection-20261003-230223/runs/external/msalign-src/checkpoints/paper_competitors/smoke_embcos/best-epoch=00-R@1 (val)=0.133.ckpt' as top 1

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Epoch 1:  21%|██▏       | 10/47 [00:07<00:27,  1.37it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  21%|██▏       | 10/47 [00:07<00:27,  1.37it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  23%|██▎       | 11/47 [00:07<00:24,  1.50it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  23%|██▎       | 11/47 [00:07<00:24,  1.50it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  26%|██▌       | 12/47 [00:07<00:22,  1.59it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  26%|██▌       | 12/47 [00:07<00:22,  1.59it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  28%|██▊       | 13/47 [00:09<00:23,  1.42it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  28%|██▊       | 13/47 [00:09<00:23,  1.42it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  30%|██▉       | 14/47 [00:09<00:21,  1.51it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  30%|██▉       | 14/47 [00:09<00:21,  1.51it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  32%|███▏      | 15/47 [00:09<00:19,  1.61it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  32%|███▏      | 15/47 [00:09<00:19,  1.61it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  34%|███▍      | 16/47 [00:10<00:21,  1.46it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  34%|███▍      | 16/47 [00:10<00:21,  1.46it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  36%|███▌      | 17/47 [00:11<00:19,  1.53it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  36%|███▌      | 17/47 [00:11<00:19,  1.53it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  38%|███▊      | 18/47 [00:11<00:17,  1.62it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  38%|███▊      | 18/47 [00:11<00:17,  1.62it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  40%|████      | 19/47 [00:12<00:18,  1.48it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  40%|████      | 19/47 [00:12<00:18,  1.48it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  43%|████▎     | 20/47 [00:12<00:17,  1.55it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  43%|████▎     | 20/47 [00:12<00:17,  1.55it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  45%|████▍     | 21/47 [00:12<00:15,  1.63it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  45%|████▍     | 21/47 [00:12<00:15,  1.63it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  47%|████▋     | 22/47 [00:14<00:16,  1.48it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  47%|████▋     | 22/47 [00:14<00:16,  1.48it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  49%|████▉     | 23/47 [00:14<00:15,  1.55it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  49%|████▉     | 23/47 [00:14<00:15,  1.55it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  51%|█████     | 24/47 [00:14<00:14,  1.61it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  51%|█████     | 24/47 [00:14<00:14,  1.61it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  53%|█████▎    | 25/47 [00:16<00:14,  1.50it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  53%|█████▎    | 25/47 [00:16<00:14,  1.50it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  55%|█████▌    | 26/47 [00:16<00:13,  1.56it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  55%|█████▌    | 26/47 [00:16<00:13,  1.56it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  57%|█████▋    | 27/47 [00:16<00:12,  1.62it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  57%|█████▋    | 27/47 [00:16<00:12,  1.62it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  60%|█████▉    | 28/47 [00:18<00:12,  1.52it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  60%|█████▉    | 28/47 [00:18<00:12,  1.52it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  62%|██████▏   | 29/47 [00:18<00:11,  1.57it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  62%|██████▏   | 29/47 [00:18<00:11,  1.57it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  64%|██████▍   | 30/47 [00:18<00:10,  1.62it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  64%|██████▍   | 30/47 [00:18<00:10,  1.62it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  66%|██████▌   | 31/47 [00:20<00:10,  1.54it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  66%|██████▌   | 31/47 [00:20<00:10,  1.54it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  68%|██████▊   | 32/47 [00:20<00:09,  1.58it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  68%|██████▊   | 32/47 [00:20<00:09,  1.58it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  70%|███████   | 33/47 [00:20<00:08,  1.63it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  70%|███████   | 33/47 [00:20<00:08,  1.63it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  72%|███████▏  | 34/47 [00:21<00:08,  1.55it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  72%|███████▏  | 34/47 [00:21<00:08,  1.55it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  74%|███████▍  | 35/47 [00:21<00:07,  1.59it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  74%|███████▍  | 35/47 [00:21<00:07,  1.59it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  77%|███████▋  | 36/47 [00:22<00:06,  1.63it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  77%|███████▋  | 36/47 [00:22<00:06,  1.63it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  79%|███████▊  | 37/47 [00:23<00:06,  1.55it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  79%|███████▊  | 37/47 [00:23<00:06,  1.55it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  81%|████████  | 38/47 [00:23<00:05,  1.59it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  81%|████████  | 38/47 [00:23<00:05,  1.59it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  83%|████████▎ | 39/47 [00:23<00:04,  1.63it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  83%|████████▎ | 39/47 [00:23<00:04,  1.63it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  85%|████████▌ | 40/47 [00:25<00:04,  1.56it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  85%|████████▌ | 40/47 [00:25<00:04,  1.56it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  87%|████████▋ | 41/47 [00:25<00:03,  1.59it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  87%|████████▋ | 41/47 [00:25<00:03,  1.59it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  89%|████████▉ | 42/47 [00:25<00:03,  1.63it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  89%|████████▉ | 42/47 [00:25<00:03,  1.63it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  91%|█████████▏| 43/47 [00:27<00:02,  1.56it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  91%|█████████▏| 43/47 [00:27<00:02,  1.56it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  94%|█████████▎| 44/47 [00:27<00:01,  1.60it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  94%|█████████▎| 44/47 [00:27<00:01,  1.60it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  96%|█████████▌| 45/47 [00:27<00:01,  1.63it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  96%|█████████▌| 45/47 [00:27<00:01,  1.63it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  98%|█████████▊| 46/47 [00:29<00:00,  1.57it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1:  98%|█████████▊| 46/47 [00:29<00:00,  1.57it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1: 100%|██████████| 47/47 [00:29<00:00,  1.60it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1: 100%|██████████| 47/47 [00:29<00:00,  1.60it/s, R@1 (val)=0.133, R@5 (val)=0.253, R@20 (val)=0.510, loss (train)=2.890, R@1 (train)=0.226]

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Epoch 1: 100%|██████████| 47/47 [00:53<00:00,  0.87it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=2.890, R@1 (train)=0.226]
Epoch 1: 100%|██████████| 47/47 [00:53<00:00,  0.87it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535]Epoch 1, global step 94: 'R@1 (val)' was not in top 1

Epoch 1:   0%|          | 0/47 [00:00<?, ?it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535]         
Epoch 2:   0%|          | 0/6 [00:00<?, ?it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535] 
Epoch 2:  17%|█▋        | 1/6 [00:01<00:09,  0.53it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535]
Epoch 2:  17%|█▋        | 1/6 [00:01<00:09,  0.53it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535]
Epoch 2:  33%|███▎      | 2/6 [00:01<00:03,  1.05it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535]
Epoch 2:  33%|███▎      | 2/6 [00:01<00:03,  1.05it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535]
Epoch 2:  50%|█████     | 3/6 [00:01<00:01,  1.56it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535]
Epoch 2:  50%|█████     | 3/6 [00:01<00:01,  1.56it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535]
Epoch 2:  67%|██████▋   | 4/6 [00:03<00:01,  1.04it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535]
Epoch 2:  67%|██████▋   | 4/6 [00:03<00:01,  1.04it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535]
Epoch 2:  83%|████████▎ | 5/6 [00:03<00:00,  1.28it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535]
Epoch 2:  83%|████████▎ | 5/6 [00:03<00:00,  1.28it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535]
Epoch 2: 100%|██████████| 6/6 [00:03<00:00,  1.53it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535]
Epoch 2: 100%|██████████| 6/6 [00:03<00:00,  1.53it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.710, R@1 (train)=0.535]
Epoch 2: 100%|██████████| 6/6 [00:03<00:00,  1.52it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.560, R@1 (train)=0.596]Epoch 2, global step 100: 'R@1 (val)' was not in top 1
`Trainer.fit` stopped: `max_steps=100` reached.

Epoch 2: 100%|██████████| 6/6 [00:03<00:00,  1.52it/s, R@1 (val)=0.130, R@5 (val)=0.300, R@20 (val)=0.550, loss (train)=1.560, R@1 (train)=0.596]Restoring states from the checkpoint path at /Users/timrichardson/Documents/projects/personal/blog/rewire.it/workbench/outputs/blog-post-msms-model-selection-20261003-230223/runs/external/msalign-src/checkpoints/paper_competitors/smoke_embcos/best-epoch=00-R@1 (val)=0.133.ckpt
Loaded model weights from the checkpoint at /Users/timrichardson/Documents/projects/personal/blog/rewire.it/workbench/outputs/blog-post-msms-model-selection-20261003-230223/runs/external/msalign-src/checkpoints/paper_competitors/smoke_embcos/best-epoch=00-R@1 (val)=0.133.ckpt


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Validation DataLoader 0: 100%|██████████| 19/19 [00:02<00:00,  7.57it/s]Restoring states from the checkpoint path at /Users/timrichardson/Documents/projects/personal/blog/rewire.it/workbench/outputs/blog-post-msms-model-selection-20261003-230223/runs/external/msalign-src/checkpoints/paper_competitors/smoke_embcos/best-epoch=00-R@1 (val)=0.133.ckpt
Loaded model weights from the checkpoint at /Users/timrichardson/Documents/projects/personal/blog/rewire.it/workbench/outputs/blog-post-msms-model-selection-20261003-230223/runs/external/msalign-src/checkpoints/paper_competitors/smoke_embcos/best-epoch=00-R@1 (val)=0.133.ckpt
/Users/timrichardson/Documents/projects/personal/blog/rewire.it/workbench/outputs/blog-post-msms-model-selection-20261003-230223/runs/external/msalign-src/.venv/lib/python3.11/site-packages/lightning/pytorch/trainer/connectors/data_connector.py:485: Your `test_dataloader`'s sampler has shuffling enabled, it is strongly recommended that you turn shuffling off for val/test dataloaders.
/Users/timrichardson/Documents/projects/personal/blog/rewire.it/workbench/outputs/blog-post-msms-model-selection-20261003-230223/runs/external/msalign-src/.venv/lib/python3.11/site-packages/lightning/pytorch/trainer/connectors/data_connector.py:429: Consider setting `persistent_workers=True` in 'test_dataloader' to speed up the dataloader worker initialization.

────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────
     Validate metric           DataLoader 0
────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────
        R@1 (val)           0.13333334028720856
       R@20 (val)           0.5099999904632568
        R@5 (val)           0.25333333015441895
────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────

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────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────
       Test metric             DataLoader 0
────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────
       R@1 (test)           0.12666666507720947
       R@20 (test)          0.4866666793823242
       R@5 (test)           0.25333333015441895
────────────────────────────────────────────────────────────────────────────────────────────────────────────────────────
      213.15 real       293.22 user        15.35 sys
          5275648000  maximum resident set size
                   0  average shared memory size
                   0  average unshared data size
                   0  average unshared stack size
             6635506  page reclaims
                2278  page faults
                   0  swaps
                   0  block input operations
                   0  block output operations
                2184  messages sent
                1095  messages received
                  11  signals received
              106762  voluntary context switches
              237805  involuntary context switches
        210789673087  instructions retired
        115165029517  cycles elapsed
          7549015728  peak memory footprint
exit 0 end 2026-10-04T22:08:58Z
