microsoft / microsoft/Graphormer
How to evaluate for dataset zinc?
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Description
Thanks for the code. Good job.
I train graphormer_slim in zinc dataset by bash examples/property_prediction/zinc.sh.
Then I try to evalute it by:
python graphormer/evaluate/evaluate.py \
--user-dir graphormer \
--num-workers 16 \
--ddp-backend=legacy_ddp \
--dataset-name zinc \
--dataset-source pyg \
--task graph_prediction \
--criterion l1_loss \
--arch graphormer_slim \
--num-classes 1 \
--batch-size 64 \
--save-dir exp/checkpoints_dir/ckpts_zinc \
--metric mae \
--split test
An error happen:
TypeError: mean() received an invalid combination of arguments - got (out=NoneType, dtype=NoneType, axis=NoneType, ), but expected one of:
* (*, torch.dtype dtype)
* (tuple of ints dim, bool keepdim, *, torch.dtype dtype)
* (tuple of names dim, bool keepdim, *, torch.dtype dtype)
I change the code
mae = np.mean(np.abs(y_true-y_pred))
to
mae = torch.nn.functional.l1_loss(y_true, y_pred)
But got the mae in zinc dataset is :
2022-01-10 14:40:42 | INFO | graphormer.tasks.graph_prediction | Loaded test with #samples: 5000
2022-01-10 14:40:46 | INFO | __main__ | mae: 0.06235151365399361
Is this result normal? I doubt that I make some mistakes.
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First steps
- Read the whole issue, then the project's contributing guide.
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Research direction
Start with graphormer/evaluate/evaluate.py and the evaluation path invoked by examples/property_prediction/zinc.sh. Reproduce the zinc test evaluation using the command and checkpoint details in the issue, then inspect how y_true and y_pred are passed to the MAE calculation. Done means the evaluation runs without the reported TypeError and the expected zinc MAE is clarified or covered by a regression test.
Written by the indexing model from the issue text.
Assessment
- Tech stack
- python, pytorch
- Domain
- machine-learning
- Issue type
- Bug
- Difficulty
- 3/5
- Estimated time
- 1-2 days
- Activity status
- Stale
- Clarity
- Mostly clear
- Newbie friendliness
- 35/100