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Merge pull request #445 from datamol-io/baselines
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Fixed the CE or BCE to CE or MSE
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DomInvivo authored Aug 26, 2023
2 parents 8358a0d + 3a80e27 commit 95ece97
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Expand Up @@ -65,7 +65,7 @@ Below is the loss on the training set. One can observe that the multi-task model

This is not surprising as they contain two orders of magnitude more datapoints and pose a significant challenge for the relatively small models used in this analysis. This favors the Single dataset setup (which uses a model of the same size) and we conjecture larger models to bridge this gap moving forward.

| | | CE or BCE loss in single-task $\downarrow$ | CE or BCE loss in multi-task $\downarrow$ |
| | | CE or MSE loss in single-task $\downarrow$ | CE or MSE loss in multi-task $\downarrow$ |
|------------|-------|-----------------------------------------|-----------------------------------------|
| | | | |
| **Pcqm4m\_g25** | GCN | **0.2660 ± 0.0005** | 0.2767 ± 0.0015 |
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