Table 1.
Selecting an architecture for a model predicting protein–glycan interactions. For the task of predicting protein–glycan interactions, we trained deep learning models with varying architectures to identify a suitable model for this study. In this table, we note the differences in the various models in three modules, the arm analyzing protein sequences, the arm analyzing glycan sequences, and the downstream module combining protein and glycan information for binding prediction. Mean values from five independent training runs (Table S3, Supporting Information, n = 5) are provided for the mean squared error (MSE) and mean absolute error (MAE) on a separate test set. For each metric, the best value is shown in bold
Protein arm | Glycan arm | Combined head | MSE | MAE |
---|---|---|---|---|
RNN | SweetNet | Fully connected + Multi‐sample dropout + Sigmoid | 0.9925 | 0.501 |
ESM‐1b | SweetNet | Fully connected + Multi‐sample dropout + Sigmoid | 0.7475 | 0.4276 |
ESM‐1b + fine‐tune | SweetNet | Fully connected + Sigmoid | 0.7375 | 0.4238 |
ESM‐1b + fine‐tune | SweetNet | Fully connected + Multi‐sample dropout | 0.7415 | 0.4301 |
ESM‐1b + fine‐tune | SweetNet | Fully connected + Multi‐sample dropout + Sigmoid | 0.7283 | 0.4137 |