Fig. 3: Ablation results of AEGCNN-MTL on the BDG dataset.

Prediction errors for band gap and work function across different models: M1–M4 and the AEGCNN-MTL. Blue bars represent the mean absolute error (MAE) of band gap, orange bars represent the MAE of work function, green bars represent the root mean square error (RMSE) of band gap, and purple bars represent the RMSE of work function. Error values consistently decrease as modules are added.