run CIGA on GOODPCBA dataset got error

[czstudio]

$ goodtg --config_path final_configs/GOODPCBA/scaffold/covariate/CIGAv2.yaml This logger will substitute general print function

INFO: ----------------------------------- Task: train Thu Oct 5 23:19:49 2023 INFO: Load Dataset GOODPCBA DEBUG: 10/05/2023 11:19:51 PM : Dataset: {'train': GOODPCBA(262764), 'id_val': GOODPCBA(43792), 'id_test': GOODPCBA(43792), 'val': GOODPCBA(44019), 'test': GOODPCBA(43562), 'task': 'Binary classification', 'metric': 'Average Precision'} DEBUG: 10/05/2023 11:19:51 PM : Data(x=[21, 9], edge_index=[2, 46], edge_attr=[46, 3], y=[1, 128], smiles='CC1CCN(C(=O)CN2CC(C)Sc3ccccc32)CC1', idx=[1], scaffold='O=C(CN1CCSc2ccccc21)N1CCCCC1', domain_id=[1], env_id=[1]) INFO: Loading model... DEBUG: 10/05/2023 11:19:51 PM : Config model DEBUG: 10/05/2023 11:19:53 PM : Load training utils INFO: Epoch 0: 0%|░░░░░░░░░░░░░░░░░░░░| 0/8212 [00:00<?, ?it/s]tensor(2550, device='cuda:0') torch.Size([32, 300]) torch.Size([32, 128]) torch.Size([32, 128]) 0%|░░░░░░░░░░░░░░░░░░░░| 0/8212 [00:01<?, ?it/s] ERROR: 10/05/2023 11:19:54 PM - utils.py - line 87 : Traceback (most recent call last): File "/home/cz/miniconda3/envs/py38/bin/goodtg", line 33, in sys.exit(load_entry_point('graph-ood', 'console_scripts', 'goodtg')()) File "/home/cz/code/GOOD-GOODv1/GOOD/kernel/main.py", line 69, in goodtg main() File "/home/cz/code/GOOD-GOODv1/GOOD/kernel/main.py", line 60, in main pipeline.load_task() File "/home/cz/code/GOOD-GOODv1/GOOD/kernel/pipelines/basic_pipeline.py", line 231, in load_task self.train() File "/home/cz/code/GOOD-GOODv1/GOOD/kernel/pipelines/basic_pipeline.py", line 113, in train train_stat = self.train_batch(data, pbar) # train_stat是一个字典，包含loss File "/home/cz/code/GOOD-GOODv1/GOOD/kernel/pipelines/basic_pipeline.py", line 74, in train_batch loss = self.ood_algorithm.loss_calculate(raw_pred, targets, mask, node_norm, self.config) File "/home/cz/code/GOOD-GOODv1/GOOD/ood_algorithms/algorithms/CIGA.py", line 81, in loss_calculate assert self.rep_out.size(0)==targets[mask].size(0), print(mask.sum(),self.rep_out.size(),targets.size(),mask.size()) AssertionError: None

[czstudio]

also cannot work on GOODPCBA dataset

[LFhase]

Hi @czstudio the original version of CIGA does not support sampling with continuous labels in regression tasks. There might exist some instant solutions such as converting the continuous labels into discrete labels or changing the sampling criteria according to the label distance (instead of the exact match).