Attemp to parallelize in cpu

hp_scripts/main_exp/simplicial/sccn_hetero.sh

@@ -0,0 +1,43 @@
+
+# ----Heterophilic datasets----
+# datasets=( roman_empire minesweeper )
+
+seeds=(0 3 5 7 9)
+datasets=( roman_empire minesweeper )
+lrs=(0.01 0.001)
+out_channels=(32 64 128)
+
+for seed in ${seeds[*]}
+do 
+    for lr in ${lrs[*]}
+    do
+        for out_channel in ${out_channels[*]}
+        do
+            for dataset in ${datasets[*]}
+            do
+            python ../../../topobenchmarkx/train.py \
+                dataset=$dataset \
+                model=simplicial/sccn \
+                model.optimizer.lr=$lr \
+                model.feature_encoder.out_channels=$out_channel \
+                model.backbone.n_layers=1,2,3,4 \
+                model.feature_encoder.proj_dropout=0.25,0.5 \
+                dataset.parameters.data_seed=$seed \
+                model.readout.readout_name="NoReadOut,PropagateSignalDown" \
+                dataset.transforms.graph2simplicial_lifting.signed=True \
+                dataset.parameters.batch_size=1 \
+                logger.wandb.project=TopoBenchmarkX_Simplicial \
+                trainer.max_epochs=1000 \
+                trainer.min_epochs=50 \
+                trainer.check_val_every_n_epoch=1 \
+                callbacks.early_stopping.patience=50 \
+                tags="[MainExperiment]" \
+                --multirun &
+            done
+        done
+    done
+done
+
+
+
+# Final totoal processes: 60

hp_scripts/main_exp/simplicial/sccn_tu.sh

@@ -0,0 +1,66 @@
+
+
+# ----TU graph datasets----
+# MUTAG 
+# TOTAL processes: 5
+seeds=(0 3 5 7 9)
+
+for seed in ${seeds[*]}
+do
+    python ../../../topobenchmarkx/train.py \
+    dataset=MUTAG \
+    model=simplicial/sccn \
+    model.optimizer.lr=0.01,0.001 \
+    model.feature_encoder.out_channels=32,64,128 \
+    model.backbone.n_layers=1,2,3,4 \
+    model.feature_encoder.proj_dropout=0.25,0.5 \
+    dataset.parameters.data_seed=$seed \
+    dataset.parameters.batch_size=32,64 \
+    model.readout.readout_name="NoReadOut,PropagateSignalDown" \
+    dataset.transforms.graph2simplicial_lifting.signed=True \
+    trainer.max_epochs=500 \
+    trainer.min_epochs=50 \
+    trainer.check_val_every_n_epoch=1 \
+    logger.wandb.project=TopoBenchmarkX_Simplicial \
+    callbacks.early_stopping.patience=25 \
+    tags="[MainExperiment]" \
+    --multirun &
+done
+
+
+# Train rest of the TU graph datasets (TOTAL processes: 30)
+datasets=( 'PROTEINS_TU' 'NCI1' 'NCI109' )
+seeds=(0 3 5 7 9)
+lrs=(0.01 0.001)
+
+for seed in ${seeds[*]}
+do 
+    for lr in ${lrs[*]}
+    do
+        for dataset in ${datasets[*]}
+        do
+        python ../../../topobenchmarkx/train.py \
+            dataset=$dataset \
+            model=simplicial/sccn \
+            model.optimizer.lr=$lr \
+            model.feature_encoder.out_channels=32,64,128 \
+            model.backbone.n_layers=1,2,3,4 \
+            model.feature_encoder.proj_dropout=0.25,0.5 \
+            dataset.parameters.data_seed=$seed \
+            dataset.parameters.batch_size=128,256 \
+            model.readout.readout_name="NoReadOut,PropagateSignalDown" \
+            dataset.transforms.graph2simplicial_lifting.signed=True \
+            logger.wandb.project=TopoBenchmarkX_Simplicial \
+            trainer.max_epochs=500 \
+            trainer.min_epochs=50 \
+            trainer.check_val_every_n_epoch=5 \
+            callbacks.early_stopping.patience=10 \
+            tags="[MainExperiment]" \
+            --multirun &
+        done
+    done
+done
+
+
+
+# Final totoal processes: 35

hp_scripts/main_exp/simplicial/sccn_zinc.sh

@@ -0,0 +1,39 @@
+
+# ----Graph regression dataset----
+# 
+# SCCN
+seeds=(42 3 5 23 150)
+lrs=(0.01 0.001)
+out_channels=(32 64 128)
+
+for seed in ${seeds[*]}
+do
+    for lr in ${lrs[*]}
+    do
+        for out_channel in ${out_channels[*]}
+        do
+            python ../../../topobenchmarkx/train.py \
+            dataset=ZINC \
+            seed=$seed \
+            model=simplicial/sccn \
+            model.optimizer.lr=$lr \
+            model.optimizer.weight_decay=0 \
+            model.feature_encoder.out_channels=$out_channel \
+            model.backbone.n_layers=2,4 \
+            model.feature_encoder.proj_dropout=0.25,0.5 \
+            dataset.parameters.batch_size=128,256 \
+            model.readout.readout_name="NoReadOut,PropagateSignalDown" \
+            dataset.transforms.graph2simplicial_lifting.signed=True \
+            dataset.transforms.one_hot_node_degree_features.degrees_fields=x \
+            dataset.parameters.data_seed=0 \
+            logger.wandb.project=TopoBenchmarkX_Simplicial \
+            trainer.max_epochs=500 \
+            trainer.min_epochs=50 \
+            callbacks.early_stopping.min_delta=0.005 \
+            trainer.check_val_every_n_epoch=5 \
+            callbacks.early_stopping.patience=10 \
+            tags="[MainExperiment]" \
+            --multirun &
+        done
+    done
+done

topobenchmarkx/datasets.sh

@@ -0,0 +1,18 @@
+python train.py \
+    dataset=ZINC \
+    dataset.transforms.graph2simplicial_lifting.signed=True \
+    dataset.transforms.one_hot_node_degree_features.degrees_fields=x &
+
+python train.py \
+    dataset=MUTAG \
+    dataset.transforms.graph2simplicial_lifting.signed=True &
+
+datasets=( 'PROTEINS_TU' 'NCI1' 'NCI109' 'roman_empire' 'minesweeper')
+for dataset in ${datasets[*]}
+do
+    python train.py \
+        dataset=$dataset \
+        dataset.transforms.graph2simplicial_lifting.signed=True &
+done
+
+