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diff --git a/logs/ogbg-molbace_0.log b/logs/ogbg-molbace_0.log new file mode 100644 index 0000000..6a66adb --- /dev/null +++ b/logs/ogbg-molbace_0.log @@ -0,0 +1,683 @@ +[run] ogbg-molbace view=gin compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view gin --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +Downloading http://snap.stanford.edu/ogb/data/graphproppred/csv_mol_download/bace.zip +
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Downloaded 0.00 GB: 100%|██████████| 2/2 [00:00<00:00, 2616.53it/s] +Processing... +Extracting /orion/u/oscarwan/rrog-gnn-runner/data/ogb/bace.zip +Loading necessary files... +This might take a while. +Processing graphs... +
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100%|██████████| 1513/1513 [00:00<00:00, 143288.97it/s] +Converting graphs into PyG objects... +
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100%|██████████| 1513/1513 [00:00<00:00, 86863.43it/s] +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/ogb/graphproppred/dataset_pyg.py:156: UserWarning: The given NumPy array is not writable, and PyTorch does not support non-writable tensors. This means writing to this tensor will result in undefined behavior. You may want to copy the array to protect its data or make it writable before converting it to a tensor. This type of warning will be suppressed for the rest of this program. (Triggered internally at /pytorch/torch/csrc/utils/tensor_numpy.cpp:203.) + g.y = torch.from_numpy(graph_label[i]).view(1,-1).to(torch.long) +Done! +Saving... +ep10 val_rocauc=0.65055 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.61502 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.64872 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.64176 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.63370 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.63040 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.64359 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.64615 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.64799 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.65201 halt=0.00 train_steps=1.00 +[ogbg-molbace_gin_classic_T0_ns1_h128_e100_s0] best_ep=100 val={'rocauc': 0.652014652014652} test={'rocauc': 0.7336115458181186} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_gin_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=gin compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view gin --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.43810 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.62821 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.57289 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.63077 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.64469 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.57070 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.63480 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.65385 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.64029 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.64469 halt=0.00 train_steps=3.00 +[ogbg-molbace_gin_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=80 val={'rocauc': 0.6538461538461539} test={'rocauc': 0.7169187967310032} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_gin_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=gine compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view gine --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.55385 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.61978 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.66410 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.58571 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.61868 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.60183 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.60403 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.63297 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.63004 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.62821 halt=0.00 train_steps=1.00 +[ogbg-molbace_gine_classic_T0_ns1_h128_e100_s0] best_ep=30 val={'rocauc': 0.6641025641025642} test={'rocauc': 0.7454355764214919} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_gine_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=gine compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view gine --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.56447 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.64249 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.58901 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.66850 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.64945 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.63516 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.64469 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.63150 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.61941 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.62308 halt=0.00 train_steps=3.00 +[ogbg-molbace_gine_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=40 val={'rocauc': 0.6684981684981685} test={'rocauc': 0.6993566336289341} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_gine_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=gcn compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view gcn --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.57326 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.60037 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.63773 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.62161 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.63810 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.60842 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.60916 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.61282 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.61429 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.61209 halt=0.00 train_steps=1.00 +[ogbg-molbace_gcn_classic_T0_ns1_h128_e100_s0] best_ep=50 val={'rocauc': 0.638095238095238} test={'rocauc': 0.7393496783168144} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_gcn_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=gcn compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view gcn --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.55128 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.63114 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.59817 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.63736 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.63040 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.62381 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.61648 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.61978 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.61282 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.61502 halt=0.00 train_steps=3.00 +[ogbg-molbace_gcn_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=40 val={'rocauc': 0.6373626373626374} test={'rocauc': 0.7732568249000173} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_gcn_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=graphsage compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view graphsage --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.60696 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.60989 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.65824 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.65531 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.67582 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.66667 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.67363 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.66630 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.67143 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.66960 halt=0.00 train_steps=1.00 +[ogbg-molbace_graphsage_classic_T0_ns1_h128_e100_s0] best_ep=50 val={'rocauc': 0.6758241758241759} test={'rocauc': 0.7758650669448792} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_graphsage_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=graphsage compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view graphsage --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.60696 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.64469 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.67033 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.62894 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.63260 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.64835 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.63956 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.64982 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.64432 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.64762 halt=0.00 train_steps=3.00 +[ogbg-molbace_graphsage_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=30 val={'rocauc': 0.6703296703296704} test={'rocauc': 0.7118761954442706} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_graphsage_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=gatv2 compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view gatv2 --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.59963 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.66227 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.61795 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.64286 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.65897 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.70183 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.70293 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.68755 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.68718 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.69011 halt=0.00 train_steps=1.00 +[ogbg-molbace_gatv2_classic_T0_ns1_h128_e100_s0] best_ep=70 val={'rocauc': 0.702930402930403} test={'rocauc': 0.7400452095287776} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_gatv2_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=gatv2 compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view gatv2 --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.65238 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.59597 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.70256 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.67692 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.70256 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.69048 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.66777 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.67656 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.67509 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.67326 halt=0.00 train_steps=3.00 +[ogbg-molbace_gatv2_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=30 val={'rocauc': 0.7025641025641026} test={'rocauc': 0.751869240132151} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_gatv2_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=graphconv compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view graphconv --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.64652 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.73114 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.70586 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.67289 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.64945 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.66886 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.67546 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.66374 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.65934 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.65934 halt=0.00 train_steps=1.00 +[ogbg-molbace_graphconv_classic_T0_ns1_h128_e100_s0] best_ep=20 val={'rocauc': 0.7311355311355311} test={'rocauc': 0.8035124326204138} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_graphconv_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=graphconv compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view graphconv --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.61722 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.70916 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.69634 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.74615 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.61136 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.63260 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.64286 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.64029 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.65128 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.65092 halt=0.00 train_steps=3.00 +[ogbg-molbace_graphconv_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=40 val={'rocauc': 0.7461538461538462} test={'rocauc': 0.7982959485306903} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_graphconv_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=transformer compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view transformer --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.61355 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.61465 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.60403 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.58242 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.64469 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.64652 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.66484 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.66044 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.66630 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.66593 halt=0.00 train_steps=1.00 +[ogbg-molbace_transformer_classic_T0_ns1_h128_e100_s0] best_ep=90 val={'rocauc': 0.6663003663003664} test={'rocauc': 0.7363936706659711} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_transformer_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=transformer compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view transformer --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.54286 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.62234 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.62967 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.64469 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.62491 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.67179 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.68938 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.69487 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.69817 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.69744 halt=0.00 train_steps=3.00 +[ogbg-molbace_transformer_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=90 val={'rocauc': 0.6981684981684982} test={'rocauc': 0.7487393496783169} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_transformer_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=pna compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view pna --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep10 val_rocauc=0.61758 halt=0.00 train_steps=1.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep20 val_rocauc=0.61758 halt=0.00 train_steps=1.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep30 val_rocauc=0.58608 halt=0.00 train_steps=1.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep40 val_rocauc=0.67582 halt=0.00 train_steps=1.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep50 val_rocauc=0.72784 halt=0.00 train_steps=1.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep60 val_rocauc=0.68278 halt=0.00 train_steps=1.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep70 val_rocauc=0.72711 halt=0.00 train_steps=1.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep80 val_rocauc=0.73810 halt=0.00 train_steps=1.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep90 val_rocauc=0.75165 halt=0.00 train_steps=1.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep100 val_rocauc=0.75092 halt=0.00 train_steps=1.00 +[ogbg-molbace_pna_classic_T0_ns1_h128_e100_s0] best_ep=90 val={'rocauc': 0.7516483516483518} test={'rocauc': 0.6911841418883674} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_pna_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=pna compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view pna --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep10 val_rocauc=0.50256 halt=0.00 train_steps=3.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep20 val_rocauc=0.40623 halt=0.00 train_steps=3.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep30 val_rocauc=0.53407 halt=0.00 train_steps=3.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep40 val_rocauc=0.54249 halt=0.00 train_steps=3.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep50 val_rocauc=0.62051 halt=0.00 train_steps=3.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep60 val_rocauc=0.63736 halt=0.00 train_steps=3.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep70 val_rocauc=0.68095 halt=0.00 train_steps=3.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep80 val_rocauc=0.70220 halt=0.00 train_steps=3.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep90 val_rocauc=0.70110 halt=0.00 train_steps=3.00 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep100 val_rocauc=0.70366 halt=0.00 train_steps=3.00 +[ogbg-molbace_pna_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=100 val={'rocauc': 0.7036630036630036} test={'rocauc': 0.7967310033037731} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_pna_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=gen compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view gen --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.60293 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.63663 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.59158 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.61209 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.69158 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.69744 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.71099 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.71282 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.71026 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.71136 halt=0.00 train_steps=1.00 +[ogbg-molbace_gen_classic_T0_ns1_h128_e100_s0] best_ep=80 val={'rocauc': 0.7128205128205128} test={'rocauc': 0.7325682490001738} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_gen_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=gen compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view gen --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.68938 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.62747 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.64029 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.62381 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.58425 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.61575 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.61319 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.61795 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.62161 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.61941 halt=0.00 train_steps=3.00 +[ogbg-molbace_gen_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=10 val={'rocauc': 0.6893772893772894} test={'rocauc': 0.7449139280125194} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_gen_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=film compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view film --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.63150 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.64615 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.65128 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.64396 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.63443 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.67033 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.66081 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.66740 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.65678 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.65824 halt=0.00 train_steps=1.00 +[ogbg-molbace_film_classic_T0_ns1_h128_e100_s0] best_ep=60 val={'rocauc': 0.6703296703296703} test={'rocauc': 0.7242218744566161} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_film_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=film compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view film --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.60513 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.66520 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.62747 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.61795 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.66081 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.64432 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.64396 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.63553 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.65055 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.65348 halt=0.00 train_steps=3.00 +[ogbg-molbace_film_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=20 val={'rocauc': 0.6652014652014652} test={'rocauc': 0.7242218744566163} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_film_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=resgated compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view resgated --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.67216 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.67875 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.70659 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.65238 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.65275 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.71722 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.69670 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.71136 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.71355 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.71282 halt=0.00 train_steps=1.00 +[ogbg-molbace_resgated_classic_T0_ns1_h128_e100_s0] best_ep=60 val={'rocauc': 0.7172161172161172} test={'rocauc': 0.7876890975482524} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_resgated_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=resgated compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view resgated --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.66777 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.60293 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.63663 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.66813 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.65788 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.68462 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.69121 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.67582 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.68388 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.68168 halt=0.00 train_steps=3.00 +[ogbg-molbace_resgated_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=70 val={'rocauc': 0.6912087912087912} test={'rocauc': 0.7464788732394366} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_resgated_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=tag compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view tag --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.70842 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.59634 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.60842 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.63260 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.66374 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.62308 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.65897 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.65568 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.65128 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.65092 halt=0.00 train_steps=1.00 +[ogbg-molbace_tag_classic_T0_ns1_h128_e100_s0] best_ep=10 val={'rocauc': 0.7084249084249085} test={'rocauc': 0.7344809598330725} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_tag_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=tag compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view tag --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.73553 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.63150 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.63956 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.67289 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.67216 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.70037 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.69231 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.70073 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.69963 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.70110 halt=0.00 train_steps=3.00 +[ogbg-molbace_tag_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=10 val={'rocauc': 0.7355311355311356} test={'rocauc': 0.6805772909059293} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_tag_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=sgc compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view sgc --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.65751 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.54212 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.60842 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.59414 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.61355 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.60916 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.59451 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.60476 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.60549 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.60586 halt=0.00 train_steps=1.00 +[ogbg-molbace_sgc_classic_T0_ns1_h128_e100_s0] best_ep=10 val={'rocauc': 0.6575091575091575} test={'rocauc': 0.6965745087810815} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_sgc_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=sgc compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view sgc --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.60659 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.62894 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.55641 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.64542 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.62491 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.61538 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.61429 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.61026 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.60513 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.60220 halt=0.00 train_steps=3.00 +[ogbg-molbace_sgc_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=40 val={'rocauc': 0.6454212454212455} test={'rocauc': 0.772735176491045} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_sgc_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=cheb compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view cheb --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.72674 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.70037 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.67546 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.67289 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.65641 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.69634 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.69011 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.70220 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.70073 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.69890 halt=0.00 train_steps=1.00 +[ogbg-molbace_cheb_classic_T0_ns1_h128_e100_s0] best_ep=10 val={'rocauc': 0.7267399267399268} test={'rocauc': 0.7969048861067639} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_cheb_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=cheb compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view cheb --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.67289 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.69011 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.71136 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.67546 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.69853 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.68901 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.70000 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.70366 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.70403 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.70293 halt=0.00 train_steps=3.00 +[ogbg-molbace_cheb_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=30 val={'rocauc': 0.7113553113553114} test={'rocauc': 0.7532603025560771} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_cheb_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=arma compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view arma --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.58132 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.64139 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.58608 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.65751 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.69231 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.66593 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.66300 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.66630 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.66777 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.66850 halt=0.00 train_steps=1.00 +[ogbg-molbace_arma_classic_T0_ns1_h128_e100_s0] best_ep=50 val={'rocauc': 0.6923076923076924} test={'rocauc': 0.7838636758824552} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_arma_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=arma compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view arma --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.69744 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.66667 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.68425 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.66740 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.71795 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.71429 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.69451 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.70220 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.69744 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.69560 halt=0.00 train_steps=3.00 +[ogbg-molbace_arma_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=50 val={'rocauc': 0.717948717948718} test={'rocauc': 0.7671709267953399} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_arma_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=mf compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view mf --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.66960 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.59158 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.69853 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.72088 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.71282 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.72491 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.71905 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.74212 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.73260 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.73223 halt=0.00 train_steps=1.00 +[ogbg-molbace_mf_classic_T0_ns1_h128_e100_s0] best_ep=80 val={'rocauc': 0.7421245421245422} test={'rocauc': 0.7760389497478699} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_mf_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=mf compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view mf --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.65641 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.70293 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.70366 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.71062 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.69414 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.72271 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.72344 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.72271 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.72234 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.72125 halt=0.00 train_steps=3.00 +[ogbg-molbace_mf_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=70 val={'rocauc': 0.7234432234432234} test={'rocauc': 0.7683881064162754} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_mf_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molbace view=appnp compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view appnp --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.65641 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.54982 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.64652 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.60440 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.65275 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.61172 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.61209 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.60623 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.61172 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.61465 halt=0.00 train_steps=1.00 +[ogbg-molbace_appnp_classic_T0_ns1_h128_e100_s0] best_ep=10 val={'rocauc': 0.6564102564102564} test={'rocauc': 0.7423056859676577} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_appnp_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molbace view=appnp compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molbace --view appnp --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.69560 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.59121 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.71685 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.67949 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.62747 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.64505 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.66337 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.65531 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.64615 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.64762 halt=0.00 train_steps=3.00 +[ogbg-molbace_appnp_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=30 val={'rocauc': 0.7168498168498169} test={'rocauc': 0.7209181011997913} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molbace_appnp_fixed-rrog_T1_ns3_h128_e100_s0.json + +Classic baseline: task x backbone +| task | backbone | metric | n | val | test | +| --- | --- | --- | --- | --- | --- | +| ogbg-molbace | appnp | rocauc | 1 | 0.6564 +/- 0.0000 | 0.7423 +/- 0.0000 | +| ogbg-molbace | arma | rocauc | 1 | 0.6923 +/- 0.0000 | 0.7839 +/- 0.0000 | +| ogbg-molbace | cheb | rocauc | 1 | 0.7267 +/- 0.0000 | 0.7969 +/- 0.0000 | +| ogbg-molbace | film | rocauc | 1 | 0.6703 +/- 0.0000 | 0.7242 +/- 0.0000 | +| ogbg-molbace | gatv2 | rocauc | 1 | 0.7029 +/- 0.0000 | 0.7400 +/- 0.0000 | +| ogbg-molbace | gcn | rocauc | 1 | 0.6381 +/- 0.0000 | 0.7393 +/- 0.0000 | +| ogbg-molbace | gen | rocauc | 1 | 0.7128 +/- 0.0000 | 0.7326 +/- 0.0000 | +| ogbg-molbace | gin | rocauc | 1 | 0.6520 +/- 0.0000 | 0.7336 +/- 0.0000 | +| ogbg-molbace | gine | rocauc | 1 | 0.6641 +/- 0.0000 | 0.7454 +/- 0.0000 | +| ogbg-molbace | graphconv | rocauc | 1 | 0.7311 +/- 0.0000 | 0.8035 +/- 0.0000 | +| ogbg-molbace | graphsage | rocauc | 1 | 0.6758 +/- 0.0000 | 0.7759 +/- 0.0000 | +| ogbg-molbace | mf | rocauc | 1 | 0.7421 +/- 0.0000 | 0.7760 +/- 0.0000 | +| ogbg-molbace | pna | rocauc | 1 | 0.7516 +/- 0.0000 | 0.6912 +/- 0.0000 | +| ogbg-molbace | resgated | rocauc | 1 | 0.7172 +/- 0.0000 | 0.7877 +/- 0.0000 | +| ogbg-molbace | sgc | rocauc | 1 | 0.6575 +/- 0.0000 | 0.6966 +/- 0.0000 | +| ogbg-molbace | tag | rocauc | 1 | 0.7084 +/- 0.0000 | 0.7345 +/- 0.0000 | +| ogbg-molbace | transformer | rocauc | 1 | 0.6663 +/- 0.0000 | 0.7364 +/- 0.0000 | +| ogbg-molbbbp | appnp | rocauc | 1 | 0.9147 +/- 0.0000 | 0.6388 +/- 0.0000 | +| ogbg-molbbbp | arma | rocauc | 1 | 0.9367 +/- 0.0000 | 0.6651 +/- 0.0000 | +| ogbg-molbbbp | cheb | rocauc | 1 | 0.9452 +/- 0.0000 | 0.6514 +/- 0.0000 | +| ogbg-molbbbp | film | rocauc | 1 | 0.9285 +/- 0.0000 | 0.6300 +/- 0.0000 | +| ogbg-molbbbp | gatv2 | rocauc | 1 | 0.9347 +/- 0.0000 | 0.6324 +/- 0.0000 | +| ogbg-molbbbp | gcn | rocauc | 1 | 0.9386 +/- 0.0000 | 0.6679 +/- 0.0000 | +| ogbg-molbbbp | gen | rocauc | 1 | 0.9549 +/- 0.0000 | 0.6775 +/- 0.0000 | +| ogbg-molbbbp | gin | rocauc | 1 | 0.9251 +/- 0.0000 | 0.5670 +/- 0.0000 | +| ogbg-molbbbp | gine | rocauc | 1 | 0.9324 +/- 0.0000 | 0.6160 +/- 0.0000 | +| ogbg-molbbbp | graphconv | rocauc | 1 | 0.9268 +/- 0.0000 | 0.5900 +/- 0.0000 | +| ogbg-molbbbp | graphsage | rocauc | 1 | 0.9483 +/- 0.0000 | 0.6288 +/- 0.0000 | +| ogbg-molbbbp | mf | rocauc | 1 | 0.9395 +/- 0.0000 | 0.6365 +/- 0.0000 | +| ogbg-molbbbp | pna | rocauc | 1 | 0.9554 +/- 0.0000 | 0.6418 +/- 0.0000 | +| ogbg-molbbbp | resgated | rocauc | 1 | 0.9183 +/- 0.0000 | 0.6626 +/- 0.0000 | +| ogbg-molbbbp | sgc | rocauc | 1 | 0.9300 +/- 0.0000 | 0.6239 +/- 0.0000 | +| ogbg-molbbbp | tag | rocauc | 1 | 0.9476 +/- 0.0000 | 0.6100 +/- 0.0000 | +| ogbg-molbbbp | transformer | rocauc | 1 | 0.9495 +/- 0.0000 | 0.6156 +/- 0.0000 | +| ogbg-molhiv | appnp | rocauc | 1 | 0.7675 +/- 0.0000 | 0.7000 +/- 0.0000 | +| ogbg-molhiv | arma | rocauc | 1 | 0.7872 +/- 0.0000 | 0.7296 +/- 0.0000 | +| ogbg-molhiv | cheb | rocauc | 1 | 0.7831 +/- 0.0000 | 0.7282 +/- 0.0000 | +| ogbg-molhiv | film | rocauc | 1 | 0.7922 +/- 0.0000 | 0.7842 +/- 0.0000 | +| ogbg-molhiv | gatv2 | rocauc | 1 | 0.7835 +/- 0.0000 | 0.7563 +/- 0.0000 | +| ogbg-molhiv | gcn | rocauc | 1 | 0.7754 +/- 0.0000 | 0.7198 +/- 0.0000 | +| ogbg-molhiv | gen | rocauc | 1 | 0.7530 +/- 0.0000 | 0.7314 +/- 0.0000 | +| ogbg-molhiv | gin | rocauc | 1 | 0.8167 +/- 0.0000 | 0.7724 +/- 0.0000 | +| ogbg-molhiv | gine | rocauc | 1 | 0.7942 +/- 0.0000 | 0.7445 +/- 0.0000 | +| ogbg-molhiv | graphconv | rocauc | 1 | 0.7707 +/- 0.0000 | 0.7108 +/- 0.0000 | +| ogbg-molhiv | graphsage | rocauc | 1 | 0.7969 +/- 0.0000 | 0.7625 +/- 0.0000 | +| ogbg-molhiv | mf | rocauc | 1 | 0.7845 +/- 0.0000 | 0.7074 +/- 0.0000 | +| ogbg-molhiv | pna | rocauc | 1 | 0.7780 +/- 0.0000 | 0.7648 +/- 0.0000 | +| ogbg-molhiv | resgated | rocauc | 1 | 0.8144 +/- 0.0000 | 0.7242 +/- 0.0000 | +| ogbg-molhiv | sgc | rocauc | 1 | 0.7479 +/- 0.0000 | 0.7019 +/- 0.0000 | +| ogbg-molhiv | tag | rocauc | 1 | 0.7528 +/- 0.0000 | 0.7255 +/- 0.0000 | +| ogbg-molhiv | transformer | rocauc | 1 | 0.7617 +/- 0.0000 | 0.7547 +/- 0.0000 | + +Delta vs matching classic +| task | backbone | compute | metric | n | val score (delta) | test score (delta) | steps | +| --- | --- | --- | --- | --- | --- | --- | --- | +| ogbg-molbace | appnp | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7168 (0.0604) | 0.7209 (-0.0214) | | +| ogbg-molbace | arma | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7179 (0.0256) | 0.7672 (-0.0167) | | +| ogbg-molbace | cheb | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7114 (-0.0154) | 0.7533 (-0.0436) | | +| ogbg-molbace | film | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6652 (-0.0051) | 0.7242 (0.0000) | | +| ogbg-molbace | gatv2 | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7026 (-0.0004) | 0.7519 (0.0118) | | +| ogbg-molbace | gcn | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6374 (-0.0007) | 0.7733 (0.0339) | | +| ogbg-molbace | gen | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6894 (-0.0234) | 0.7449 (0.0123) | | +| ogbg-molbace | gin | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6538 (0.0018) | 0.7169 (-0.0167) | | +| ogbg-molbace | gine | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6685 (0.0044) | 0.6994 (-0.0461) | | +| ogbg-molbace | graphconv | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7462 (0.0150) | 0.7983 (-0.0052) | | +| ogbg-molbace | graphsage | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6703 (-0.0055) | 0.7119 (-0.0640) | | +| ogbg-molbace | mf | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7234 (-0.0187) | 0.7684 (-0.0077) | | +| ogbg-molbace | pna | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7037 (-0.0480) | 0.7967 (0.1055) | | +| ogbg-molbace | resgated | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6912 (-0.0260) | 0.7465 (-0.0412) | | +| ogbg-molbace | sgc | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6454 (-0.0121) | 0.7727 (0.0762) | | +| ogbg-molbace | tag | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7355 (0.0271) | 0.6806 (-0.0539) | | +| ogbg-molbace | transformer | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6982 (0.0319) | 0.7487 (0.0123) | | +| ogbg-molbbbp | appnp | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9360 (0.0213) | 0.6073 (-0.0314) | | +| ogbg-molbbbp | arma | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9415 (0.0048) | 0.6635 (-0.0016) | | +| ogbg-molbbbp | cheb | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9278 (-0.0174) | 0.6659 (0.0145) | | +| ogbg-molbbbp | film | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9400 (0.0115) | 0.6323 (0.0023) | | +| ogbg-molbbbp | gatv2 | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9356 (0.0009) | 0.6560 (0.0235) | | +| ogbg-molbbbp | gcn | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9417 (0.0031) | 0.6017 (-0.0663) | | +| ogbg-molbbbp | gen | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9429 (-0.0119) | 0.6037 (-0.0738) | | +| ogbg-molbbbp | gin | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9526 (0.0275) | 0.5932 (0.0261) | | +| ogbg-molbbbp | gine | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9421 (0.0098) | 0.6976 (0.0816) | | +| ogbg-molbbbp | graphconv | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9337 (0.0069) | 0.6518 (0.0618) | | +| ogbg-molbbbp | graphsage | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9502 (0.0019) | 0.5934 (-0.0354) | | +| ogbg-molbbbp | mf | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9488 (0.0094) | 0.6481 (0.0116) | | +| ogbg-molbbbp | pna | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9585 (0.0031) | 0.6682 (0.0264) | | +| ogbg-molbbbp | resgated | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9535 (0.0352) | 0.5839 (-0.0787) | | +| ogbg-molbbbp | sgc | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9285 (-0.0015) | 0.6454 (0.0215) | | +| ogbg-molbbbp | tag | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9459 (-0.0017) | 0.6420 (0.0320) | | +| ogbg-molbbbp | transformer | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9355 (-0.0140) | 0.6221 (0.0065) | | +| ogbg-molhiv | appnp | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7203 (-0.0471) | 0.6825 (-0.0175) | | +| ogbg-molhiv | arma | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7926 (0.0054) | 0.7318 (0.0021) | | +| ogbg-molhiv | cheb | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7735 (-0.0096) | 0.7426 (0.0144) | | +| ogbg-molhiv | film | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7633 (-0.0288) | 0.7728 (-0.0114) | | +| ogbg-molhiv | gatv2 | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7835 (0.0001) | 0.7466 (-0.0096) | | +| ogbg-molhiv | gcn | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7833 (0.0079) | 0.7448 (0.0250) | | +| ogbg-molhiv | gcn | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7455 (-0.0300) | 0.7483 (0.0285) | | +| ogbg-molhiv | gen | fixed-rrog-T3-ns3 | rocauc | 1 | 0.8128 (0.0598) | 0.7631 (0.0318) | | +| ogbg-molhiv | gin | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7710 (-0.0457) | 0.7668 (-0.0056) | | +| ogbg-molhiv | gin | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7524 (-0.0644) | 0.7324 (-0.0400) | | +| ogbg-molhiv | gine | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7490 (-0.0453) | 0.7376 (-0.0070) | | +| ogbg-molhiv | gine | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7575 (-0.0368) | 0.7401 (-0.0044) | | +| ogbg-molhiv | graphconv | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7713 (0.0006) | 0.6979 (-0.0129) | | +| ogbg-molhiv | graphsage | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7587 (-0.0382) | 0.7641 (0.0016) | | +| ogbg-molhiv | mf | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7931 (0.0085) | 0.7217 (0.0143) | | +| ogbg-molhiv | pna | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7890 (0.0111) | 0.7630 (-0.0018) | | +| ogbg-molhiv | resgated | fixed-rrog-T3-ns3 | rocauc | 1 | 0.8174 (0.0030) | 0.7055 (-0.0187) | | +| ogbg-molhiv | sgc | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7482 (0.0003) | 0.7177 (0.0158) | | +| ogbg-molhiv | tag | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7804 (0.0276) | 0.7352 (0.0096) | | +| ogbg-molhiv | transformer | fixed-rrog-T3-ns3 | rocauc | 1 | 0.8088 (0.0471) | 0.7413 (-0.0134) | | |