path: root/logs/ogbg-molhiv_T1_ns3_s1.log

[run] ogbg-molhiv view=gin compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.67381 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.73250 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.78519 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.77910 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.78799 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.76695 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.76847 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.78886 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.78626 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.78340 halt=0.00 train_steps=1.00
[ogbg-molhiv_gin_classic_T0_ns1_h128_e100_s1] best_ep=80 val={'rocauc': 0.7888619439545366} test={'rocauc': 0.7680604105911663} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gin_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=gin compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.69850 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.74071 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.69786 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.75877 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.71941 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.75137 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.78576 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.78905 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.79003 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.78834 halt=0.00 train_steps=3.00
[ogbg-molhiv_gin_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=90 val={'rocauc': 0.7900285371350186} test={'rocauc': 0.7325170435890999} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gin_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=gine compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.64062 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.69908 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.73367 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.76310 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.73530 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.76138 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.73755 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.73645 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.73763 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.72804 halt=0.00 train_steps=1.00
[ogbg-molhiv_gine_classic_T0_ns1_h128_e100_s1] best_ep=40 val={'rocauc': 0.763098912404468} test={'rocauc': 0.7342204368566407} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gine_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=gine compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.70912 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.67273 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.72222 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.73406 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.71632 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.73716 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.75690 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.75768 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.74671 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.75744 halt=0.00 train_steps=3.00
[ogbg-molhiv_gine_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=80 val={'rocauc': 0.7576823682147755} test={'rocauc': 0.7671121497132043} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gine_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=gcn compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.65329 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.76273 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.76982 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.77496 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.73880 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.76063 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.76303 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.75600 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.75729 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.75968 halt=0.00 train_steps=1.00
[ogbg-molhiv_gcn_classic_T0_ns1_h128_e100_s1] best_ep=40 val={'rocauc': 0.774963869292573} test={'rocauc': 0.7313544100890322} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gcn_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=gcn compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.62065 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.76118 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.78244 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.75010 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.79120 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.77060 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.77926 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.76151 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.76069 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.75905 halt=0.00 train_steps=3.00
[ogbg-molhiv_gcn_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=50 val={'rocauc': 0.7912043160885752} test={'rocauc': 0.7217501303617297} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gcn_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=graphsage compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.73273 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.78605 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.77469 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.77753 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.77763 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.77741 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.77440 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.78128 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.77955 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.77872 halt=0.00 train_steps=1.00
[ogbg-molhiv_graphsage_classic_T0_ns1_h128_e100_s1] best_ep=20 val={'rocauc': 0.7860541593180482} test={'rocauc': 0.7280480503679099} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_graphsage_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=graphsage compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.68881 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.78881 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.76629 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.77119 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.76368 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.75186 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.76720 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.75454 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.75202 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.74874 halt=0.00 train_steps=3.00
[ogbg-molhiv_graphsage_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=20 val={'rocauc': 0.7888068293160886} test={'rocauc': 0.709044207110991} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_graphsage_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=gatv2 compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.70967 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.77066 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.75373 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.76225 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.77558 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.75771 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.75023 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.75254 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.75438 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.75340 halt=0.00 train_steps=1.00
[ogbg-molhiv_gatv2_classic_T0_ns1_h128_e100_s1] best_ep=50 val={'rocauc': 0.7755777851263962} test={'rocauc': 0.7039629965816258} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gatv2_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=gatv2 compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.66289 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.68912 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.71125 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.71398 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.71899 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.72711 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.73926 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.73382 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.73295 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.72817 halt=0.00 train_steps=3.00
[ogbg-molhiv_gatv2_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=70 val={'rocauc': 0.7392587693513621} test={'rocauc': 0.7076787886981208} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gatv2_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=graphconv compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.73045 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.79112 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.78046 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.78181 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.75365 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.77726 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.77815 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.78157 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.78202 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.78072 halt=0.00 train_steps=1.00
[ogbg-molhiv_graphconv_classic_T0_ns1_h128_e100_s1] best_ep=20 val={'rocauc': 0.7911185822065452} test={'rocauc': 0.7552501979567006} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_graphconv_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=graphconv compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.71173 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.77306 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.76716 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.77208 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.75010 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.75761 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.74435 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.77844 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.75856 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.75935 halt=0.00 train_steps=3.00
[ogbg-molhiv_graphconv_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=80 val={'rocauc': 0.7784422153635117} test={'rocauc': 0.7098244462040595} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_graphconv_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=transformer compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.75635 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.72700 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.77672 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.76402 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.76397 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.76276 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.76204 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.73632 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.74906 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.74765 halt=0.00 train_steps=1.00
[ogbg-molhiv_transformer_classic_T0_ns1_h128_e100_s1] best_ep=30 val={'rocauc': 0.7767152900254751} test={'rocauc': 0.7883891152783947} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_transformer_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=transformer compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.74469 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.72637 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.76420 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.76498 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.73394 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.75693 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.76513 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.73841 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.73758 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.73136 halt=0.00 train_steps=3.00
[ogbg-molhiv_transformer_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=70 val={'rocauc': 0.7651320301783265} test={'rocauc': 0.749757623747079} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_transformer_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=pna compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
/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=0.71222 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=0.77237 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=0.79382 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=0.79831 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=0.78984 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=0.79521 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=0.77282 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=0.77904 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=0.77221 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=0.77298 halt=0.00 train_steps=1.00
[ogbg-molhiv_pna_classic_T0_ns1_h128_e100_s1] best_ep=40 val={'rocauc': 0.7983079805996471} test={'rocauc': 0.7485834025377083} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_pna_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=pna compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
/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=0.66012 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=0.74263 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=0.68730 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=0.76946 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=0.78428 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=0.80766 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=0.85103 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=0.82721 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=0.80115 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=0.81327 halt=0.00 train_steps=3.00
[ogbg-molhiv_pna_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=70 val={'rocauc': 0.8510281941994904} test={'rocauc': 0.7524633538693293} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_pna_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=gen compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.70215 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.70943 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.72126 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.74237 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.75415 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.77710 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.77079 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.77663 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.77879 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.77747 halt=0.00 train_steps=1.00
[ogbg-molhiv_gen_classic_T0_ns1_h128_e100_s1] best_ep=90 val={'rocauc': 0.7787851508916324} test={'rocauc': 0.7435079858629947} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gen_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=gen compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.64967 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.70673 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.75758 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.73586 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.72948 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.73563 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.73531 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.73478 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.73802 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.73543 halt=0.00 train_steps=3.00
[ogbg-molhiv_gen_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=30 val={'rocauc': 0.7575843866353126} test={'rocauc': 0.7301454257517527} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gen_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=film compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.70298 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.73054 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.72688 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.73843 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.71422 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.71582 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.68800 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.70108 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.69239 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.69946 halt=0.00 train_steps=1.00
[ogbg-molhiv_film_classic_T0_ns1_h128_e100_s1] best_ep=40 val={'rocauc': 0.7384259259259259} test={'rocauc': 0.7277853956237085} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_film_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=film compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.57982 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.76051 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.75530 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.74002 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.73811 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.76883 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.77568 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.77672 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.76181 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.76335 halt=0.00 train_steps=3.00
[ogbg-molhiv_film_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=80 val={'rocauc': 0.7767214138741916} test={'rocauc': 0.721711504664053} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_film_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=resgated compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.72395 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.76516 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.75055 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.78604 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.78080 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.77578 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.76166 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.77023 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.75281 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.74789 halt=0.00 train_steps=1.00
[ogbg-molhiv_resgated_classic_T0_ns1_h128_e100_s1] best_ep=40 val={'rocauc': 0.7860449735449736} test={'rocauc': 0.715921512582321} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_resgated_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=resgated compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.72839 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.75459 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.72771 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.78256 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.81516 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.75649 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.77860 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.76988 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.77731 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.77520 halt=0.00 train_steps=3.00
[ogbg-molhiv_resgated_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=50 val={'rocauc': 0.8151638741916519} test={'rocauc': 0.7581278124336122} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_resgated_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=tag compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.58770 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.68145 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.72067 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.73392 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.70822 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.71426 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.70873 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.72983 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.72147 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.71378 halt=0.00 train_steps=1.00
[ogbg-molhiv_tag_classic_T0_ns1_h128_e100_s1] best_ep=40 val={'rocauc': 0.7339157113462669} test={'rocauc': 0.7487765310260917} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_tag_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=tag compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.55144 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.60799 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.70607 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.69128 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.72045 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.74126 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.72293 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.71634 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.71546 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.72607 halt=0.00 train_steps=3.00
[ogbg-molhiv_tag_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=60 val={'rocauc': 0.7412612678816383} test={'rocauc': 0.7289634794028468} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_tag_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=sgc compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.72619 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.73283 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.76917 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.75675 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.76761 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.76763 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.75765 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.75903 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.75424 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.75210 halt=0.00 train_steps=1.00
[ogbg-molhiv_sgc_classic_T0_ns1_h128_e100_s1] best_ep=30 val={'rocauc': 0.7691676464824613} test={'rocauc': 0.7100407501110487} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_sgc_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=sgc compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.66342 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.66210 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.74188 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.68794 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.76040 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.74793 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.73677 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.75024 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.74898 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.74779 halt=0.00 train_steps=3.00
[ogbg-molhiv_sgc_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=50 val={'rocauc': 0.7603952331961592} test={'rocauc': 0.675208095946233} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_sgc_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=cheb compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.70465 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.74216 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.73979 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.75779 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.73594 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.73526 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.75417 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.73860 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.74738 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.74227 halt=0.00 train_steps=1.00
[ogbg-molhiv_cheb_classic_T0_ns1_h128_e100_s1] best_ep=40 val={'rocauc': 0.7577895355673133} test={'rocauc': 0.7291006006295989} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_cheb_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=cheb compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.66118 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.68799 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.73086 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.76554 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.74577 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.75891 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.73923 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.75111 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.75026 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.74760 halt=0.00 train_steps=3.00
[ogbg-molhiv_cheb_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=40 val={'rocauc': 0.7655423280423279} test={'rocauc': 0.7438594797118523} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_cheb_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=arma compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.71067 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.74686 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.73423 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.76570 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.77661 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.73695 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.77359 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.76691 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.77045 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.77618 halt=0.00 train_steps=1.00
[ogbg-molhiv_arma_classic_T0_ns1_h128_e100_s1] best_ep=50 val={'rocauc': 0.7766081226729374} test={'rocauc': 0.7197338689430077} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_arma_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=arma compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.67783 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.69752 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.73554 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.73143 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.75276 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.75716 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.75640 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.75654 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.75214 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.75103 halt=0.00 train_steps=3.00
[ogbg-molhiv_arma_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=60 val={'rocauc': 0.7571649029982364} test={'rocauc': 0.6928774213484231} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_arma_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=mf compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.74885 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.65990 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.73615 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.75659 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.75728 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.73114 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.73473 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.72317 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.72240 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.72247 halt=0.00 train_steps=1.00
[ogbg-molhiv_mf_classic_T0_ns1_h128_e100_s1] best_ep=50 val={'rocauc': 0.757284318048207} test={'rocauc': 0.7282353850016416} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_mf_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=mf compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.77872 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.76027 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.76594 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.79620 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.77028 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.78464 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.77227 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.77065 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.74908 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.74528 halt=0.00 train_steps=3.00
[ogbg-molhiv_mf_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=40 val={'rocauc': 0.796195252792475} test={'rocauc': 0.7153228142683327} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_mf_fixed-rrog_T1_ns3_h128_e100_s1.json
[run] ogbg-molhiv view=appnp compute=classic T=0 ns=1 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.67801 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.69347 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.68345 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.69070 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.64639 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.62556 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.62621 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.62966 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.63021 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.62319 halt=0.00 train_steps=1.00
[ogbg-molhiv_appnp_classic_T0_ns1_h128_e100_s1] best_ep=20 val={'rocauc': 0.6934707524985303} test={'rocauc': 0.7044149172444427} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_appnp_classic_T0_ns1_h128_e100_s1.json
[run] ogbg-molhiv view=appnp compute=fixed-rrog T=1 ns=3 device=cuda:0
python3 rrog/train_ogb_graphprop.py --dataset ogbg-molhiv --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 1 --device cuda:0
ep10 val_rocauc=0.68888 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.74622 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.69872 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.70360 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.71557 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.75122 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.73754 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.74075 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.73340 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.73030 halt=0.00 train_steps=3.00
[ogbg-molhiv_appnp_fixed-rrog_T1_ns3_h128_e100_s1] best_ep=60 val={'rocauc': 0.75122170781893} test={'rocauc': 0.7448212595840012} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_appnp_fixed-rrog_T1_ns3_h128_e100_s1.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-molclintox | appnp | rocauc | 1 | 0.8516 +/- 0.0000 | 0.9184 +/- 0.0000 |
| ogbg-molclintox | arma | rocauc | 1 | 0.9463 +/- 0.0000 | 0.8678 +/- 0.0000 |
| ogbg-molclintox | cheb | rocauc | 1 | 0.8928 +/- 0.0000 | 0.9152 +/- 0.0000 |
| ogbg-molclintox | film | rocauc | 1 | 0.9048 +/- 0.0000 | 0.7731 +/- 0.0000 |
| ogbg-molclintox | gatv2 | rocauc | 1 | 0.9515 +/- 0.0000 | 0.8493 +/- 0.0000 |
| ogbg-molclintox | gcn | rocauc | 1 | 0.9318 +/- 0.0000 | 0.8932 +/- 0.0000 |
| ogbg-molclintox | gen | rocauc | 1 | 0.9820 +/- 0.0000 | 0.8128 +/- 0.0000 |
| ogbg-molclintox | gin | rocauc | 1 | 0.9547 +/- 0.0000 | 0.8586 +/- 0.0000 |
| ogbg-molclintox | gine | rocauc | 1 | 0.9353 +/- 0.0000 | 0.8869 +/- 0.0000 |
| ogbg-molclintox | graphconv | rocauc | 1 | 0.8917 +/- 0.0000 | 0.8501 +/- 0.0000 |
| ogbg-molclintox | graphsage | rocauc | 1 | 0.9143 +/- 0.0000 | 0.8882 +/- 0.0000 |
| ogbg-molclintox | mf | rocauc | 1 | 0.9252 +/- 0.0000 | 0.8370 +/- 0.0000 |
| ogbg-molclintox | pna | rocauc | 1 | 0.9286 +/- 0.0000 | 0.8603 +/- 0.0000 |
| ogbg-molclintox | resgated | rocauc | 1 | 0.9244 +/- 0.0000 | 0.9184 +/- 0.0000 |
| ogbg-molclintox | sgc | rocauc | 1 | 0.9195 +/- 0.0000 | 0.8986 +/- 0.0000 |
| ogbg-molclintox | tag | rocauc | 1 | 0.9237 +/- 0.0000 | 0.7998 +/- 0.0000 |
| ogbg-molclintox | transformer | rocauc | 1 | 0.9271 +/- 0.0000 | 0.8764 +/- 0.0000 |
| ogbg-molesol | appnp | rmse | 1 | 1.6083 +/- 0.0000 | 1.5212 +/- 0.0000 |
| ogbg-molesol | arma | rmse | 1 | 1.0195 +/- 0.0000 | 1.0666 +/- 0.0000 |
| ogbg-molesol | cheb | rmse | 1 | 0.9650 +/- 0.0000 | 0.8722 +/- 0.0000 |
| ogbg-molesol | film | rmse | 1 | 1.0718 +/- 0.0000 | 1.2896 +/- 0.0000 |
| ogbg-molesol | gatv2 | rmse | 1 | 1.0368 +/- 0.0000 | 0.9878 +/- 0.0000 |
| ogbg-molesol | gcn | rmse | 1 | 1.0409 +/- 0.0000 | 1.1161 +/- 0.0000 |
| ogbg-molesol | gen | rmse | 1 | 1.0089 +/- 0.0000 | 0.8762 +/- 0.0000 |
| ogbg-molesol | gin | rmse | 1 | 1.0187 +/- 0.0000 | 0.9900 +/- 0.0000 |
| ogbg-molesol | gine | rmse | 1 | 1.0286 +/- 0.0000 | 1.0807 +/- 0.0000 |
| ogbg-molesol | graphconv | rmse | 1 | 0.9741 +/- 0.0000 | 0.9732 +/- 0.0000 |
| ogbg-molesol | graphsage | rmse | 1 | 0.9680 +/- 0.0000 | 1.0038 +/- 0.0000 |
| ogbg-molesol | mf | rmse | 1 | 1.1494 +/- 0.0000 | 1.0639 +/- 0.0000 |
| ogbg-molesol | pna | rmse | 1 | 0.9116 +/- 0.0000 | 0.9153 +/- 0.0000 |
| ogbg-molesol | resgated | rmse | 1 | 0.9492 +/- 0.0000 | 0.8908 +/- 0.0000 |
| ogbg-molesol | sgc | rmse | 1 | 1.0617 +/- 0.0000 | 0.9780 +/- 0.0000 |
| ogbg-molesol | tag | rmse | 1 | 0.9323 +/- 0.0000 | 0.9678 +/- 0.0000 |
| ogbg-molesol | transformer | rmse | 1 | 0.9398 +/- 0.0000 | 0.9492 +/- 0.0000 |
| ogbg-molfreesolv | appnp | rmse | 1 | 6.0462 +/- 0.0000 | 4.6478 +/- 0.0000 |
| ogbg-molfreesolv | arma | rmse | 1 | 4.2662 +/- 0.0000 | 2.9769 +/- 0.0000 |
| ogbg-molfreesolv | cheb | rmse | 1 | 2.9481 +/- 0.0000 | 2.2431 +/- 0.0000 |
| ogbg-molfreesolv | film | rmse | 1 | 3.1546 +/- 0.0000 | 2.9581 +/- 0.0000 |
| ogbg-molfreesolv | gatv2 | rmse | 1 | 4.2086 +/- 0.0000 | 2.7368 +/- 0.0000 |
| ogbg-molfreesolv | gcn | rmse | 1 | 3.7172 +/- 0.0000 | 2.4851 +/- 0.0000 |
| ogbg-molfreesolv | gen | rmse | 1 | 3.9998 +/- 0.0000 | 2.5588 +/- 0.0000 |
| ogbg-molfreesolv | gin | rmse | 1 | 4.0190 +/- 0.0000 | 3.4898 +/- 0.0000 |
| ogbg-molfreesolv | gine | rmse | 1 | 3.2961 +/- 0.0000 | 3.1442 +/- 0.0000 |
| ogbg-molfreesolv | graphconv | rmse | 1 | 2.5314 +/- 0.0000 | 2.7953 +/- 0.0000 |
| ogbg-molfreesolv | graphsage | rmse | 1 | 3.5022 +/- 0.0000 | 2.2977 +/- 0.0000 |
| ogbg-molfreesolv | mf | rmse | 1 | 2.7374 +/- 0.0000 | 2.8885 +/- 0.0000 |
| ogbg-molfreesolv | pna | rmse | 1 | 2.3625 +/- 0.0000 | 2.2610 +/- 0.0000 |
| ogbg-molfreesolv | resgated | rmse | 1 | 2.4772 +/- 0.0000 | 2.0041 +/- 0.0000 |
| ogbg-molfreesolv | sgc | rmse | 1 | 3.9147 +/- 0.0000 | 2.4146 +/- 0.0000 |
| ogbg-molfreesolv | tag | rmse | 1 | 2.6874 +/- 0.0000 | 2.3826 +/- 0.0000 |
| ogbg-molfreesolv | transformer | rmse | 1 | 4.0942 +/- 0.0000 | 2.3205 +/- 0.0000 |
| ogbg-molhiv | appnp | rocauc | 2 | 0.7305 +/- 0.0523 | 0.7022 +/- 0.0031 |
| ogbg-molhiv | arma | rocauc | 2 | 0.7819 +/- 0.0075 | 0.7247 +/- 0.0070 |
| ogbg-molhiv | cheb | rocauc | 2 | 0.7705 +/- 0.0179 | 0.7286 +/- 0.0007 |
| ogbg-molhiv | film | rocauc | 2 | 0.7653 +/- 0.0380 | 0.7560 +/- 0.0399 |
| ogbg-molhiv | gatv2 | rocauc | 2 | 0.7795 +/- 0.0056 | 0.7301 +/- 0.0370 |
| ogbg-molhiv | gcn | rocauc | 2 | 0.7752 +/- 0.0003 | 0.7256 +/- 0.0082 |
| ogbg-molhiv | gen | rocauc | 2 | 0.7659 +/- 0.0182 | 0.7374 +/- 0.0086 |
| ogbg-molhiv | gin | rocauc | 2 | 0.8028 +/- 0.0197 | 0.7702 +/- 0.0031 |
| ogbg-molhiv | gine | rocauc | 2 | 0.7787 +/- 0.0220 | 0.7394 +/- 0.0073 |
| ogbg-molhiv | graphconv | rocauc | 2 | 0.7809 +/- 0.0145 | 0.7330 +/- 0.0314 |
| ogbg-molhiv | graphsage | rocauc | 2 | 0.7915 +/- 0.0076 | 0.7453 +/- 0.0244 |
| ogbg-molhiv | mf | rocauc | 2 | 0.7709 +/- 0.0193 | 0.7178 +/- 0.0148 |
| ogbg-molhiv | pna | rocauc | 2 | 0.7881 +/- 0.0144 | 0.7567 +/- 0.0115 |
| ogbg-molhiv | resgated | rocauc | 2 | 0.8002 +/- 0.0200 | 0.7200 +/- 0.0058 |
| ogbg-molhiv | sgc | rocauc | 2 | 0.7585 +/- 0.0151 | 0.7060 +/- 0.0057 |
| ogbg-molhiv | tag | rocauc | 2 | 0.7434 +/- 0.0134 | 0.7372 +/- 0.0164 |
| ogbg-molhiv | transformer | rocauc | 2 | 0.7692 +/- 0.0106 | 0.7716 +/- 0.0238 |
| ogbg-mollipo | appnp | rmse | 1 | 0.9015 +/- 0.0000 | 0.9070 +/- 0.0000 |
| ogbg-mollipo | arma | rmse | 1 | 0.7325 +/- 0.0000 | 0.7295 +/- 0.0000 |
| ogbg-mollipo | cheb | rmse | 1 | 0.7188 +/- 0.0000 | 0.7180 +/- 0.0000 |
| ogbg-mollipo | film | rmse | 1 | 0.7620 +/- 0.0000 | 0.7371 +/- 0.0000 |
| ogbg-mollipo | gatv2 | rmse | 1 | 0.6865 +/- 0.0000 | 0.7308 +/- 0.0000 |
| ogbg-mollipo | gcn | rmse | 1 | 0.7379 +/- 0.0000 | 0.7828 +/- 0.0000 |
| ogbg-mollipo | gen | rmse | 1 | 0.7046 +/- 0.0000 | 0.7379 +/- 0.0000 |
| ogbg-mollipo | gin | rmse | 1 | 0.6854 +/- 0.0000 | 0.7390 +/- 0.0000 |
| ogbg-mollipo | gine | rmse | 1 | 0.6615 +/- 0.0000 | 0.7341 +/- 0.0000 |
| ogbg-mollipo | graphconv | rmse | 1 | 0.7178 +/- 0.0000 | 0.7297 +/- 0.0000 |
| ogbg-mollipo | graphsage | rmse | 1 | 0.7239 +/- 0.0000 | 0.7783 +/- 0.0000 |
| ogbg-mollipo | mf | rmse | 1 | 0.7129 +/- 0.0000 | 0.7405 +/- 0.0000 |
| ogbg-mollipo | pna | rmse | 1 | 0.7179 +/- 0.0000 | 0.7749 +/- 0.0000 |
| ogbg-mollipo | resgated | rmse | 1 | 0.6721 +/- 0.0000 | 0.7270 +/- 0.0000 |
| ogbg-mollipo | sgc | rmse | 1 | 0.7505 +/- 0.0000 | 0.8176 +/- 0.0000 |
| ogbg-mollipo | tag | rmse | 1 | 0.6692 +/- 0.0000 | 0.7227 +/- 0.0000 |
| ogbg-mollipo | transformer | rmse | 1 | 0.6810 +/- 0.0000 | 0.7346 +/- 0.0000 |
| ogbg-molsider | appnp | rocauc | 1 | 0.5886 +/- 0.0000 | 0.6004 +/- 0.0000 |
| ogbg-molsider | arma | rocauc | 1 | 0.6273 +/- 0.0000 | 0.6159 +/- 0.0000 |
| ogbg-molsider | cheb | rocauc | 1 | 0.6237 +/- 0.0000 | 0.6033 +/- 0.0000 |
| ogbg-molsider | film | rocauc | 1 | 0.6024 +/- 0.0000 | 0.5898 +/- 0.0000 |
| ogbg-molsider | gatv2 | rocauc | 1 | 0.6071 +/- 0.0000 | 0.6013 +/- 0.0000 |
| ogbg-molsider | gcn | rocauc | 1 | 0.6293 +/- 0.0000 | 0.6086 +/- 0.0000 |
| ogbg-molsider | gen | rocauc | 1 | 0.6519 +/- 0.0000 | 0.5854 +/- 0.0000 |
| ogbg-molsider | gin | rocauc | 1 | 0.6225 +/- 0.0000 | 0.5748 +/- 0.0000 |
| ogbg-molsider | gine | rocauc | 1 | 0.6327 +/- 0.0000 | 0.5495 +/- 0.0000 |
| ogbg-molsider | graphconv | rocauc | 1 | 0.5921 +/- 0.0000 | 0.6151 +/- 0.0000 |
| ogbg-molsider | graphsage | rocauc | 1 | 0.6217 +/- 0.0000 | 0.5807 +/- 0.0000 |
| ogbg-molsider | mf | rocauc | 1 | 0.6202 +/- 0.0000 | 0.5861 +/- 0.0000 |
| ogbg-molsider | pna | rocauc | 1 | 0.6219 +/- 0.0000 | 0.5965 +/- 0.0000 |
| ogbg-molsider | resgated | rocauc | 1 | 0.6209 +/- 0.0000 | 0.5910 +/- 0.0000 |
| ogbg-molsider | sgc | rocauc | 1 | 0.6174 +/- 0.0000 | 0.6043 +/- 0.0000 |
| ogbg-molsider | tag | rocauc | 1 | 0.6439 +/- 0.0000 | 0.6143 +/- 0.0000 |
| ogbg-molsider | transformer | rocauc | 1 | 0.6160 +/- 0.0000 | 0.5980 +/- 0.0000 |
| ogbg-moltox21 | appnp | rocauc | 1 | 0.7255 +/- 0.0000 | 0.7158 +/- 0.0000 |
| ogbg-moltox21 | arma | rocauc | 1 | 0.7799 +/- 0.0000 | 0.7223 +/- 0.0000 |
| ogbg-moltox21 | cheb | rocauc | 1 | 0.7834 +/- 0.0000 | 0.7301 +/- 0.0000 |
| ogbg-moltox21 | film | rocauc | 1 | 0.7702 +/- 0.0000 | 0.7160 +/- 0.0000 |
| ogbg-moltox21 | gatv2 | rocauc | 1 | 0.7627 +/- 0.0000 | 0.7160 +/- 0.0000 |
| ogbg-moltox21 | gcn | rocauc | 1 | 0.7580 +/- 0.0000 | 0.7171 +/- 0.0000 |
| ogbg-moltox21 | gen | rocauc | 1 | 0.7835 +/- 0.0000 | 0.7444 +/- 0.0000 |
| ogbg-moltox21 | gin | rocauc | 1 | 0.7690 +/- 0.0000 | 0.7242 +/- 0.0000 |
| ogbg-moltox21 | gine | rocauc | 1 | 0.7744 +/- 0.0000 | 0.7328 +/- 0.0000 |
| ogbg-moltox21 | graphconv | rocauc | 1 | 0.7831 +/- 0.0000 | 0.7147 +/- 0.0000 |
| ogbg-moltox21 | graphsage | rocauc | 1 | 0.7709 +/- 0.0000 | 0.7196 +/- 0.0000 |
| ogbg-moltox21 | mf | rocauc | 1 | 0.7773 +/- 0.0000 | 0.7281 +/- 0.0000 |
| ogbg-moltox21 | pna | rocauc | 1 | 0.7660 +/- 0.0000 | 0.6946 +/- 0.0000 |
| ogbg-moltox21 | resgated | rocauc | 1 | 0.7950 +/- 0.0000 | 0.7275 +/- 0.0000 |
| ogbg-moltox21 | sgc | rocauc | 1 | 0.7611 +/- 0.0000 | 0.7240 +/- 0.0000 |
| ogbg-moltox21 | tag | rocauc | 1 | 0.7866 +/- 0.0000 | 0.7416 +/- 0.0000 |
| ogbg-moltox21 | transformer | rocauc | 1 | 0.7656 +/- 0.0000 | 0.7309 +/- 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-molclintox | appnp | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9029 (0.0513) | 0.8898 (-0.0286) |  |
| ogbg-molclintox | arma | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9135 (-0.0328) | 0.8863 (0.0185) |  |
| ogbg-molclintox | cheb | fixed-rrog-T1-ns3 | rocauc | 1 | 0.8816 (-0.0112) | 0.8982 (-0.0170) |  |
| ogbg-molclintox | film | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9454 (0.0406) | 0.8430 (0.0699) |  |
| ogbg-molclintox | gatv2 | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9351 (-0.0164) | 0.8328 (-0.0164) |  |
| ogbg-molclintox | gcn | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9097 (-0.0221) | 0.8792 (-0.0140) |  |
| ogbg-molclintox | gen | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9399 (-0.0421) | 0.8194 (0.0066) |  |
| ogbg-molclintox | gin | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9164 (-0.0383) | 0.8788 (0.0202) |  |
| ogbg-molclintox | gine | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9225 (-0.0127) | 0.8840 (-0.0030) |  |
| ogbg-molclintox | graphconv | fixed-rrog-T1-ns3 | rocauc | 1 | 0.8494 (-0.0424) | 0.8186 (-0.0316) |  |
| ogbg-molclintox | graphsage | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9579 (0.0436) | 0.8664 (-0.0217) |  |
| ogbg-molclintox | mf | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9147 (-0.0104) | 0.8047 (-0.0323) |  |
| ogbg-molclintox | pna | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9064 (-0.0222) | 0.8735 (0.0132) |  |
| ogbg-molclintox | resgated | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9055 (-0.0188) | 0.8979 (-0.0205) |  |
| ogbg-molclintox | sgc | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9220 (0.0025) | 0.9054 (0.0068) |  |
| ogbg-molclintox | tag | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9183 (-0.0054) | 0.8433 (0.0435) |  |
| ogbg-molclintox | transformer | fixed-rrog-T1-ns3 | rocauc | 1 | 0.9322 (0.0051) | 0.8522 (-0.0242) |  |
| ogbg-molesol | appnp | fixed-rrog-T1-ns3 | rmse | 1 | 1.4196 (0.1887) | 1.4929 (0.0284) |  |
| ogbg-molesol | arma | fixed-rrog-T1-ns3 | rmse | 1 | 1.0034 (0.0160) | 1.1272 (-0.0606) |  |
| ogbg-molesol | cheb | fixed-rrog-T1-ns3 | rmse | 1 | 0.9199 (0.0451) | 0.8841 (-0.0118) |  |
| ogbg-molesol | film | fixed-rrog-T1-ns3 | rmse | 1 | 1.0196 (0.0521) | 1.0849 (0.2047) |  |
| ogbg-molesol | gatv2 | fixed-rrog-T1-ns3 | rmse | 1 | 1.0018 (0.0350) | 0.9780 (0.0098) |  |
| ogbg-molesol | gcn | fixed-rrog-T1-ns3 | rmse | 1 | 0.9591 (0.0818) | 0.9305 (0.1856) |  |
| ogbg-molesol | gen | fixed-rrog-T1-ns3 | rmse | 1 | 1.0027 (0.0062) | 0.9206 (-0.0444) |  |
| ogbg-molesol | gin | fixed-rrog-T1-ns3 | rmse | 1 | 0.9647 (0.0540) | 1.0798 (-0.0899) |  |
| ogbg-molesol | gine | fixed-rrog-T1-ns3 | rmse | 1 | 1.0581 (-0.0295) | 1.0951 (-0.0144) |  |
| ogbg-molesol | graphconv | fixed-rrog-T1-ns3 | rmse | 1 | 1.0048 (-0.0307) | 0.9968 (-0.0236) |  |
| ogbg-molesol | graphsage | fixed-rrog-T1-ns3 | rmse | 1 | 0.9934 (-0.0254) | 1.0794 (-0.0757) |  |
| ogbg-molesol | mf | fixed-rrog-T1-ns3 | rmse | 1 | 1.0553 (0.0942) | 1.0368 (0.0271) |  |
| ogbg-molesol | pna | fixed-rrog-T1-ns3 | rmse | 1 | 0.9841 (-0.0725) | 0.9092 (0.0060) |  |
| ogbg-molesol | resgated | fixed-rrog-T1-ns3 | rmse | 1 | 0.9873 (-0.0382) | 0.8825 (0.0083) |  |
| ogbg-molesol | sgc | fixed-rrog-T1-ns3 | rmse | 1 | 1.0129 (0.0488) | 0.9373 (0.0407) |  |
| ogbg-molesol | tag | fixed-rrog-T1-ns3 | rmse | 1 | 0.9036 (0.0288) | 0.9462 (0.0215) |  |
| ogbg-molesol | transformer | fixed-rrog-T1-ns3 | rmse | 1 | 0.9841 (-0.0443) | 1.0004 (-0.0512) |  |
| ogbg-molfreesolv | appnp | fixed-rrog-T1-ns3 | rmse | 1 | 5.5593 (0.4869) | 3.6549 (0.9928) |  |
| ogbg-molfreesolv | arma | fixed-rrog-T1-ns3 | rmse | 1 | 5.0683 (-0.8021) | 3.6823 (-0.7053) |  |
| ogbg-molfreesolv | cheb | fixed-rrog-T1-ns3 | rmse | 1 | 3.0142 (-0.0662) | 2.2399 (0.0032) |  |
| ogbg-molfreesolv | film | fixed-rrog-T1-ns3 | rmse | 1 | 3.2952 (-0.1406) | 3.3042 (-0.3460) |  |
| ogbg-molfreesolv | gatv2 | fixed-rrog-T1-ns3 | rmse | 1 | 3.9984 (0.2103) | 2.5966 (0.1403) |  |
| ogbg-molfreesolv | gcn | fixed-rrog-T1-ns3 | rmse | 1 | 3.5888 (0.1285) | 2.4444 (0.0407) |  |
| ogbg-molfreesolv | gen | fixed-rrog-T1-ns3 | rmse | 1 | 4.3009 (-0.3011) | 2.9063 (-0.3476) |  |
| ogbg-molfreesolv | gin | fixed-rrog-T1-ns3 | rmse | 1 | 3.9743 (0.0447) | 3.4292 (0.0607) |  |
| ogbg-molfreesolv | gine | fixed-rrog-T1-ns3 | rmse | 1 | 4.4468 (-1.1508) | 3.7405 (-0.5963) |  |
| ogbg-molfreesolv | graphconv | fixed-rrog-T1-ns3 | rmse | 1 | 2.9106 (-0.3792) | 3.1429 (-0.3476) |  |
| ogbg-molfreesolv | graphsage | fixed-rrog-T1-ns3 | rmse | 1 | 3.7380 (-0.2358) | 2.1931 (0.1046) |  |
| ogbg-molfreesolv | mf | fixed-rrog-T1-ns3 | rmse | 1 | 2.5060 (0.2313) | 3.1892 (-0.3007) |  |
| ogbg-molfreesolv | pna | fixed-rrog-T1-ns3 | rmse | 1 | 3.3334 (-0.9708) | 2.4279 (-0.1669) |  |
| ogbg-molfreesolv | resgated | fixed-rrog-T1-ns3 | rmse | 1 | 3.0920 (-0.6148) | 2.0244 (-0.0203) |  |
| ogbg-molfreesolv | sgc | fixed-rrog-T1-ns3 | rmse | 1 | 3.9261 (-0.0114) | 2.4887 (-0.0741) |  |
| ogbg-molfreesolv | tag | fixed-rrog-T1-ns3 | rmse | 1 | 2.7359 (-0.0486) | 2.0588 (0.3237) |  |
| ogbg-molfreesolv | transformer | fixed-rrog-T1-ns3 | rmse | 1 | 4.4180 (-0.3237) | 2.4325 (-0.1120) |  |
| ogbg-molhiv | appnp | fixed-rrog-T1-ns3 | rocauc | 2 | 0.7543 (0.0238) | 0.7338 (0.0316) |  |
| ogbg-molhiv | appnp | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7203 (-0.0471) | 0.6825 (-0.0175) |  |
| ogbg-molhiv | arma | fixed-rrog-T1-ns3 | rocauc | 2 | 0.7764 (-0.0055) | 0.6948 (-0.0299) |  |
| ogbg-molhiv | arma | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7926 (0.0054) | 0.7318 (0.0021) |  |
| ogbg-molhiv | cheb | fixed-rrog-T1-ns3 | rocauc | 2 | 0.7801 (0.0097) | 0.7364 (0.0078) |  |
| ogbg-molhiv | cheb | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7735 (-0.0096) | 0.7426 (0.0144) |  |
| ogbg-molhiv | film | fixed-rrog-T1-ns3 | rocauc | 2 | 0.8009 (0.0356) | 0.7471 (-0.0089) |  |
| ogbg-molhiv | film | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7633 (-0.0288) | 0.7728 (-0.0114) |  |
| ogbg-molhiv | gatv2 | fixed-rrog-T1-ns3 | rocauc | 2 | 0.7721 (-0.0074) | 0.7281 (-0.0020) |  |
| 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 | 2 | 0.7873 (0.0121) | 0.7333 (0.0077) |  |
| ogbg-molhiv | gcn | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7455 (-0.0300) | 0.7483 (0.0285) |  |
| ogbg-molhiv | gen | fixed-rrog-T1-ns3 | rocauc | 2 | 0.7658 (-0.0001) | 0.7446 (0.0071) |  |
| 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 | 2 | 0.7805 (-0.0223) | 0.7496 (-0.0206) |  |
| 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 | 2 | 0.7533 (-0.0254) | 0.7523 (0.0130) |  |
| ogbg-molhiv | gine | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7575 (-0.0368) | 0.7401 (-0.0044) |  |
| ogbg-molhiv | graphconv | fixed-rrog-T1-ns3 | rocauc | 2 | 0.7801 (-0.0008) | 0.7295 (-0.0035) |  |
| ogbg-molhiv | graphconv | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7713 (0.0006) | 0.6979 (-0.0129) |  |
| ogbg-molhiv | graphsage | fixed-rrog-T1-ns3 | rocauc | 2 | 0.7891 (-0.0024) | 0.7362 (-0.0091) |  |
| ogbg-molhiv | graphsage | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7587 (-0.0382) | 0.7641 (0.0016) |  |
| ogbg-molhiv | mf | fixed-rrog-T1-ns3 | rocauc | 2 | 0.7858 (0.0149) | 0.7134 (-0.0044) |  |
| ogbg-molhiv | mf | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7931 (0.0085) | 0.7217 (0.0143) |  |
| ogbg-molhiv | pna | fixed-rrog-T1-ns3 | rocauc | 2 | 0.8303 (0.0422) | 0.7563 (-0.0004) |  |
| ogbg-molhiv | pna | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7890 (0.0111) | 0.7630 (-0.0018) |  |
| ogbg-molhiv | resgated | fixed-rrog-T1-ns3 | rocauc | 2 | 0.8037 (0.0035) | 0.7404 (0.0203) |  |
| ogbg-molhiv | resgated | fixed-rrog-T3-ns3 | rocauc | 1 | 0.8174 (0.0030) | 0.7055 (-0.0187) |  |
| ogbg-molhiv | sgc | fixed-rrog-T1-ns3 | rocauc | 2 | 0.7632 (0.0046) | 0.6944 (-0.0116) |  |
| ogbg-molhiv | sgc | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7482 (0.0003) | 0.7177 (0.0158) |  |
| ogbg-molhiv | tag | fixed-rrog-T1-ns3 | rocauc | 2 | 0.7565 (0.0131) | 0.7235 (-0.0136) |  |
| ogbg-molhiv | tag | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7804 (0.0276) | 0.7352 (0.0096) |  |
| ogbg-molhiv | transformer | fixed-rrog-T1-ns3 | rocauc | 2 | 0.7745 (0.0052) | 0.7573 (-0.0143) |  |
| ogbg-molhiv | transformer | fixed-rrog-T3-ns3 | rocauc | 1 | 0.8088 (0.0471) | 0.7413 (-0.0134) |  |
| ogbg-mollipo | appnp | fixed-rrog-T1-ns3 | rmse | 1 | 0.8393 (0.0622) | 0.9174 (-0.0104) |  |
| ogbg-mollipo | arma | fixed-rrog-T1-ns3 | rmse | 1 | 0.7173 (0.0152) | 0.7548 (-0.0253) |  |
| ogbg-mollipo | cheb | fixed-rrog-T1-ns3 | rmse | 1 | 0.6990 (0.0198) | 0.7132 (0.0048) |  |
| ogbg-mollipo | film | fixed-rrog-T1-ns3 | rmse | 1 | 0.8122 (-0.0502) | 0.7353 (0.0018) |  |
| ogbg-mollipo | gatv2 | fixed-rrog-T1-ns3 | rmse | 1 | 0.7080 (-0.0215) | 0.7334 (-0.0026) |  |
| ogbg-mollipo | gcn | fixed-rrog-T1-ns3 | rmse | 1 | 0.7730 (-0.0351) | 0.7759 (0.0069) |  |
| ogbg-mollipo | gen | fixed-rrog-T1-ns3 | rmse | 1 | 0.6594 (0.0452) | 0.7456 (-0.0077) |  |
| ogbg-mollipo | gin | fixed-rrog-T1-ns3 | rmse | 1 | 0.6749 (0.0105) | 0.7073 (0.0317) |  |
| ogbg-mollipo | gine | fixed-rrog-T1-ns3 | rmse | 1 | 0.7168 (-0.0553) | 0.7316 (0.0025) |  |
| ogbg-mollipo | graphconv | fixed-rrog-T1-ns3 | rmse | 1 | 0.7372 (-0.0195) | 0.7396 (-0.0099) |  |
| ogbg-mollipo | graphsage | fixed-rrog-T1-ns3 | rmse | 1 | 0.7184 (0.0055) | 0.7720 (0.0063) |  |
| ogbg-mollipo | mf | fixed-rrog-T1-ns3 | rmse | 1 | 0.7050 (0.0080) | 0.7101 (0.0304) |  |
| ogbg-mollipo | pna | fixed-rrog-T1-ns3 | rmse | 1 | 0.7466 (-0.0287) | 0.7908 (-0.0159) |  |
| ogbg-mollipo | resgated | fixed-rrog-T1-ns3 | rmse | 1 | 0.6766 (-0.0046) | 0.7144 (0.0126) |  |
| ogbg-mollipo | sgc | fixed-rrog-T1-ns3 | rmse | 1 | 0.7537 (-0.0032) | 0.7490 (0.0685) |  |
| ogbg-mollipo | tag | fixed-rrog-T1-ns3 | rmse | 1 | 0.6743 (-0.0052) | 0.7201 (0.0026) |  |
| ogbg-mollipo | transformer | fixed-rrog-T1-ns3 | rmse | 1 | 0.6688 (0.0121) | 0.7396 (-0.0050) |  |
| ogbg-molsider | appnp | fixed-rrog-T1-ns3 | rocauc | 1 | 0.5938 (0.0051) | 0.5905 (-0.0099) |  |
| ogbg-molsider | arma | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6344 (0.0071) | 0.6141 (-0.0018) |  |
| ogbg-molsider | cheb | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6263 (0.0026) | 0.6096 (0.0062) |  |
| ogbg-molsider | film | fixed-rrog-T1-ns3 | rocauc | 1 | 0.5862 (-0.0162) | 0.5974 (0.0076) |  |
| ogbg-molsider | gatv2 | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6462 (0.0391) | 0.6000 (-0.0013) |  |
| ogbg-molsider | gcn | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6256 (-0.0037) | 0.6117 (0.0031) |  |
| ogbg-molsider | gen | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6345 (-0.0175) | 0.6053 (0.0199) |  |
| ogbg-molsider | gin | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6046 (-0.0179) | 0.6022 (0.0274) |  |
| ogbg-molsider | gine | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6151 (-0.0176) | 0.6150 (0.0655) |  |
| ogbg-molsider | graphconv | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6010 (0.0089) | 0.5963 (-0.0188) |  |
| ogbg-molsider | graphsage | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6232 (0.0015) | 0.5861 (0.0053) |  |
| ogbg-molsider | mf | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6190 (-0.0012) | 0.5983 (0.0122) |  |
| ogbg-molsider | pna | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6058 (-0.0161) | 0.5721 (-0.0243) |  |
| ogbg-molsider | resgated | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6205 (-0.0005) | 0.5960 (0.0050) |  |
| ogbg-molsider | sgc | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6151 (-0.0022) | 0.6417 (0.0375) |  |
| ogbg-molsider | tag | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6410 (-0.0028) | 0.6102 (-0.0041) |  |
| ogbg-molsider | transformer | fixed-rrog-T1-ns3 | rocauc | 1 | 0.6315 (0.0156) | 0.6190 (0.0210) |  |
| ogbg-moltox21 | appnp | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7280 (0.0025) | 0.7154 (-0.0005) |  |
| ogbg-moltox21 | arma | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7771 (-0.0028) | 0.7209 (-0.0014) |  |
| ogbg-moltox21 | cheb | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7710 (-0.0125) | 0.7286 (-0.0015) |  |
| ogbg-moltox21 | film | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7727 (0.0025) | 0.7369 (0.0209) |  |
| ogbg-moltox21 | gatv2 | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7762 (0.0135) | 0.7303 (0.0143) |  |
| ogbg-moltox21 | gcn | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7588 (0.0007) | 0.7230 (0.0059) |  |
| ogbg-moltox21 | gen | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7757 (-0.0077) | 0.7312 (-0.0132) |  |
| ogbg-moltox21 | gin | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7718 (0.0028) | 0.7237 (-0.0005) |  |
| ogbg-moltox21 | gine | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7622 (-0.0122) | 0.7193 (-0.0135) |  |
| ogbg-moltox21 | graphconv | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7820 (-0.0011) | 0.7313 (0.0166) |  |
| ogbg-moltox21 | graphsage | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7697 (-0.0012) | 0.7205 (0.0009) |  |
| ogbg-moltox21 | mf | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7695 (-0.0078) | 0.7279 (-0.0002) |  |
| ogbg-moltox21 | pna | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7745 (0.0085) | 0.7349 (0.0403) |  |
| ogbg-moltox21 | resgated | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7887 (-0.0064) | 0.7380 (0.0104) |  |
| ogbg-moltox21 | sgc | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7506 (-0.0105) | 0.7355 (0.0115) |  |
| ogbg-moltox21 | tag | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7839 (-0.0027) | 0.7342 (-0.0074) |  |
| ogbg-moltox21 | transformer | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7761 (0.0105) | 0.7292 (-0.0018) |  |