path: root/logs/ogbg-molhiv_T1_ns3_s2.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 2 --device cuda:0
ep10 val_rocauc=0.77910 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.68080 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.77909 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.71704 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.80998 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.77192 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.76713 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.79266 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.78636 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.78319 halt=0.00 train_steps=1.00
[ogbg-molhiv_gin_classic_T0_ns1_h128_e100_s2] best_ep=50 val={'rocauc': 0.8099769743288261} test={'rocauc': 0.7394638753162479} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gin_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.69602 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.69894 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.70698 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.75186 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.72072 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.74483 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.72026 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.70869 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.71792 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.71924 halt=0.00 train_steps=3.00
[ogbg-molhiv_gin_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=40 val={'rocauc': 0.7518616500097983} test={'rocauc': 0.7650823693002955} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gin_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.66907 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.61855 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.71729 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.72027 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.77864 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.76000 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.77539 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.77798 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.77431 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.77560 halt=0.00 train_steps=1.00
[ogbg-molhiv_gine_classic_T0_ns1_h128_e100_s2] best_ep=50 val={'rocauc': 0.7786351165980796} test={'rocauc': 0.7729069700071457} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gine_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.64088 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.68459 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.74306 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.74743 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.77208 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.73219 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.75738 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.78727 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.77279 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.77796 halt=0.00 train_steps=3.00
[ogbg-molhiv_gine_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=80 val={'rocauc': 0.7872697432882618} test={'rocauc': 0.7010158558488964} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gine_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.70336 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.75167 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.77492 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.73994 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.74640 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.75726 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.74487 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.75292 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.74965 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.74658 halt=0.00 train_steps=1.00
[ogbg-molhiv_gcn_classic_T0_ns1_h128_e100_s2] best_ep=30 val={'rocauc': 0.7749179404271997} test={'rocauc': 0.7569246219509841} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gcn_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.70962 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.75463 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.77414 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.76642 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.75963 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.76942 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.74167 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.72666 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.72509 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.71922 halt=0.00 train_steps=3.00
[ogbg-molhiv_gcn_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=30 val={'rocauc': 0.7741386806780326} test={'rocauc': 0.7494157863226405} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gcn_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.72128 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.72150 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.77123 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.77651 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.74654 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.75628 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.75618 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.74948 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.75841 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.76074 halt=0.00 train_steps=1.00
[ogbg-molhiv_graphsage_classic_T0_ns1_h128_e100_s2] best_ep=40 val={'rocauc': 0.7765070791691162} test={'rocauc': 0.7610942660151799} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_graphsage_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.66498 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.69523 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.67164 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.73673 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.76156 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.75668 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.77984 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.77012 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.75963 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.76295 halt=0.00 train_steps=3.00
[ogbg-molhiv_graphsage_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=70 val={'rocauc': 0.7798445767195766} test={'rocauc': 0.7146430019892235} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_graphsage_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.74744 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.79311 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.77594 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.79187 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.79288 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.76908 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.77367 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.76684 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.76183 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.76329 halt=0.00 train_steps=1.00
[ogbg-molhiv_gatv2_classic_T0_ns1_h128_e100_s2] best_ep=20 val={'rocauc': 0.793114956888105} test={'rocauc': 0.7273817570829874} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gatv2_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.73573 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.68603 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.73567 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.75925 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.77616 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.73973 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.74499 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.73607 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.71758 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.72349 halt=0.00 train_steps=3.00
[ogbg-molhiv_gatv2_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=50 val={'rocauc': 0.7761641436409955} test={'rocauc': 0.724479035902586} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gatv2_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.63604 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.73148 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.70977 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.73509 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.70662 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.72783 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.73062 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.72194 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.72680 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.72343 halt=0.00 train_steps=1.00
[ogbg-molhiv_graphconv_classic_T0_ns1_h128_e100_s2] best_ep=40 val={'rocauc': 0.7350884283754655} test={'rocauc': 0.7330423530775024} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_graphconv_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.58868 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.69137 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.75022 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.75807 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.76651 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.74705 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.74788 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.75848 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.75069 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.74481 halt=0.00 train_steps=3.00
[ogbg-molhiv_graphconv_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=50 val={'rocauc': 0.7665068342151675} test={'rocauc': 0.7325112497344484} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_graphconv_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.69418 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.75507 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.76184 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.71591 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.72909 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.70901 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.71042 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.68719 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.67989 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.68265 halt=0.00 train_steps=1.00
[ogbg-molhiv_transformer_classic_T0_ns1_h128_e100_s2] best_ep=30 val={'rocauc': 0.7618435234175974} test={'rocauc': 0.7711736418239055} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_transformer_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.68567 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.72300 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.74784 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.80434 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.78556 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.78730 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.79940 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.79575 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.78924 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.79357 halt=0.00 train_steps=3.00
[ogbg-molhiv_transformer_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=40 val={'rocauc': 0.8043399715853421} test={'rocauc': 0.7765908959230575} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_transformer_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --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=0.74594 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=0.79111 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=0.75091 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=0.76502 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=0.80199 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=0.76990 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=0.80667 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=0.80482 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=0.79585 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=0.79374 halt=0.00 train_steps=1.00
[ogbg-molhiv_pna_classic_T0_ns1_h128_e100_s2] best_ep=70 val={'rocauc': 0.8066731579463061} test={'rocauc': 0.7427663724676027} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_pna_classic_T0_ns1_h128_e100_s2.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 2 --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=0.71548 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=0.76199 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=0.68047 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=0.73278 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=0.71305 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=0.69991 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=0.76066 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=0.78164 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=0.77666 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=0.77992 halt=0.00 train_steps=3.00
[ogbg-molhiv_pna_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=80 val={'rocauc': 0.7816358024691358} test={'rocauc': 0.7382085401417564} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_pna_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.71900 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.71850 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.73399 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.74417 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.75591 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.73789 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.71291 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.72031 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.72306 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.72002 halt=0.00 train_steps=1.00
[ogbg-molhiv_gen_classic_T0_ns1_h128_e100_s2] best_ep=50 val={'rocauc': 0.7559125759357241} test={'rocauc': 0.7565596091079395} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gen_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.71439 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.73103 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.74792 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.76761 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.69540 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.73725 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.69090 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.69355 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.68226 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.68966 halt=0.00 train_steps=3.00
[ogbg-molhiv_gen_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=40 val={'rocauc': 0.7676060650597687} test={'rocauc': 0.7570231174800596} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_gen_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.77283 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.81397 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.79383 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.77754 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.82146 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.81612 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.77203 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.76887 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.76402 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.76533 halt=0.00 train_steps=1.00
[ogbg-molhiv_film_classic_T0_ns1_h128_e100_s2] best_ep=50 val={'rocauc': 0.8214622525965118} test={'rocauc': 0.7396087216825356} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_film_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.67108 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.78932 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.78154 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.79131 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.81350 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.81917 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.78007 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.77893 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.75079 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.75276 halt=0.00 train_steps=3.00
[ogbg-molhiv_film_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=60 val={'rocauc': 0.8191688712522045} test={'rocauc': 0.7626895073292261} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_film_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.78854 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.74972 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.73903 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.77422 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.77706 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.72024 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.74393 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.75405 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.74059 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.74289 halt=0.00 train_steps=1.00
[ogbg-molhiv_resgated_classic_T0_ns1_h128_e100_s2] best_ep=10 val={'rocauc': 0.7885404418969234} test={'rocauc': 0.7547480638869041} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_resgated_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.69411 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.76065 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.77693 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.79870 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.78910 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.75895 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.78474 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.77994 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.78285 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.77767 halt=0.00 train_steps=3.00
[ogbg-molhiv_resgated_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=40 val={'rocauc': 0.7987029688418578} test={'rocauc': 0.7339867513856969} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_resgated_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.61027 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.71861 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.75958 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.74046 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.69530 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.70296 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.71476 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.72258 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.71211 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.71320 halt=0.00 train_steps=1.00
[ogbg-molhiv_tag_classic_T0_ns1_h128_e100_s2] best_ep=30 val={'rocauc': 0.7595807613168722} test={'rocauc': 0.7552386102473976} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_tag_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.62604 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.67819 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.68679 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.72056 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.74401 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.70643 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.75311 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.72758 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.72515 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.72985 halt=0.00 train_steps=3.00
[ogbg-molhiv_tag_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=70 val={'rocauc': 0.753107853223594} test={'rocauc': 0.7545375538345662} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_tag_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.69093 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.75296 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.76698 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.79015 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.78157 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.78165 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.78587 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.79278 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.78484 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.78554 halt=0.00 train_steps=1.00
[ogbg-molhiv_sgc_classic_T0_ns1_h128_e100_s2] best_ep=80 val={'rocauc': 0.7927750832843425} test={'rocauc': 0.6994457212383398} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_sgc_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.70901 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.76657 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.74446 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.72625 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.73923 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.70795 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.73050 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.73530 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.73443 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.73660 halt=0.00 train_steps=3.00
[ogbg-molhiv_sgc_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=20 val={'rocauc': 0.7665741965510485} test={'rocauc': 0.7427122964908555} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_sgc_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.70804 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.76515 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.77213 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.78377 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.78207 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.73918 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.77829 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.79878 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.78798 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.78464 halt=0.00 train_steps=1.00
[ogbg-molhiv_cheb_classic_T0_ns1_h128_e100_s2] best_ep=80 val={'rocauc': 0.7987825788751715} test={'rocauc': 0.7219181521466231} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_cheb_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.67440 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.75268 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.79662 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.77504 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.71671 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.80921 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.78234 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.77931 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.75698 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.75325 halt=0.00 train_steps=3.00
[ogbg-molhiv_cheb_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=60 val={'rocauc': 0.8092084313149128} test={'rocauc': 0.7313505475192645} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_cheb_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.67692 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.77171 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.76832 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.77600 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.73930 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.75954 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.73086 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.74455 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.74178 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.74695 halt=0.00 train_steps=1.00
[ogbg-molhiv_arma_classic_T0_ns1_h128_e100_s2] best_ep=40 val={'rocauc': 0.7759957378012934} test={'rocauc': 0.7694818362656676} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_arma_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.64424 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.76852 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.75258 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.79405 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.79238 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.77023 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.75347 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.74261 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.74637 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.74914 halt=0.00 train_steps=3.00
[ogbg-molhiv_arma_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=40 val={'rocauc': 0.7940457818930041} test={'rocauc': 0.7463856003399061} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_arma_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.75488 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.77128 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.74323 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.77356 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.74760 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.73409 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.73934 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.73559 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.73172 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.72801 halt=0.00 train_steps=1.00
[ogbg-molhiv_mf_classic_T0_ns1_h128_e100_s2] best_ep=40 val={'rocauc': 0.7735645698608662} test={'rocauc': 0.769927963073833} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_mf_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.74171 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.77634 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.74648 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.74111 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.76637 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.73727 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.74356 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.71162 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.70819 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.69720 halt=0.00 train_steps=3.00
[ogbg-molhiv_mf_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=20 val={'rocauc': 0.7763417352537723} test={'rocauc': 0.7111811738349525} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_mf_fixed-rrog_T1_ns3_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.71340 halt=0.00 train_steps=1.00
ep20 val_rocauc=0.72133 halt=0.00 train_steps=1.00
ep30 val_rocauc=0.68051 halt=0.00 train_steps=1.00
ep40 val_rocauc=0.64824 halt=0.00 train_steps=1.00
ep50 val_rocauc=0.64804 halt=0.00 train_steps=1.00
ep60 val_rocauc=0.63197 halt=0.00 train_steps=1.00
ep70 val_rocauc=0.61975 halt=0.00 train_steps=1.00
ep80 val_rocauc=0.63096 halt=0.00 train_steps=1.00
ep90 val_rocauc=0.63419 halt=0.00 train_steps=1.00
ep100 val_rocauc=0.62975 halt=0.00 train_steps=1.00
[ogbg-molhiv_appnp_classic_T0_ns1_h128_e100_s2] best_ep=20 val={'rocauc': 0.7213342641583382} test={'rocauc': 0.690191004075011} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_appnp_classic_T0_ns1_h128_e100_s2.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 2 --device cuda:0
ep10 val_rocauc=0.70306 halt=0.00 train_steps=3.00
ep20 val_rocauc=0.76196 halt=0.00 train_steps=3.00
ep30 val_rocauc=0.72487 halt=0.00 train_steps=3.00
ep40 val_rocauc=0.69525 halt=0.00 train_steps=3.00
ep50 val_rocauc=0.72798 halt=0.00 train_steps=3.00
ep60 val_rocauc=0.72291 halt=0.00 train_steps=3.00
ep70 val_rocauc=0.74016 halt=0.00 train_steps=3.00
ep80 val_rocauc=0.74633 halt=0.00 train_steps=3.00
ep90 val_rocauc=0.75092 halt=0.00 train_steps=3.00
ep100 val_rocauc=0.75032 halt=0.00 train_steps=3.00
[ogbg-molhiv_appnp_fixed-rrog_T1_ns3_h128_e100_s2] best_ep=20 val={'rocauc': 0.7619568146188516} test={'rocauc': 0.72329708955368} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molhiv_appnp_fixed-rrog_T1_ns3_h128_e100_s2.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 | 3 | 0.7274 +/- 0.0374 | 0.6982 +/- 0.0073 |
| ogbg-molhiv | arma | rocauc | 3 | 0.7799 +/- 0.0063 | 0.7396 +/- 0.0263 |
| ogbg-molhiv | cheb | rocauc | 3 | 0.7799 +/- 0.0207 | 0.7264 +/- 0.0039 |
| ogbg-molhiv | film | rocauc | 3 | 0.7840 +/- 0.0421 | 0.7505 +/- 0.0298 |
| ogbg-molhiv | gatv2 | rocauc | 3 | 0.7841 +/- 0.0088 | 0.7292 +/- 0.0262 |
| ogbg-molhiv | gcn | rocauc | 3 | 0.7751 +/- 0.0003 | 0.7360 +/- 0.0190 |
| ogbg-molhiv | gen | rocauc | 3 | 0.7626 +/- 0.0141 | 0.7438 +/- 0.0126 |
| ogbg-molhiv | gin | rocauc | 3 | 0.8052 +/- 0.0145 | 0.7600 +/- 0.0179 |
| ogbg-molhiv | gine | rocauc | 3 | 0.7787 +/- 0.0156 | 0.7505 +/- 0.0200 |
| ogbg-molhiv | graphconv | rocauc | 3 | 0.7656 +/- 0.0284 | 0.7330 +/- 0.0222 |
| ogbg-molhiv | graphsage | rocauc | 3 | 0.7865 +/- 0.0102 | 0.7506 +/- 0.0195 |
| ogbg-molhiv | mf | rocauc | 3 | 0.7718 +/- 0.0137 | 0.7352 +/- 0.0319 |
| ogbg-molhiv | pna | rocauc | 3 | 0.7943 +/- 0.0148 | 0.7520 +/- 0.0114 |
| ogbg-molhiv | resgated | rocauc | 3 | 0.7963 +/- 0.0157 | 0.7316 +/- 0.0205 |
| ogbg-molhiv | sgc | rocauc | 3 | 0.7699 +/- 0.0225 | 0.7038 +/- 0.0055 |
| ogbg-molhiv | tag | rocauc | 3 | 0.7488 +/- 0.0133 | 0.7432 +/- 0.0156 |
| ogbg-molhiv | transformer | rocauc | 3 | 0.7668 +/- 0.0086 | 0.7714 +/- 0.0168 |
| 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 | 3 | 0.7568 (0.0294) | 0.7303 (0.0321) |  |
| 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 | 3 | 0.7823 (0.0023) | 0.7120 (-0.0276) |  |
| 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 | 3 | 0.7898 (0.0099) | 0.7347 (0.0083) |  |
| 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 | 3 | 0.8070 (0.0230) | 0.7523 (0.0018) |  |
| 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 | 3 | 0.7734 (-0.0106) | 0.7269 (-0.0023) |  |
| 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 | 3 | 0.7829 (0.0078) | 0.7386 (0.0026) |  |
| 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 | 3 | 0.7664 (0.0038) | 0.7487 (0.0049) |  |
| 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 | 3 | 0.7710 (-0.0342) | 0.7548 (-0.0052) |  |
| 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 | 3 | 0.7646 (-0.0140) | 0.7352 (-0.0153) |  |
| 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 | 3 | 0.7755 (0.0099) | 0.7305 (-0.0025) |  |
| 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 | 3 | 0.7860 (-0.0005) | 0.7290 (-0.0216) |  |
| 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 | 3 | 0.7826 (0.0109) | 0.7127 (-0.0225) |  |
| 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 | 3 | 0.8141 (0.0198) | 0.7503 (-0.0018) |  |
| 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 | 3 | 0.8020 (0.0057) | 0.7383 (0.0066) |  |
| 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 | 3 | 0.7643 (-0.0056) | 0.7105 (0.0067) |  |
| 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 | 3 | 0.7554 (0.0066) | 0.7339 (-0.0093) |  |
| 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 | 3 | 0.7844 (0.0177) | 0.7637 (-0.0077) |  |
| 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) |  |