path: root/logs/ogbg-mollipo_0.log

[run] ogbg-mollipo view=gin compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view gin --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
Downloading http://snap.stanford.edu/ogb/data/graphproppred/csv_mol_download/lipophilicity.zip

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Processing...
Extracting /orion/u/oscarwan/rrog-gnn-runner/data/ogb/lipophilicity.zip
Loading necessary files...
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/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/ogb/graphproppred/dataset_pyg.py:158: UserWarning: The given NumPy array is not writable, and PyTorch does not support non-writable tensors. This means writing to this tensor will result in undefined behavior. You may want to copy the array to protect its data or make it writable before converting it to a tensor. This type of warning will be suppressed for the rest of this program. (Triggered internally at /pytorch/torch/csrc/utils/tensor_numpy.cpp:203.)
  g.y = torch.from_numpy(graph_label[i]).view(1,-1).to(torch.float32)
Done!
Saving...
ep10 val_rmse=1.44219 halt=0.00 train_steps=1.00
ep20 val_rmse=1.12619 halt=0.00 train_steps=1.00
ep30 val_rmse=0.83179 halt=0.00 train_steps=1.00
ep40 val_rmse=0.74595 halt=0.00 train_steps=1.00
ep50 val_rmse=0.80877 halt=0.00 train_steps=1.00
ep60 val_rmse=0.82527 halt=0.00 train_steps=1.00
ep70 val_rmse=0.68539 halt=0.00 train_steps=1.00
ep80 val_rmse=0.69580 halt=0.00 train_steps=1.00
ep90 val_rmse=0.69460 halt=0.00 train_steps=1.00
ep100 val_rmse=0.69261 halt=0.00 train_steps=1.00
[ogbg-mollipo_gin_classic_T0_ns1_h128_e100_s0] best_ep=70 val={'rmse': np.float32(0.68539107)} test={'rmse': np.float32(0.73898196)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_gin_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=gin compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view gin --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.96097 halt=0.00 train_steps=3.00
ep20 val_rmse=0.84203 halt=0.00 train_steps=3.00
ep30 val_rmse=0.76113 halt=0.00 train_steps=3.00
ep40 val_rmse=0.90551 halt=0.00 train_steps=3.00
ep50 val_rmse=0.74823 halt=0.00 train_steps=3.00
ep60 val_rmse=0.83854 halt=0.00 train_steps=3.00
ep70 val_rmse=0.71586 halt=0.00 train_steps=3.00
ep80 val_rmse=0.71676 halt=0.00 train_steps=3.00
ep90 val_rmse=0.68411 halt=0.00 train_steps=3.00
ep100 val_rmse=0.67485 halt=0.00 train_steps=3.00
[ogbg-mollipo_gin_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=100 val={'rmse': np.float32(0.67485154)} test={'rmse': np.float32(0.70725757)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_gin_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=gine compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view gine --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=1.22610 halt=0.00 train_steps=1.00
ep20 val_rmse=0.78705 halt=0.00 train_steps=1.00
ep30 val_rmse=1.00198 halt=0.00 train_steps=1.00
ep40 val_rmse=0.73826 halt=0.00 train_steps=1.00
ep50 val_rmse=0.71839 halt=0.00 train_steps=1.00
ep60 val_rmse=0.75031 halt=0.00 train_steps=1.00
ep70 val_rmse=0.69282 halt=0.00 train_steps=1.00
ep80 val_rmse=0.67751 halt=0.00 train_steps=1.00
ep90 val_rmse=0.66306 halt=0.00 train_steps=1.00
ep100 val_rmse=0.66147 halt=0.00 train_steps=1.00
[ogbg-mollipo_gine_classic_T0_ns1_h128_e100_s0] best_ep=100 val={'rmse': np.float32(0.6614736)} test={'rmse': np.float32(0.7341322)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_gine_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=gine compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view gine --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=1.12481 halt=0.00 train_steps=3.00
ep20 val_rmse=0.90842 halt=0.00 train_steps=3.00
ep30 val_rmse=0.89875 halt=0.00 train_steps=3.00
ep40 val_rmse=0.79273 halt=0.00 train_steps=3.00
ep50 val_rmse=0.75853 halt=0.00 train_steps=3.00
ep60 val_rmse=0.76110 halt=0.00 train_steps=3.00
ep70 val_rmse=0.74986 halt=0.00 train_steps=3.00
ep80 val_rmse=0.71676 halt=0.00 train_steps=3.00
ep90 val_rmse=0.72387 halt=0.00 train_steps=3.00
ep100 val_rmse=0.71945 halt=0.00 train_steps=3.00
[ogbg-mollipo_gine_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=80 val={'rmse': np.float32(0.71676475)} test={'rmse': np.float32(0.7315849)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_gine_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=gcn compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view gcn --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=1.00691 halt=0.00 train_steps=1.00
ep20 val_rmse=0.81827 halt=0.00 train_steps=1.00
ep30 val_rmse=1.14313 halt=0.00 train_steps=1.00
ep40 val_rmse=0.86043 halt=0.00 train_steps=1.00
ep50 val_rmse=0.79331 halt=0.00 train_steps=1.00
ep60 val_rmse=0.77473 halt=0.00 train_steps=1.00
ep70 val_rmse=0.74328 halt=0.00 train_steps=1.00
ep80 val_rmse=0.73790 halt=0.00 train_steps=1.00
ep90 val_rmse=0.74719 halt=0.00 train_steps=1.00
ep100 val_rmse=0.74553 halt=0.00 train_steps=1.00
[ogbg-mollipo_gcn_classic_T0_ns1_h128_e100_s0] best_ep=80 val={'rmse': np.float32(0.7378985)} test={'rmse': np.float32(0.7828146)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_gcn_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=gcn compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view gcn --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.90662 halt=0.00 train_steps=3.00
ep20 val_rmse=0.86193 halt=0.00 train_steps=3.00
ep30 val_rmse=0.85537 halt=0.00 train_steps=3.00
ep40 val_rmse=0.80778 halt=0.00 train_steps=3.00
ep50 val_rmse=0.79127 halt=0.00 train_steps=3.00
ep60 val_rmse=0.77302 halt=0.00 train_steps=3.00
ep70 val_rmse=0.78860 halt=0.00 train_steps=3.00
ep80 val_rmse=0.78109 halt=0.00 train_steps=3.00
ep90 val_rmse=0.77706 halt=0.00 train_steps=3.00
ep100 val_rmse=0.77598 halt=0.00 train_steps=3.00
[ogbg-mollipo_gcn_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=60 val={'rmse': np.float32(0.77302194)} test={'rmse': np.float32(0.7758825)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_gcn_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=graphsage compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view graphsage --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.81719 halt=0.00 train_steps=1.00
ep20 val_rmse=0.93272 halt=0.00 train_steps=1.00
ep30 val_rmse=0.73208 halt=0.00 train_steps=1.00
ep40 val_rmse=0.74760 halt=0.00 train_steps=1.00
ep50 val_rmse=0.75607 halt=0.00 train_steps=1.00
ep60 val_rmse=0.79079 halt=0.00 train_steps=1.00
ep70 val_rmse=0.72866 halt=0.00 train_steps=1.00
ep80 val_rmse=0.72390 halt=0.00 train_steps=1.00
ep90 val_rmse=0.73953 halt=0.00 train_steps=1.00
ep100 val_rmse=0.72610 halt=0.00 train_steps=1.00
[ogbg-mollipo_graphsage_classic_T0_ns1_h128_e100_s0] best_ep=80 val={'rmse': np.float32(0.7239026)} test={'rmse': np.float32(0.77830356)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_graphsage_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=graphsage compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view graphsage --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.98259 halt=0.00 train_steps=3.00
ep20 val_rmse=0.85573 halt=0.00 train_steps=3.00
ep30 val_rmse=0.75527 halt=0.00 train_steps=3.00
ep40 val_rmse=0.71839 halt=0.00 train_steps=3.00
ep50 val_rmse=0.81340 halt=0.00 train_steps=3.00
ep60 val_rmse=0.72794 halt=0.00 train_steps=3.00
ep70 val_rmse=0.74447 halt=0.00 train_steps=3.00
ep80 val_rmse=0.74239 halt=0.00 train_steps=3.00
ep90 val_rmse=0.75862 halt=0.00 train_steps=3.00
ep100 val_rmse=0.74740 halt=0.00 train_steps=3.00
[ogbg-mollipo_graphsage_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=40 val={'rmse': np.float32(0.7183915)} test={'rmse': np.float32(0.7720211)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_graphsage_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=gatv2 compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view gatv2 --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.82356 halt=0.00 train_steps=1.00
ep20 val_rmse=0.74744 halt=0.00 train_steps=1.00
ep30 val_rmse=0.81665 halt=0.00 train_steps=1.00
ep40 val_rmse=0.68648 halt=0.00 train_steps=1.00
ep50 val_rmse=0.68822 halt=0.00 train_steps=1.00
ep60 val_rmse=0.75184 halt=0.00 train_steps=1.00
ep70 val_rmse=0.69034 halt=0.00 train_steps=1.00
ep80 val_rmse=0.68654 halt=0.00 train_steps=1.00
ep90 val_rmse=0.69914 halt=0.00 train_steps=1.00
ep100 val_rmse=0.69418 halt=0.00 train_steps=1.00
[ogbg-mollipo_gatv2_classic_T0_ns1_h128_e100_s0] best_ep=40 val={'rmse': np.float32(0.6864759)} test={'rmse': np.float32(0.7307591)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_gatv2_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=gatv2 compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view gatv2 --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.93766 halt=0.00 train_steps=3.00
ep20 val_rmse=0.80926 halt=0.00 train_steps=3.00
ep30 val_rmse=0.78557 halt=0.00 train_steps=3.00
ep40 val_rmse=0.79170 halt=0.00 train_steps=3.00
ep50 val_rmse=0.73680 halt=0.00 train_steps=3.00
ep60 val_rmse=0.72259 halt=0.00 train_steps=3.00
ep70 val_rmse=0.72328 halt=0.00 train_steps=3.00
ep80 val_rmse=0.71219 halt=0.00 train_steps=3.00
ep90 val_rmse=0.70799 halt=0.00 train_steps=3.00
ep100 val_rmse=0.70977 halt=0.00 train_steps=3.00
[ogbg-mollipo_gatv2_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=90 val={'rmse': np.float32(0.7079874)} test={'rmse': np.float32(0.7334003)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_gatv2_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=graphconv compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view graphconv --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=1.09036 halt=0.00 train_steps=1.00
ep20 val_rmse=0.86879 halt=0.00 train_steps=1.00
ep30 val_rmse=0.76083 halt=0.00 train_steps=1.00
ep40 val_rmse=0.75326 halt=0.00 train_steps=1.00
ep50 val_rmse=0.76542 halt=0.00 train_steps=1.00
ep60 val_rmse=0.71961 halt=0.00 train_steps=1.00
ep70 val_rmse=0.75535 halt=0.00 train_steps=1.00
ep80 val_rmse=0.73062 halt=0.00 train_steps=1.00
ep90 val_rmse=0.72027 halt=0.00 train_steps=1.00
ep100 val_rmse=0.71776 halt=0.00 train_steps=1.00
[ogbg-mollipo_graphconv_classic_T0_ns1_h128_e100_s0] best_ep=100 val={'rmse': np.float32(0.71776384)} test={'rmse': np.float32(0.72967345)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_graphconv_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=graphconv compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view graphconv --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.88607 halt=0.00 train_steps=3.00
ep20 val_rmse=0.97478 halt=0.00 train_steps=3.00
ep30 val_rmse=0.85444 halt=0.00 train_steps=3.00
ep40 val_rmse=0.79351 halt=0.00 train_steps=3.00
ep50 val_rmse=0.77852 halt=0.00 train_steps=3.00
ep60 val_rmse=0.76438 halt=0.00 train_steps=3.00
ep70 val_rmse=0.77003 halt=0.00 train_steps=3.00
ep80 val_rmse=0.73724 halt=0.00 train_steps=3.00
ep90 val_rmse=0.75021 halt=0.00 train_steps=3.00
ep100 val_rmse=0.74325 halt=0.00 train_steps=3.00
[ogbg-mollipo_graphconv_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=80 val={'rmse': np.float32(0.7372442)} test={'rmse': np.float32(0.7395755)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_graphconv_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=transformer compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view transformer --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=1.21823 halt=0.00 train_steps=1.00
ep20 val_rmse=0.86985 halt=0.00 train_steps=1.00
ep30 val_rmse=0.76973 halt=0.00 train_steps=1.00
ep40 val_rmse=0.77144 halt=0.00 train_steps=1.00
ep50 val_rmse=0.68606 halt=0.00 train_steps=1.00
ep60 val_rmse=0.72351 halt=0.00 train_steps=1.00
ep70 val_rmse=0.72069 halt=0.00 train_steps=1.00
ep80 val_rmse=0.68095 halt=0.00 train_steps=1.00
ep90 val_rmse=0.68682 halt=0.00 train_steps=1.00
ep100 val_rmse=0.68128 halt=0.00 train_steps=1.00
[ogbg-mollipo_transformer_classic_T0_ns1_h128_e100_s0] best_ep=80 val={'rmse': np.float32(0.68095195)} test={'rmse': np.float32(0.7346181)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_transformer_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=transformer compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view transformer --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=1.16083 halt=0.00 train_steps=3.00
ep20 val_rmse=0.81056 halt=0.00 train_steps=3.00
ep30 val_rmse=0.74514 halt=0.00 train_steps=3.00
ep40 val_rmse=0.74416 halt=0.00 train_steps=3.00
ep50 val_rmse=0.70391 halt=0.00 train_steps=3.00
ep60 val_rmse=0.67918 halt=0.00 train_steps=3.00
ep70 val_rmse=0.68572 halt=0.00 train_steps=3.00
ep80 val_rmse=0.68195 halt=0.00 train_steps=3.00
ep90 val_rmse=0.66882 halt=0.00 train_steps=3.00
ep100 val_rmse=0.67099 halt=0.00 train_steps=3.00
[ogbg-mollipo_transformer_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=90 val={'rmse': np.float32(0.6688173)} test={'rmse': np.float32(0.739605)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_transformer_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=pna compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view pna --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found
  warnings.warn(
/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found
  warnings.warn(
ep10 val_rmse=0.83343 halt=0.00 train_steps=1.00
ep20 val_rmse=1.16403 halt=0.00 train_steps=1.00
ep30 val_rmse=0.80225 halt=0.00 train_steps=1.00
ep40 val_rmse=0.92289 halt=0.00 train_steps=1.00
ep50 val_rmse=0.78616 halt=0.00 train_steps=1.00
ep60 val_rmse=0.75145 halt=0.00 train_steps=1.00
ep70 val_rmse=0.71792 halt=0.00 train_steps=1.00
ep80 val_rmse=0.77899 halt=0.00 train_steps=1.00
ep90 val_rmse=0.72670 halt=0.00 train_steps=1.00
ep100 val_rmse=0.72765 halt=0.00 train_steps=1.00
[ogbg-mollipo_pna_classic_T0_ns1_h128_e100_s0] best_ep=70 val={'rmse': np.float32(0.7179175)} test={'rmse': np.float32(0.7749425)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_pna_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=pna compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view pna --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found
  warnings.warn(
/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found
  warnings.warn(
ep10 val_rmse=1.26267 halt=0.00 train_steps=3.00
ep20 val_rmse=0.86750 halt=0.00 train_steps=3.00
ep30 val_rmse=1.20236 halt=0.00 train_steps=3.00
ep40 val_rmse=0.84242 halt=0.00 train_steps=3.00
ep50 val_rmse=1.01859 halt=0.00 train_steps=3.00
ep60 val_rmse=0.81805 halt=0.00 train_steps=3.00
ep70 val_rmse=0.76567 halt=0.00 train_steps=3.00
ep80 val_rmse=0.78532 halt=0.00 train_steps=3.00
ep90 val_rmse=0.74657 halt=0.00 train_steps=3.00
ep100 val_rmse=0.75037 halt=0.00 train_steps=3.00
[ogbg-mollipo_pna_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=90 val={'rmse': np.float32(0.74657387)} test={'rmse': np.float32(0.79080063)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_pna_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=gen compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view gen --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.88033 halt=0.00 train_steps=1.00
ep20 val_rmse=0.86416 halt=0.00 train_steps=1.00
ep30 val_rmse=0.71604 halt=0.00 train_steps=1.00
ep40 val_rmse=0.74136 halt=0.00 train_steps=1.00
ep50 val_rmse=0.72750 halt=0.00 train_steps=1.00
ep60 val_rmse=0.72323 halt=0.00 train_steps=1.00
ep70 val_rmse=0.70463 halt=0.00 train_steps=1.00
ep80 val_rmse=0.71580 halt=0.00 train_steps=1.00
ep90 val_rmse=0.72020 halt=0.00 train_steps=1.00
ep100 val_rmse=0.72490 halt=0.00 train_steps=1.00
[ogbg-mollipo_gen_classic_T0_ns1_h128_e100_s0] best_ep=70 val={'rmse': np.float32(0.7046298)} test={'rmse': np.float32(0.73787534)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_gen_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=gen compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view gen --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.91516 halt=0.00 train_steps=3.00
ep20 val_rmse=0.75993 halt=0.00 train_steps=3.00
ep30 val_rmse=0.76272 halt=0.00 train_steps=3.00
ep40 val_rmse=0.71611 halt=0.00 train_steps=3.00
ep50 val_rmse=0.69283 halt=0.00 train_steps=3.00
ep60 val_rmse=0.67951 halt=0.00 train_steps=3.00
ep70 val_rmse=0.68466 halt=0.00 train_steps=3.00
ep80 val_rmse=0.66161 halt=0.00 train_steps=3.00
ep90 val_rmse=0.65941 halt=0.00 train_steps=3.00
ep100 val_rmse=0.66038 halt=0.00 train_steps=3.00
[ogbg-mollipo_gen_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=90 val={'rmse': np.float32(0.659409)} test={'rmse': np.float32(0.7455868)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_gen_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=film compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view film --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=1.15311 halt=0.00 train_steps=1.00
ep20 val_rmse=0.86404 halt=0.00 train_steps=1.00
ep30 val_rmse=0.87620 halt=0.00 train_steps=1.00
ep40 val_rmse=0.85424 halt=0.00 train_steps=1.00
ep50 val_rmse=0.78557 halt=0.00 train_steps=1.00
ep60 val_rmse=0.80674 halt=0.00 train_steps=1.00
ep70 val_rmse=0.77620 halt=0.00 train_steps=1.00
ep80 val_rmse=0.76441 halt=0.00 train_steps=1.00
ep90 val_rmse=0.76459 halt=0.00 train_steps=1.00
ep100 val_rmse=0.76204 halt=0.00 train_steps=1.00
[ogbg-mollipo_film_classic_T0_ns1_h128_e100_s0] best_ep=100 val={'rmse': np.float32(0.76203656)} test={'rmse': np.float32(0.73708737)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_film_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=film compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view film --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=1.04378 halt=0.00 train_steps=3.00
ep20 val_rmse=1.07263 halt=0.00 train_steps=3.00
ep30 val_rmse=1.03795 halt=0.00 train_steps=3.00
ep40 val_rmse=0.93977 halt=0.00 train_steps=3.00
ep50 val_rmse=0.86991 halt=0.00 train_steps=3.00
ep60 val_rmse=0.86678 halt=0.00 train_steps=3.00
ep70 val_rmse=0.89066 halt=0.00 train_steps=3.00
ep80 val_rmse=0.81220 halt=0.00 train_steps=3.00
ep90 val_rmse=0.81562 halt=0.00 train_steps=3.00
ep100 val_rmse=0.81609 halt=0.00 train_steps=3.00
[ogbg-mollipo_film_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=80 val={'rmse': np.float32(0.81220156)} test={'rmse': np.float32(0.7353014)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_film_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=resgated compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view resgated --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.80940 halt=0.00 train_steps=1.00
ep20 val_rmse=0.95162 halt=0.00 train_steps=1.00
ep30 val_rmse=0.82970 halt=0.00 train_steps=1.00
ep40 val_rmse=0.68267 halt=0.00 train_steps=1.00
ep50 val_rmse=0.67650 halt=0.00 train_steps=1.00
ep60 val_rmse=0.77591 halt=0.00 train_steps=1.00
ep70 val_rmse=0.67205 halt=0.00 train_steps=1.00
ep80 val_rmse=0.69964 halt=0.00 train_steps=1.00
ep90 val_rmse=0.67652 halt=0.00 train_steps=1.00
ep100 val_rmse=0.67709 halt=0.00 train_steps=1.00
[ogbg-mollipo_resgated_classic_T0_ns1_h128_e100_s0] best_ep=70 val={'rmse': np.float32(0.67205405)} test={'rmse': np.float32(0.7270413)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_resgated_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=resgated compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view resgated --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.86604 halt=0.00 train_steps=3.00
ep20 val_rmse=0.90509 halt=0.00 train_steps=3.00
ep30 val_rmse=0.84402 halt=0.00 train_steps=3.00
ep40 val_rmse=0.78208 halt=0.00 train_steps=3.00
ep50 val_rmse=0.71021 halt=0.00 train_steps=3.00
ep60 val_rmse=0.69761 halt=0.00 train_steps=3.00
ep70 val_rmse=0.67663 halt=0.00 train_steps=3.00
ep80 val_rmse=0.69813 halt=0.00 train_steps=3.00
ep90 val_rmse=0.69587 halt=0.00 train_steps=3.00
ep100 val_rmse=0.69198 halt=0.00 train_steps=3.00
[ogbg-mollipo_resgated_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=70 val={'rmse': np.float32(0.67663383)} test={'rmse': np.float32(0.7144216)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_resgated_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=tag compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view tag --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.83020 halt=0.00 train_steps=1.00
ep20 val_rmse=0.79246 halt=0.00 train_steps=1.00
ep30 val_rmse=1.02107 halt=0.00 train_steps=1.00
ep40 val_rmse=0.68975 halt=0.00 train_steps=1.00
ep50 val_rmse=0.71873 halt=0.00 train_steps=1.00
ep60 val_rmse=0.68152 halt=0.00 train_steps=1.00
ep70 val_rmse=0.67573 halt=0.00 train_steps=1.00
ep80 val_rmse=0.68061 halt=0.00 train_steps=1.00
ep90 val_rmse=0.66915 halt=0.00 train_steps=1.00
ep100 val_rmse=0.67219 halt=0.00 train_steps=1.00
[ogbg-mollipo_tag_classic_T0_ns1_h128_e100_s0] best_ep=90 val={'rmse': np.float32(0.66915077)} test={'rmse': np.float32(0.72267145)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_tag_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=tag compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view tag --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=1.00532 halt=0.00 train_steps=3.00
ep20 val_rmse=0.85526 halt=0.00 train_steps=3.00
ep30 val_rmse=0.75036 halt=0.00 train_steps=3.00
ep40 val_rmse=0.77780 halt=0.00 train_steps=3.00
ep50 val_rmse=0.71127 halt=0.00 train_steps=3.00
ep60 val_rmse=0.70010 halt=0.00 train_steps=3.00
ep70 val_rmse=0.71614 halt=0.00 train_steps=3.00
ep80 val_rmse=0.70210 halt=0.00 train_steps=3.00
ep90 val_rmse=0.67431 halt=0.00 train_steps=3.00
ep100 val_rmse=0.67720 halt=0.00 train_steps=3.00
[ogbg-mollipo_tag_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=90 val={'rmse': np.float32(0.6743125)} test={'rmse': np.float32(0.7200687)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_tag_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=sgc compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view sgc --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.82047 halt=0.00 train_steps=1.00
ep20 val_rmse=0.87298 halt=0.00 train_steps=1.00
ep30 val_rmse=0.89161 halt=0.00 train_steps=1.00
ep40 val_rmse=0.97082 halt=0.00 train_steps=1.00
ep50 val_rmse=0.75920 halt=0.00 train_steps=1.00
ep60 val_rmse=0.77458 halt=0.00 train_steps=1.00
ep70 val_rmse=0.75046 halt=0.00 train_steps=1.00
ep80 val_rmse=0.76128 halt=0.00 train_steps=1.00
ep90 val_rmse=0.75428 halt=0.00 train_steps=1.00
ep100 val_rmse=0.75227 halt=0.00 train_steps=1.00
[ogbg-mollipo_sgc_classic_T0_ns1_h128_e100_s0] best_ep=70 val={'rmse': np.float32(0.75045776)} test={'rmse': np.float32(0.81755584)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_sgc_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=sgc compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view sgc --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=1.11783 halt=0.00 train_steps=3.00
ep20 val_rmse=0.90775 halt=0.00 train_steps=3.00
ep30 val_rmse=0.82430 halt=0.00 train_steps=3.00
ep40 val_rmse=0.79161 halt=0.00 train_steps=3.00
ep50 val_rmse=0.75791 halt=0.00 train_steps=3.00
ep60 val_rmse=0.77323 halt=0.00 train_steps=3.00
ep70 val_rmse=0.77519 halt=0.00 train_steps=3.00
ep80 val_rmse=0.76194 halt=0.00 train_steps=3.00
ep90 val_rmse=0.75368 halt=0.00 train_steps=3.00
ep100 val_rmse=0.76065 halt=0.00 train_steps=3.00
[ogbg-mollipo_sgc_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=90 val={'rmse': np.float32(0.75368446)} test={'rmse': np.float32(0.74901825)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_sgc_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=cheb compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view cheb --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.94203 halt=0.00 train_steps=1.00
ep20 val_rmse=0.87526 halt=0.00 train_steps=1.00
ep30 val_rmse=0.79816 halt=0.00 train_steps=1.00
ep40 val_rmse=0.77105 halt=0.00 train_steps=1.00
ep50 val_rmse=0.75290 halt=0.00 train_steps=1.00
ep60 val_rmse=0.74494 halt=0.00 train_steps=1.00
ep70 val_rmse=0.75526 halt=0.00 train_steps=1.00
ep80 val_rmse=0.71994 halt=0.00 train_steps=1.00
ep90 val_rmse=0.71881 halt=0.00 train_steps=1.00
ep100 val_rmse=0.72252 halt=0.00 train_steps=1.00
[ogbg-mollipo_cheb_classic_T0_ns1_h128_e100_s0] best_ep=90 val={'rmse': np.float32(0.7188114)} test={'rmse': np.float32(0.7179735)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_cheb_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=cheb compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view cheb --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.97792 halt=0.00 train_steps=3.00
ep20 val_rmse=0.86852 halt=0.00 train_steps=3.00
ep30 val_rmse=0.75930 halt=0.00 train_steps=3.00
ep40 val_rmse=0.71146 halt=0.00 train_steps=3.00
ep50 val_rmse=0.70679 halt=0.00 train_steps=3.00
ep60 val_rmse=0.70359 halt=0.00 train_steps=3.00
ep70 val_rmse=0.71828 halt=0.00 train_steps=3.00
ep80 val_rmse=0.69905 halt=0.00 train_steps=3.00
ep90 val_rmse=0.70087 halt=0.00 train_steps=3.00
ep100 val_rmse=0.70229 halt=0.00 train_steps=3.00
[ogbg-mollipo_cheb_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=80 val={'rmse': np.float32(0.69904804)} test={'rmse': np.float32(0.7132058)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_cheb_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=arma compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view arma --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.89066 halt=0.00 train_steps=1.00
ep20 val_rmse=0.92272 halt=0.00 train_steps=1.00
ep30 val_rmse=0.78896 halt=0.00 train_steps=1.00
ep40 val_rmse=0.77896 halt=0.00 train_steps=1.00
ep50 val_rmse=0.76699 halt=0.00 train_steps=1.00
ep60 val_rmse=0.73378 halt=0.00 train_steps=1.00
ep70 val_rmse=0.76016 halt=0.00 train_steps=1.00
ep80 val_rmse=0.73247 halt=0.00 train_steps=1.00
ep90 val_rmse=0.73693 halt=0.00 train_steps=1.00
ep100 val_rmse=0.73897 halt=0.00 train_steps=1.00
[ogbg-mollipo_arma_classic_T0_ns1_h128_e100_s0] best_ep=80 val={'rmse': np.float32(0.7324716)} test={'rmse': np.float32(0.7294971)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_arma_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=arma compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view arma --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.87327 halt=0.00 train_steps=3.00
ep20 val_rmse=1.01970 halt=0.00 train_steps=3.00
ep30 val_rmse=0.79921 halt=0.00 train_steps=3.00
ep40 val_rmse=0.71944 halt=0.00 train_steps=3.00
ep50 val_rmse=0.71726 halt=0.00 train_steps=3.00
ep60 val_rmse=0.76737 halt=0.00 train_steps=3.00
ep70 val_rmse=0.73058 halt=0.00 train_steps=3.00
ep80 val_rmse=0.76078 halt=0.00 train_steps=3.00
ep90 val_rmse=0.73802 halt=0.00 train_steps=3.00
ep100 val_rmse=0.73781 halt=0.00 train_steps=3.00
[ogbg-mollipo_arma_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=50 val={'rmse': np.float32(0.71726096)} test={'rmse': np.float32(0.75476235)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_arma_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=mf compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view mf --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.86162 halt=0.00 train_steps=1.00
ep20 val_rmse=0.85789 halt=0.00 train_steps=1.00
ep30 val_rmse=0.73809 halt=0.00 train_steps=1.00
ep40 val_rmse=0.74146 halt=0.00 train_steps=1.00
ep50 val_rmse=0.71292 halt=0.00 train_steps=1.00
ep60 val_rmse=0.73395 halt=0.00 train_steps=1.00
ep70 val_rmse=0.73997 halt=0.00 train_steps=1.00
ep80 val_rmse=0.73043 halt=0.00 train_steps=1.00
ep90 val_rmse=0.73206 halt=0.00 train_steps=1.00
ep100 val_rmse=0.73301 halt=0.00 train_steps=1.00
[ogbg-mollipo_mf_classic_T0_ns1_h128_e100_s0] best_ep=50 val={'rmse': np.float32(0.7129222)} test={'rmse': np.float32(0.7404879)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_mf_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=mf compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view mf --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=0.81723 halt=0.00 train_steps=3.00
ep20 val_rmse=0.80122 halt=0.00 train_steps=3.00
ep30 val_rmse=0.77347 halt=0.00 train_steps=3.00
ep40 val_rmse=0.77796 halt=0.00 train_steps=3.00
ep50 val_rmse=0.73664 halt=0.00 train_steps=3.00
ep60 val_rmse=0.72824 halt=0.00 train_steps=3.00
ep70 val_rmse=0.71114 halt=0.00 train_steps=3.00
ep80 val_rmse=0.72520 halt=0.00 train_steps=3.00
ep90 val_rmse=0.70653 halt=0.00 train_steps=3.00
ep100 val_rmse=0.70497 halt=0.00 train_steps=3.00
[ogbg-mollipo_mf_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=100 val={'rmse': np.float32(0.7049702)} test={'rmse': np.float32(0.7100952)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_mf_fixed-rrog_T1_ns3_h128_e100_s0.json
[run] ogbg-mollipo view=appnp compute=classic T=0 ns=1 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view appnp --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=1.14396 halt=0.00 train_steps=1.00
ep20 val_rmse=1.07213 halt=0.00 train_steps=1.00
ep30 val_rmse=0.97016 halt=0.00 train_steps=1.00
ep40 val_rmse=1.05400 halt=0.00 train_steps=1.00
ep50 val_rmse=1.05925 halt=0.00 train_steps=1.00
ep60 val_rmse=0.93170 halt=0.00 train_steps=1.00
ep70 val_rmse=0.90754 halt=0.00 train_steps=1.00
ep80 val_rmse=0.90773 halt=0.00 train_steps=1.00
ep90 val_rmse=0.91195 halt=0.00 train_steps=1.00
ep100 val_rmse=0.90148 halt=0.00 train_steps=1.00
[ogbg-mollipo_appnp_classic_T0_ns1_h128_e100_s0] best_ep=100 val={'rmse': np.float32(0.901481)} test={'rmse': np.float32(0.9070075)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_appnp_classic_T0_ns1_h128_e100_s0.json
[run] ogbg-mollipo view=appnp compute=fixed-rrog T=1 ns=3 device=cuda:1
python3 rrog/train_ogb_graphprop.py --dataset ogbg-mollipo --view appnp --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1
ep10 val_rmse=1.03741 halt=0.00 train_steps=3.00
ep20 val_rmse=0.92784 halt=0.00 train_steps=3.00
ep30 val_rmse=0.99124 halt=0.00 train_steps=3.00
ep40 val_rmse=0.90729 halt=0.00 train_steps=3.00
ep50 val_rmse=0.87637 halt=0.00 train_steps=3.00
ep60 val_rmse=0.86910 halt=0.00 train_steps=3.00
ep70 val_rmse=0.83926 halt=0.00 train_steps=3.00
ep80 val_rmse=0.87004 halt=0.00 train_steps=3.00
ep90 val_rmse=0.85671 halt=0.00 train_steps=3.00
ep100 val_rmse=0.85874 halt=0.00 train_steps=3.00
[ogbg-mollipo_appnp_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=70 val={'rmse': np.float32(0.8392647)} test={'rmse': np.float32(0.917393)} adaptive=None steps=None
  wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-mollipo_appnp_fixed-rrog_T1_ns3_h128_e100_s0.json

Classic baseline: task x backbone
| task | backbone | metric | n | val | test |
| --- | --- | --- | --- | --- | --- |
| ogbg-molbace | appnp | rocauc | 1 | 0.6564 +/- 0.0000 | 0.7423 +/- 0.0000 |
| ogbg-molbace | arma | rocauc | 1 | 0.6923 +/- 0.0000 | 0.7839 +/- 0.0000 |
| ogbg-molbace | cheb | rocauc | 1 | 0.7267 +/- 0.0000 | 0.7969 +/- 0.0000 |
| ogbg-molbace | film | rocauc | 1 | 0.6703 +/- 0.0000 | 0.7242 +/- 0.0000 |
| ogbg-molbace | gatv2 | rocauc | 1 | 0.7029 +/- 0.0000 | 0.7400 +/- 0.0000 |
| ogbg-molbace | gcn | rocauc | 1 | 0.6381 +/- 0.0000 | 0.7393 +/- 0.0000 |
| ogbg-molbace | gen | rocauc | 1 | 0.7128 +/- 0.0000 | 0.7326 +/- 0.0000 |
| ogbg-molbace | gin | rocauc | 1 | 0.6520 +/- 0.0000 | 0.7336 +/- 0.0000 |
| ogbg-molbace | gine | rocauc | 1 | 0.6641 +/- 0.0000 | 0.7454 +/- 0.0000 |
| ogbg-molbace | graphconv | rocauc | 1 | 0.7311 +/- 0.0000 | 0.8035 +/- 0.0000 |
| ogbg-molbace | graphsage | rocauc | 1 | 0.6758 +/- 0.0000 | 0.7759 +/- 0.0000 |
| ogbg-molbace | mf | rocauc | 1 | 0.7421 +/- 0.0000 | 0.7760 +/- 0.0000 |
| ogbg-molbace | pna | rocauc | 1 | 0.7516 +/- 0.0000 | 0.6912 +/- 0.0000 |
| ogbg-molbace | resgated | rocauc | 1 | 0.7172 +/- 0.0000 | 0.7877 +/- 0.0000 |
| ogbg-molbace | sgc | rocauc | 1 | 0.6575 +/- 0.0000 | 0.6966 +/- 0.0000 |
| ogbg-molbace | tag | rocauc | 1 | 0.7084 +/- 0.0000 | 0.7345 +/- 0.0000 |
| ogbg-molbace | transformer | rocauc | 1 | 0.6663 +/- 0.0000 | 0.7364 +/- 0.0000 |
| ogbg-molbbbp | appnp | rocauc | 1 | 0.9147 +/- 0.0000 | 0.6388 +/- 0.0000 |
| ogbg-molbbbp | arma | rocauc | 1 | 0.9367 +/- 0.0000 | 0.6651 +/- 0.0000 |
| ogbg-molbbbp | cheb | rocauc | 1 | 0.9452 +/- 0.0000 | 0.6514 +/- 0.0000 |
| ogbg-molbbbp | film | rocauc | 1 | 0.9285 +/- 0.0000 | 0.6300 +/- 0.0000 |
| ogbg-molbbbp | gatv2 | rocauc | 1 | 0.9347 +/- 0.0000 | 0.6324 +/- 0.0000 |
| ogbg-molbbbp | gcn | rocauc | 1 | 0.9386 +/- 0.0000 | 0.6679 +/- 0.0000 |
| ogbg-molbbbp | gen | rocauc | 1 | 0.9549 +/- 0.0000 | 0.6775 +/- 0.0000 |
| ogbg-molbbbp | gin | rocauc | 1 | 0.9251 +/- 0.0000 | 0.5670 +/- 0.0000 |
| ogbg-molbbbp | gine | rocauc | 1 | 0.9324 +/- 0.0000 | 0.6160 +/- 0.0000 |
| ogbg-molbbbp | graphconv | rocauc | 1 | 0.9268 +/- 0.0000 | 0.5900 +/- 0.0000 |
| ogbg-molbbbp | graphsage | rocauc | 1 | 0.9483 +/- 0.0000 | 0.6288 +/- 0.0000 |
| ogbg-molbbbp | mf | rocauc | 1 | 0.9395 +/- 0.0000 | 0.6365 +/- 0.0000 |
| ogbg-molbbbp | pna | rocauc | 1 | 0.9554 +/- 0.0000 | 0.6418 +/- 0.0000 |
| ogbg-molbbbp | resgated | rocauc | 1 | 0.9183 +/- 0.0000 | 0.6626 +/- 0.0000 |
| ogbg-molbbbp | sgc | rocauc | 1 | 0.9300 +/- 0.0000 | 0.6239 +/- 0.0000 |
| ogbg-molbbbp | tag | rocauc | 1 | 0.9476 +/- 0.0000 | 0.6100 +/- 0.0000 |
| ogbg-molbbbp | transformer | rocauc | 1 | 0.9495 +/- 0.0000 | 0.6156 +/- 0.0000 |
| ogbg-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 | 1 | 0.7675 +/- 0.0000 | 0.7000 +/- 0.0000 |
| ogbg-molhiv | arma | rocauc | 1 | 0.7872 +/- 0.0000 | 0.7296 +/- 0.0000 |
| ogbg-molhiv | cheb | rocauc | 1 | 0.7831 +/- 0.0000 | 0.7282 +/- 0.0000 |
| ogbg-molhiv | film | rocauc | 1 | 0.7922 +/- 0.0000 | 0.7842 +/- 0.0000 |
| ogbg-molhiv | gatv2 | rocauc | 1 | 0.7835 +/- 0.0000 | 0.7563 +/- 0.0000 |
| ogbg-molhiv | gcn | rocauc | 1 | 0.7754 +/- 0.0000 | 0.7198 +/- 0.0000 |
| ogbg-molhiv | gen | rocauc | 1 | 0.7530 +/- 0.0000 | 0.7314 +/- 0.0000 |
| ogbg-molhiv | gin | rocauc | 1 | 0.8167 +/- 0.0000 | 0.7724 +/- 0.0000 |
| ogbg-molhiv | gine | rocauc | 1 | 0.7942 +/- 0.0000 | 0.7445 +/- 0.0000 |
| ogbg-molhiv | graphconv | rocauc | 1 | 0.7707 +/- 0.0000 | 0.7108 +/- 0.0000 |
| ogbg-molhiv | graphsage | rocauc | 1 | 0.7969 +/- 0.0000 | 0.7625 +/- 0.0000 |
| ogbg-molhiv | mf | rocauc | 1 | 0.7845 +/- 0.0000 | 0.7074 +/- 0.0000 |
| ogbg-molhiv | pna | rocauc | 1 | 0.7780 +/- 0.0000 | 0.7648 +/- 0.0000 |
| ogbg-molhiv | resgated | rocauc | 1 | 0.8144 +/- 0.0000 | 0.7242 +/- 0.0000 |
| ogbg-molhiv | sgc | rocauc | 1 | 0.7479 +/- 0.0000 | 0.7019 +/- 0.0000 |
| ogbg-molhiv | tag | rocauc | 1 | 0.7528 +/- 0.0000 | 0.7255 +/- 0.0000 |
| ogbg-molhiv | transformer | rocauc | 1 | 0.7617 +/- 0.0000 | 0.7547 +/- 0.0000 |
| 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-T3-ns3 | rocauc | 1 | 0.7203 (-0.0471) | 0.6825 (-0.0175) |  |
| ogbg-molhiv | arma | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7956 (0.0084) | 0.6967 (-0.0329) |  |
| 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 | 1 | 0.7947 (0.0116) | 0.7290 (0.0008) |  |
| 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 | 1 | 0.8251 (0.0330) | 0.7725 (-0.0117) |  |
| 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 | 1 | 0.8049 (0.0214) | 0.7486 (-0.0077) |  |
| ogbg-molhiv | gatv2 | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7835 (0.0001) | 0.7466 (-0.0096) |  |
| ogbg-molhiv | gcn | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7833 (0.0079) | 0.7448 (0.0250) |  |
| ogbg-molhiv | gcn | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7455 (-0.0300) | 0.7483 (0.0285) |  |
| ogbg-molhiv | gen | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7740 (0.0210) | 0.7590 (0.0276) |  |
| ogbg-molhiv | gen | fixed-rrog-T3-ns3 | rocauc | 1 | 0.8128 (0.0598) | 0.7631 (0.0318) |  |
| ogbg-molhiv | gin | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7710 (-0.0457) | 0.7668 (-0.0056) |  |
| ogbg-molhiv | gin | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7524 (-0.0644) | 0.7324 (-0.0400) |  |
| ogbg-molhiv | gine | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7490 (-0.0453) | 0.7376 (-0.0070) |  |
| ogbg-molhiv | gine | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7575 (-0.0368) | 0.7401 (-0.0044) |  |
| ogbg-molhiv | graphconv | fixed-rrog-T1-ns3 | rocauc | 1 | 0.7817 (0.0110) | 0.7493 (0.0385) |  |
| 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 | 1 | 0.7893 (-0.0075) | 0.7633 (0.0008) |  |
| 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 | 1 | 0.7754 (-0.0091) | 0.7115 (0.0041) |  |
| 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 | 1 | 0.8097 (0.0317) | 0.7602 (-0.0046) |  |
| 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 | 1 | 0.7923 (-0.0221) | 0.7227 (-0.0015) |  |
| 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 | 1 | 0.7659 (0.0181) | 0.7136 (0.0117) |  |
| 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 | 1 | 0.7717 (0.0189) | 0.7181 (-0.0074) |  |
| 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 | 1 | 0.7838 (0.0221) | 0.7648 (0.0100) |  |
| 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) |  |