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diff --git a/logs/ogbg-molclintox_0.log b/logs/ogbg-molclintox_0.log new file mode 100644 index 0000000..71cb703 --- /dev/null +++ b/logs/ogbg-molclintox_0.log @@ -0,0 +1,756 @@ +[run] ogbg-molclintox view=gin compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --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/clintox.zip +
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Downloaded 0.00 GB: 100%|██████████| 2/2 [00:00<00:00, 1750.18it/s] +Processing... +Extracting /orion/u/oscarwan/rrog-gnn-runner/data/ogb/clintox.zip +Loading necessary files... +This might take a while. +Processing graphs... +
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100%|██████████| 1477/1477 [00:00<00:00, 90670.73it/s] +Converting graphs into PyG objects... +
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100%|██████████| 1477/1477 [00:00<00:00, 68546.06it/s] +Done! +Saving... +ep10 val_rocauc=0.83043 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.84184 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.95471 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.93925 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.92535 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.94904 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.93532 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.92022 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.93040 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.92970 halt=0.00 train_steps=1.00 +[ogbg-molclintox_gin_classic_T0_ns1_h128_e100_s0] best_ep=30 val={'rocauc': 0.9547104304146558} test={'rocauc': 0.8586383067459077} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_gin_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=gin compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view gin --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.83909 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.83210 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.81964 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.84041 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.87796 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.89288 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.91569 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.91639 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.91030 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.90596 halt=0.00 train_steps=3.00 +[ogbg-molclintox_gin_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=80 val={'rocauc': 0.9163892445582587} test={'rocauc': 0.8788013067806625} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_gin_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=gine compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view gine --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.77703 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.89547 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.93305 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.93277 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.93526 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.91819 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.89099 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.90036 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.89695 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.89952 halt=0.00 train_steps=1.00 +[ogbg-molclintox_gine_classic_T0_ns1_h128_e100_s0] best_ep=50 val={'rocauc': 0.9352564102564103} test={'rocauc': 0.8869330622458556} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_gine_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=gine compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view gine --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.85987 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.85202 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.92254 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.90400 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.82272 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.90346 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.86070 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.86354 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.85770 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.85969 halt=0.00 train_steps=3.00 +[ogbg-molclintox_gine_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=30 val={'rocauc': 0.9225425982468236} test={'rocauc': 0.8839597886907865} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_gine_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=gcn compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view gcn --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.90793 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.89688 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.89512 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.90011 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.90978 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.93185 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.92404 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.91820 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.92788 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.92799 halt=0.00 train_steps=1.00 +[ogbg-molclintox_gcn_classic_T0_ns1_h128_e100_s0] best_ep=60 val={'rocauc': 0.9318477297350538} test={'rocauc': 0.8932080422618427} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_gcn_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=gcn compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view gcn --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.90811 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.90232 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.85310 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.87060 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.90973 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.90737 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.89160 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.90489 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.90900 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.90818 halt=0.00 train_steps=3.00 +[ogbg-molclintox_gcn_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=50 val={'rocauc': 0.909733576282872} test={'rocauc': 0.8791896917248809} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_gcn_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=graphsage compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view graphsage --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.90614 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.86131 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.91430 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.90922 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.88325 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.89701 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.89525 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.88834 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.88706 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.88764 halt=0.00 train_steps=1.00 +[ogbg-molclintox_graphsage_classic_T0_ns1_h128_e100_s0] best_ep=30 val={'rocauc': 0.9143020125414492} test={'rocauc': 0.8881694644284572} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_graphsage_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=graphsage compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view graphsage --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.95791 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.84252 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.92818 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.93544 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.91088 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.88493 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.88421 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.87990 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.87311 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.87498 halt=0.00 train_steps=3.00 +[ogbg-molclintox_graphsage_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=10 val={'rocauc': 0.957908171640566} test={'rocauc': 0.8664451047857367} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_graphsage_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=gatv2 compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view gatv2 --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.84476 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.95149 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.91646 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.86488 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.87970 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.89911 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.86614 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.87327 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.87467 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.87408 halt=0.00 train_steps=1.00 +[ogbg-molclintox_gatv2_classic_T0_ns1_h128_e100_s0] best_ep=20 val={'rocauc': 0.9514880659246856} test={'rocauc': 0.849258853786536} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_gatv2_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=gatv2 compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view gatv2 --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.88147 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.91892 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.93508 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.87244 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.89978 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.91147 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.90529 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.89732 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.89978 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.90107 halt=0.00 train_steps=3.00 +[ogbg-molclintox_gatv2_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=30 val={'rocauc': 0.9350807643061164} test={'rocauc': 0.8328163556111632} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_gatv2_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=graphconv compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view graphconv --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.86711 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.85132 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.89173 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.85924 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.85122 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.85203 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.85169 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.85318 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.86031 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.85341 halt=0.00 train_steps=1.00 +[ogbg-molclintox_graphconv_classic_T0_ns1_h128_e100_s0] best_ep=30 val={'rocauc': 0.8917274040513478} test={'rocauc': 0.850132937128558} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_graphconv_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=graphconv compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view graphconv --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.84747 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.76048 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.82325 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.84937 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.79834 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.82018 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.79431 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.78760 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.78724 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.79087 halt=0.00 train_steps=3.00 +[ogbg-molclintox_graphconv_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=40 val={'rocauc': 0.849372106766473} test={'rocauc': 0.8185512459597539} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_graphconv_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=transformer compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view transformer --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.92705 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.88443 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.90818 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.87958 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.86168 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.85327 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.85162 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.84566 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.84519 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.84647 halt=0.00 train_steps=1.00 +[ogbg-molclintox_transformer_classic_T0_ns1_h128_e100_s0] best_ep=10 val={'rocauc': 0.9270511178961884} test={'rocauc': 0.8763771591422514} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_transformer_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=transformer compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view transformer --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.93220 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.89666 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.87739 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.85882 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.87220 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.86733 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.85830 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.85875 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.85945 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.86015 halt=0.00 train_steps=3.00 +[ogbg-molclintox_transformer_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=10 val={'rocauc': 0.9321957385337667} test={'rocauc': 0.8521686998227505} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_transformer_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=pna compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view pna --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep10 val_rocauc=0.92859 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=0.80558 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=0.86447 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=0.88785 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=0.89099 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=0.82869 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=0.86585 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=0.86096 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=0.86236 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=0.86669 halt=0.00 train_steps=1.00 +[ogbg-molclintox_pna_classic_T0_ns1_h128_e100_s0] best_ep=10 val={'rocauc': 0.9285867887980563} test={'rocauc': 0.8602891599763668} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_pna_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=pna compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view pna --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='min')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +/orion/u/oscarwan/rrog-gnn-runner/.venv/lib/python3.13/site-packages/torch_geometric/utils/_scatter.py:91: UserWarning: The usage of `scatter(reduce='max')` can be accelerated via the 'torch-scatter' package, but it was not found + warnings.warn( +ep10 val_rocauc=0.90641 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=0.74479 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=0.80852 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=0.89954 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=0.82959 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=0.80479 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=0.80490 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=0.80773 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=0.77999 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=0.78094 halt=0.00 train_steps=3.00 +[ogbg-molclintox_pna_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=10 val={'rocauc': 0.9064094356347877} test={'rocauc': 0.8734968546901609} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_pna_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=gen compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view gen --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.98202 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.88923 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.88643 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.91053 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.86987 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.85782 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.88061 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.85117 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.83901 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.83713 halt=0.00 train_steps=1.00 +[ogbg-molclintox_gen_classic_T0_ns1_h128_e100_s0] best_ep=10 val={'rocauc': 0.9820184510325356} test={'rocauc': 0.8127689153025406} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_gen_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=gen compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view gen --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.90138 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.93158 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.93989 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.92932 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.88558 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.87502 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.85864 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.84902 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.83837 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.83591 halt=0.00 train_steps=3.00 +[ogbg-molclintox_gen_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=30 val={'rocauc': 0.9398880462260745} test={'rocauc': 0.8194027386786223} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_gen_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=film compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view film --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.90481 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.86948 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.85559 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.87663 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.87551 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.87420 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.86984 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.87219 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.86844 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.86914 halt=0.00 train_steps=1.00 +[ogbg-molclintox_film_classic_T0_ns1_h128_e100_s0] best_ep=10 val={'rocauc': 0.9048138481237074} test={'rocauc': 0.7730589441490285} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_film_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=film compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view film --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.88496 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.91233 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.92508 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.93170 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.94537 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.94106 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.93919 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.94293 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.94003 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.93757 halt=0.00 train_steps=3.00 +[ogbg-molclintox_film_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=50 val={'rocauc': 0.9453700055812732} test={'rocauc': 0.8429647586278803} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_film_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=resgated compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view resgated --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.87012 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.92438 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.86702 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.91514 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.91738 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.92406 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.90505 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.90496 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.91198 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.91140 halt=0.00 train_steps=1.00 +[ogbg-molclintox_resgated_classic_T0_ns1_h128_e100_s0] best_ep=20 val={'rocauc': 0.9243803145211595} test={'rocauc': 0.9184252597921663} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_resgated_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=resgated compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view resgated --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.88666 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.86182 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.87936 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.90554 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.88316 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.87763 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.86391 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.86179 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.86274 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.86226 halt=0.00 train_steps=3.00 +[ogbg-molclintox_resgated_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=40 val={'rocauc': 0.9055377720870679} test={'rocauc': 0.8978999409168318} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_resgated_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=tag compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view tag --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.92366 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.87789 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.88531 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.87445 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.84911 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.82478 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.81727 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.82848 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.81903 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.81763 halt=0.00 train_steps=1.00 +[ogbg-molclintox_tag_classic_T0_ns1_h128_e100_s0] best_ep=10 val={'rocauc': 0.923656390557799} test={'rocauc': 0.7998149306641643} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_tag_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=tag compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view tag --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.80381 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.90305 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.82746 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.91828 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.89686 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.87545 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.86013 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.84718 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.84695 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.84320 halt=0.00 train_steps=3.00 +[ogbg-molclintox_tag_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=40 val={'rocauc': 0.9182762073607145} test={'rocauc': 0.8432784207416675} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_tag_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=sgc compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view sgc --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.81420 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.87330 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.88533 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.89801 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.90011 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.90184 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.91949 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.90453 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.90570 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.90441 halt=0.00 train_steps=1.00 +[ogbg-molclintox_sgc_classic_T0_ns1_h128_e100_s0] best_ep=70 val={'rocauc': 0.9194852096260546} test={'rocauc': 0.8985793973516839} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_sgc_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=sgc compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view sgc --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.80217 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.86031 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.89787 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.92197 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.89216 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.88502 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.87652 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.86729 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.88099 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.87993 halt=0.00 train_steps=3.00 +[ogbg-molclintox_sgc_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=40 val={'rocauc': 0.9219696969696969} test={'rocauc': 0.9054147985959059} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_sgc_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=cheb compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view cheb --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.87442 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.88236 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.89279 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.85328 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.85443 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.84836 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.84369 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.84240 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.83936 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.83877 halt=0.00 train_steps=1.00 +[ogbg-molclintox_cheb_classic_T0_ns1_h128_e100_s0] best_ep=30 val={'rocauc': 0.8927886667323287} test={'rocauc': 0.9152165224342266} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_cheb_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=cheb compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view cheb --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.87090 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.87367 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.80362 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.86133 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.88164 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.86596 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.85975 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.85354 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.84862 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.85259 halt=0.00 train_steps=3.00 +[ogbg-molclintox_cheb_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=50 val={'rocauc': 0.8816384319905446} test={'rocauc': 0.8982283738226811} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_cheb_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=arma compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view arma --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.77612 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.90207 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.92264 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.94629 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.91352 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.93214 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.92302 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.92090 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.91950 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.91891 halt=0.00 train_steps=1.00 +[ogbg-molclintox_arma_classic_T0_ns1_h128_e100_s0] best_ep=40 val={'rocauc': 0.9462941987589875} test={'rocauc': 0.8678231327981094} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_arma_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=arma compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view arma --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.84999 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.88115 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.88909 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.85445 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.91353 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.89471 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.89647 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.88417 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.88465 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.88336 halt=0.00 train_steps=3.00 +[ogbg-molclintox_arma_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=50 val={'rocauc': 0.9135288420499689} test={'rocauc': 0.8863352796024051} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_arma_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=mf compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view mf --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.92515 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.89990 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.92116 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.89706 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.91531 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.90167 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.89661 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.89602 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.89731 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.89672 halt=0.00 train_steps=1.00 +[ogbg-molclintox_mf_classic_T0_ns1_h128_e100_s0] best_ep=10 val={'rocauc': 0.9251534850126399} test={'rocauc': 0.8369808501025267} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_mf_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=mf compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view mf --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.81387 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.91473 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.91089 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.91420 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.86880 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.88485 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.87498 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.86526 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.85986 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.85916 halt=0.00 train_steps=3.00 +[ogbg-molclintox_mf_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=20 val={'rocauc': 0.9147271742342165} test={'rocauc': 0.804700587356202} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_mf_fixed-rrog_T1_ns3_h128_e100_s0.json +[run] ogbg-molclintox view=appnp compute=classic T=0 ns=1 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view appnp --compute classic --T 0 --n_sup 1 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.74829 halt=0.00 train_steps=1.00 +ep20 val_rocauc=0.82319 halt=0.00 train_steps=1.00 +ep30 val_rocauc=0.79624 halt=0.00 train_steps=1.00 +ep40 val_rocauc=0.80150 halt=0.00 train_steps=1.00 +ep50 val_rocauc=0.84421 halt=0.00 train_steps=1.00 +ep60 val_rocauc=0.85159 halt=0.00 train_steps=1.00 +ep70 val_rocauc=0.83837 halt=0.00 train_steps=1.00 +ep80 val_rocauc=0.84119 halt=0.00 train_steps=1.00 +ep90 val_rocauc=0.83171 halt=0.00 train_steps=1.00 +ep100 val_rocauc=0.83499 halt=0.00 train_steps=1.00 +[ogbg-molclintox_appnp_classic_T0_ns1_h128_e100_s0] best_ep=60 val={'rocauc': 0.8515931251846744} test={'rocauc': 0.9184287352726515} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_appnp_classic_T0_ns1_h128_e100_s0.json +[run] ogbg-molclintox view=appnp compute=fixed-rrog T=1 ns=3 device=cuda:1 +python3 rrog/train_ogb_graphprop.py --dataset ogbg-molclintox --view appnp --compute fixed-rrog --T 1 --n_sup 3 --hidden 128 --bs 128 --epochs 100 --eval_every 10 --agg_layers 5 --compute_layers 2 --seed 0 --device cuda:1 +ep10 val_rocauc=0.77085 halt=0.00 train_steps=3.00 +ep20 val_rocauc=0.89489 halt=0.00 train_steps=3.00 +ep30 val_rocauc=0.84491 halt=0.00 train_steps=3.00 +ep40 val_rocauc=0.90294 halt=0.00 train_steps=3.00 +ep50 val_rocauc=0.87489 halt=0.00 train_steps=3.00 +ep60 val_rocauc=0.87412 halt=0.00 train_steps=3.00 +ep70 val_rocauc=0.88602 halt=0.00 train_steps=3.00 +ep80 val_rocauc=0.88457 halt=0.00 train_steps=3.00 +ep90 val_rocauc=0.87652 halt=0.00 train_steps=3.00 +ep100 val_rocauc=0.87735 halt=0.00 train_steps=3.00 +[ogbg-molclintox_appnp_fixed-rrog_T1_ns3_h128_e100_s0] best_ep=40 val={'rocauc': 0.9029408385042188} test={'rocauc': 0.8898090223473396} adaptive=None steps=None + wrote /orion/u/oscarwan/rrog-gnn-runner/runs/ogbg-molclintox_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-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-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-molhiv | appnp | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7203 (-0.0471) | 0.6825 (-0.0175) | | +| ogbg-molhiv | arma | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7926 (0.0054) | 0.7318 (0.0021) | | +| ogbg-molhiv | cheb | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7735 (-0.0096) | 0.7426 (0.0144) | | +| ogbg-molhiv | film | fixed-rrog-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-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-T3-ns3 | rocauc | 1 | 0.8174 (0.0030) | 0.7055 (-0.0187) | | +| ogbg-molhiv | sgc | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7482 (0.0003) | 0.7177 (0.0158) | | +| ogbg-molhiv | tag | fixed-rrog-T3-ns3 | rocauc | 1 | 0.7804 (0.0276) | 0.7352 (0.0096) | | +| ogbg-molhiv | transformer | fixed-rrog-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-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) | | |