Source

Tönshoff et al. (2023), LIT-579. Read as NOTE-317. The general form is SOTA-350.

The practice

The recommendation is LIT-579’s. Tönshoff et al. re-ran the Long-Range Graph Benchmark with message-passing baselines tuned as carefully as the transformer, in the same 500k-parameter budget. Retuned GCN went from 0.593 to 0.686 AP on Peptides-func and from 0.350 to 0.246 MAE on Peptides-struct, past GPS at 0.653 and 0.251, and the MLP head alone accounts for most of that gain. On PascalVOC-SP GPS still leads after tuning (F1 0.444 against GatedGCN’s 0.388), and normalization is at least half of most models’ gain there.

  • Give the MPGNN an MLP readout. A linear head on pooled node states was the largest single handicap on Peptides
  • Treat positional or structural encodings (none, LapPE, RWSE) as a hyperparameter for every model, not only the transformer
  • Normalize input features per channel. The superpixel datasets mix scales across orders of magnitude, and normalizing helped every model and cut variance
  • Tune depth, dropout and the other main hyperparameters for baselines and proposal alike, under the same parameter budget
  • Check the metric’s implementation against its definition. The benchmark’s code computed raw MRR instead of the filtered MRR it specified

Conditions

  • The gap closed on Peptides and did not close on PascalVOC-SP or COCO-SP. Long-range benefits of attention are dataset-specific, not absent
  • 500k-parameter models