Tönshoff, Ritzert, Rosenbluth, Grohe, RWTH Aachen and Göttingen (2023) — ARXIV-2309.00367
Key takeaways
- Peptides (Table 1a): after tuning, GCN reaches AP 0.686 (reported 0.593) and MAE 0.246 (reported 0.350). GINE and GatedGCN improve similarly. GPS re-tuned is unchanged (0.653, 0.251). Every MPGNN now beats GPS, and GCN matches the best published result on Peptides-struct
- The head (Figure 1b): swapping the linear prediction head for a 2-layer MLP, with nothing else changed, accounts for most of the MPGNN gain, and almost all of it on Peptides-struct. GPS is insensitive to the head
- Superpixels (Table 2): channel-wise feature normalization helps every model. It accounts for at least half the gain for all but GatedGCN, where it mainly cuts seed variance. After tuning, GatedGCN reaches F1 0.388 on PascalVOC-SP, above GPS’s originally reported 0.375. GPS itself rises to 0.444 and stays ahead
- PCQM-Contact: the official code computes raw MRR, not the filtered MRR the benchmark defines. Self-loop candidates also bias the symmetric scoring function
Standing in the anthology
Filed from #163 (“graph representation / gnn”). It is
compared_against GIN (LIT-580), whose edge-feature variant GINE is
one of the retuned baselines. It sources SOTA-349.
Scope of “the gap vanished”. It vanished on the two Peptides datasets. On PascalVOC-SP and COCO-SP, tuned GPS still leads tuned MPGNNs, by 5.6 and 9.6 F1 points. The paper is a short preprint with a 500k-parameter budget, and the LRGB paper it re-examines is not in the record.
Read — NOTE-317.