Graph Regression on ZINC-500k

Metric: MAE (lower is better)

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#	Model↕	MAE▲	Extra Data	Paper	Date↕	Code
1	ESA + rings + NodeRWSE + EdgeRWSE	0.051	No	An end-to-end attention-based approach for learn...	2024-02-16	Code
2	CSA	0.056	No	Self-Attention in Colors: Another Take on Encodi...	2023-04-21	Code
3	N2-GNN	0.059	No	Extending the Design Space of Graph Neural Netwo...	2023-06-05	Code
4	GRIT	0.059	No	Graph Inductive Biases in Transformers without M...	2023-05-27	Code
5	GraphGPS + HDSE	0.062	No	Enhancing Graph Transformers with Hierarchical D...	2023-08-22	Code
6	MFN (CGN)	0.063	No	Equivariant Matrix Function Neural Networks	2023-10-16	-
7	GIN+	0.065	No	Unlocking the Potential of Classic GNNs for Grap...	2025-02-13	Code
8	B-PEARL	0.0655	No	-	-	Code
9	PDF	0.066	No	Towards Better Graph Representation Learning wit...	2023-05-10	Code
10	R-PEARL	0.0696	No	-	-	Code
11	Spec-GN	0.0698	No	A New Perspective on the Effects of Spectrum in ...	2021-12-14	Code
12	GPS	0.07	No	Recipe for a General, Powerful, Scalable Graph T...	2022-05-25	Code
13	SAGNN	0.072	No	-	-	Code
14	GPTrans-Nano	0.077	No	Graph Propagation Transformer for Graph Represen...	2023-05-19	Code
15	CIN	0.079	No	Weisfeiler and Lehman Go Cellular: CW Networks	2021-06-23	Code
16	PNA-SignNet	0.084	No	Sign and Basis Invariant Networks for Spectral G...	2022-02-25	Code
17	CRaWl+VN	0.088	No	Walking Out of the Weisfeiler Leman Hierarchy: G...	2021-02-17	Code
18	GatedGCN-LSPE	0.09	No	Graph Neural Networks with Learnable Structural ...	2021-10-15	Code
19	CIN-small	0.094	No	Weisfeiler and Lehman Go Cellular: CW Networks	2021-06-23	Code
20	PNA-LSPE	0.095	No	Graph Neural Networks with Learnable Structural ...	2021-10-15	Code
21	CRaWl	0.101	No	Walking Out of the Weisfeiler Leman Hierarchy: G...	2021-02-17	Code
22	GSN	0.101	No	Improving Graph Neural Network Expressivity via ...	2020-06-16	Code
23	SAN-LSPE	0.104	No	Graph Neural Networks with Learnable Structural ...	2021-10-15	Code
24	EGT	0.108	No	Global Self-Attention as a Replacement for Graph...	2021-08-07	Code
25	Graphormer-SLIM	0.122	No	Do Transformers Really Perform Bad for Graph Rep...	2021-06-09	Code
26	MPNN (sum)	0.145	No	Neural Message Passing for Quantum Chemistry	2017-04-04	Code
27	GatedGCN-PE	0.214	No	Benchmarking Graph Neural Networks	2020-03-02	Code
28	GatedGCN-E-PE	0.214	No	Benchmarking Graph Neural Networks	2020-03-02	Code
29	MPNN (max)	0.252	No	Neural Message Passing for Quantum Chemistry	2017-04-04	Code
30	GatedGCN	0.282	No	Residual Gated Graph ConvNets	2017-11-20	Code
31	MoNet	0.292	No	Geometric deep learning on graphs and manifolds ...	2016-11-25	Code
32	3WLGNN	0.303	No	Provably Powerful Graph Networks	2019-05-27	Code
33	RingGNN	0.353	No	On the equivalence between graph isomorphism tes...	2019-05-29	Code
34	GraphSage	0.398	No	Inductive Representation Learning on Large Graphs	2017-06-07	Code
35	GIN	0.526	No	How Powerful are Graph Neural Networks?	2018-10-01	Code
36	CKGCN	5.9	No	CKGConv: General Graph Convolution with Continuo...	2024-04-21	Code

#1ESA + rings + NodeRWSE + EdgeRWSESOTA
0.051
MAE· 2024-02-16
An end-to-end attention-based approach for learning on graphs Code
#2CSASOTA
0.056
MAE· 2023-04-21
Self-Attention in Colors: Another Take on Encoding Graph Structure in Transformers Code
#3N2-GNN
0.059
MAE· 2023-06-05
Extending the Design Space of Graph Neural Networks by Rethinking Folklore Weisfeiler-Lehman Code
#4GRIT
0.059
MAE· 2023-05-27
Graph Inductive Biases in Transformers without Message Passing Code
#5GraphGPS + HDSE
0.062
MAE· 2023-08-22
Enhancing Graph Transformers with Hierarchical Distance Structural Encoding Code
#6MFN (CGN)
0.063
MAE· 2023-10-16
Equivariant Matrix Function Neural Networks
#7GIN+
0.065
MAE· 2025-02-13
Unlocking the Potential of Classic GNNs for Graph-level Tasks: Simple Architectures Meet Excellence Code
#8B-PEARL
0.0655
MAE
No paperCode
#9PDF
0.066
MAE· 2023-05-10
Towards Better Graph Representation Learning with Parameterized Decomposition & Filtering Code
#10R-PEARL
0.0696
MAE
No paperCode
#11Spec-GNSOTA
0.0698
MAE· 2021-12-14
A New Perspective on the Effects of Spectrum in Graph Neural Networks Code
#12GPS
0.07
MAE· 2022-05-25
Recipe for a General, Powerful, Scalable Graph Transformer Code
#13SAGNN
0.072
MAE
No paperCode
#14GPTrans-Nano
0.077
MAE· 2023-05-19
Graph Propagation Transformer for Graph Representation Learning Code
#15CINSOTA
0.079
MAE· 2021-06-23
Weisfeiler and Lehman Go Cellular: CW Networks Code
#16PNA-SignNet
0.084
MAE· 2022-02-25
Sign and Basis Invariant Networks for Spectral Graph Representation Learning Code
#17CRaWl+VNSOTA
0.088
MAE· 2021-02-17
Walking Out of the Weisfeiler Leman Hierarchy: Graph Learning Beyond Message Passing Code
#18GatedGCN-LSPE
0.09
MAE· 2021-10-15
Graph Neural Networks with Learnable Structural and Positional Representations Code
#19CIN-small
0.094
MAE· 2021-06-23
Weisfeiler and Lehman Go Cellular: CW Networks Code
#20PNA-LSPE
0.095
MAE· 2021-10-15
Graph Neural Networks with Learnable Structural and Positional Representations Code
#21CRaWl
0.101
MAE· 2021-02-17
Walking Out of the Weisfeiler Leman Hierarchy: Graph Learning Beyond Message Passing Code
#22GSNSOTA
0.101
MAE· 2020-06-16
Improving Graph Neural Network Expressivity via Subgraph Isomorphism Counting Code
#23SAN-LSPE
0.104
MAE· 2021-10-15
Graph Neural Networks with Learnable Structural and Positional Representations Code
#24EGT
0.108
MAE· 2021-08-07
Global Self-Attention as a Replacement for Graph Convolution Code
#25Graphormer-SLIM
0.122
MAE· 2021-06-09
Do Transformers Really Perform Bad for Graph Representation?Code
#26MPNN (sum)SOTA
0.145
MAE· 2017-04-04
Neural Message Passing for Quantum Chemistry Code
#27GatedGCN-PE
0.214
MAE· 2020-03-02
Benchmarking Graph Neural Networks Code
#28GatedGCN-E-PE
0.214
MAE· 2020-03-02
Benchmarking Graph Neural Networks Code
#29MPNN (max)SOTA
0.252
MAE· 2017-04-04
Neural Message Passing for Quantum Chemistry Code
#30GatedGCN
0.282
MAE· 2017-11-20
Residual Gated Graph ConvNets Code
#31MoNetSOTA
0.292
MAE· 2016-11-25
Geometric deep learning on graphs and manifolds using mixture model CNNs Code
#323WLGNN
0.303
MAE· 2019-05-27
Provably Powerful Graph Networks Code
#33RingGNN
0.353
MAE· 2019-05-29
On the equivalence between graph isomorphism testing and function approximation with GNNs Code
#34GraphSage
0.398
MAE· 2017-06-07
Inductive Representation Learning on Large Graphs Code
#35GIN
0.526
MAE· 2018-10-01
How Powerful are Graph Neural Networks?Code
#36CKGCN
5.9
MAE· 2024-04-21
CKGConv: General Graph Convolution with Continuous Kernels Code