Graph Regression

The regression task is similar to graph classification but using different loss function and performance metric.

Papers

Recently Added Most Hyped Most Active Needs Verification Most Verified

Showing 101–125 of 145 papers

Title	Date	Tasks	Status	Score
Next Level Message-Passing with Hierarchical Support Graphs	Jun 22, 2024	Graph ClassificationGraph Learning	CodeCode Available	5
RegExplainer: Generating Explanations for Graph Neural Networks in Regression Tasks	Jul 15, 2023	Contrastive LearningGraph Learning	CodeCode Available	5
Residual Gated Graph ConvNets	Nov 20, 2017	ClusteringGeneral Classification	CodeCode Available	5
An Experimental Study of the Transferability of Spectral Graph Networks	Dec 18, 2020	BenchmarkingGeneral Classification	CodeCode Available	5
On the equivalence between graph isomorphism testing and function approximation with GNNs	May 29, 2019	Graph RegressionIsomorphism Testing	CodeCode Available	5
HyperAggregation: Aggregating over Graph Edges with Hypernetworks	Jul 16, 2024	Graph ClassificationGraph Regression	CodeCode Available	5
Second-Order Global Attention Networks for Graph Classification and Regression	Aug 27, 2022	ClassificationGraph Classification	CodeCode Available	5
Improving Subgraph-GNNs via Edge-Level Ego-Network Encodings	Dec 10, 2023	Graph ClassificationGraph Regression	CodeCode Available	5
SoGCN: Second-Order Graph Convolutional Networks	Oct 14, 2021	Graph ClassificationGraph Regression	CodeCode Available	5
Weisfeiler and Leman go sparse: Towards scalable higher-order graph embeddings	Apr 2, 2019	General ClassificationGraph Classification	CodeCode Available	5
Infinite Width Graph Neural Networks for Node Regression/ Classification	Oct 12, 2023	Gaussian ProcessesGraph Attention	CodeCode Available	5
Laplacian Canonization: A Minimalist Approach to Sign and Basis Invariant Spectral Embedding	Oct 28, 2023	Graph ClassificationGraph Embedding	CodeCode Available	5
A Canonicalization Perspective on Invariant and Equivariant Learning	May 28, 2024	Graph ClassificationGraph Embedding	CodeCode Available	5
Permute Me Softly: Learning Soft Permutations for Graph Representations	Oct 5, 2021	Graph ClassificationGraph Neural Network	CodeCode Available	5
Modeling Edge Features with Deep Bayesian Graph Networks	Aug 17, 2023	Graph ClassificationGraph Regression	CodeCode Available	5
Extending the Design Space of Graph Neural Networks by Rethinking Folklore Weisfeiler-Lehman	Jun 5, 2023	Graph Regression	CodeCode Available	5
Molecular Graph Convolutions: Moving Beyond Fingerprints	Mar 2, 2016	BIG-bench Machine LearningDrug Discovery	CodeCode Available	5
FIT-GNN: Faster Inference Time for GNNs Using Coarsening	Oct 19, 2024	ClassificationGraph Classification	CodeCode Available	5
Coordinating Cross-modal Distillation for Molecular Property Prediction	Nov 30, 2022	Graph RegressionGraph Representation Learning	—Unverified	0
Degree-Quant: Quantization-Aware Training for Graph Neural Networks	Aug 11, 2020	CPUGraph Classification	—Unverified	0
Deriving Neural Architectures from Sequence and Graph Kernels	May 25, 2017	Graph RegressionLanguage Modeling	—Unverified	0
Power Spectrum Signatures of Graphs	Mar 12, 2025	DescriptiveGraph Regression	—Unverified	0
Diffusing Graph Attention	Mar 1, 2023	Graph AttentionGraph Classification	—Unverified	0
A Benchmark Dataset for Graph Regression with Homogeneous and Multi-Relational Variants	May 29, 2025	Graph Neural NetworkGraph Regression	—Unverified	0
Co-embedding of Nodes and Edges with Graph Neural Networks	Oct 25, 2020	BIG-bench Machine LearningGraph Classification	—Unverified	0

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All datasets ZINC-500k ZINC PCQM4Mv2-LSC Lipophilicity PCQM4M-LSC Peptides-struct ZINC 100k Tox21 ZINC-full ESOL QM9 QM9: del e

Benchmark Results

#	Model	Metric	Claimed	Verified	Status
1	CKGCN	MAE	5.9	—	Unverified
2	GIN	MAE	0.53	—	Unverified
3	GraphSage	MAE	0.4	—	Unverified
4	RingGNN	MAE	0.35	—	Unverified
5	3WLGNN	MAE	0.3	—	Unverified
6	MoNet	MAE	0.29	—	Unverified
7	GatedGCN	MAE	0.28	—	Unverified
8	MPNN (max)	MAE	0.25	—	Unverified
9	GatedGCN-E-PE	MAE	0.21	—	Unverified
10	GatedGCN-PE	MAE	0.21	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	Graph-JEPA	MAE	0.43	—	Unverified
2	FactorGCN	MAE	0.37	—	Unverified
3	ChebNet	MAE	0.36	—	Unverified
4	BoP	MAE	0.3	—	Unverified
5	MMA	MAE	0.16	—	Unverified
6	PNA	MAE	0.14	—	Unverified
7	CRaWl	MAE	0.1	—	Unverified
8	PIN	MAE	0.1	—	Unverified
9	CIN-small	MAE	0.09	—	Unverified
10	CIN++-small	MAE	0.09	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	MLP-Fingerprint	Validation MAE	0.18	—	Unverified
2	GCN	Validation MAE	0.14	—	Unverified
3	GIN	Validation MAE	0.12	—	Unverified
4	TokenGT	Validation MAE	0.09	—	Unverified
5	EGT+SSA	Validation MAE	0.09	—	Unverified
6	GRPE-Large	Validation MAE	0.09	—	Unverified
7	EGT+SSA+Self-ensemble	Validation MAE	0.09	—	Unverified
8	Graphormer	Validation MAE	0.09	—	Unverified
9	Graphormer + GFSA	Validation MAE	0.09	—	Unverified
10	GRIT	Validation MAE	0.09	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	Random Forests	RMSE@80%Train	1.16	—	Unverified
2	Logistic Regression	RMSE@80%Train	1.15	—	Unverified
3	SGC	RMSE	1	—	Unverified
4	AGNN	RMSE	0.96	—	Unverified
5	GAT	RMSE	0.95	—	Unverified
6	CensNet	RMSE@80%Train	0.93	—	Unverified
7	ARMA	RMSE	0.89	—	Unverified
8	RF	RMSE	0.88	—	Unverified
9	XGBoost	RMSE	0.8	—	Unverified
10	MPNN	RMSE	0.72	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	MLP-fingerprint	Test MAE	20.68	—	Unverified
2	GCN	Test MAE	18.38	—	Unverified
3	GIN	Test MAE	16.78	—	Unverified
4	GCN-Virtual	Test MAE	15.79	—	Unverified
5	GIN-virtual	Test MAE	14.87	—	Unverified
6	Graphormer	Test MAE	13.28	—	Unverified
7	Higher-Order Transformer	Validation MAE	0.13	—	Unverified
8	EGT	Validation MAE	0.12	—	Unverified
9	Graphormer + GFSA	Validation MAE	0.12	—	Unverified
10	GPTrans-L	Validation MAE	0.12	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	EIGENFORMER	MAE	0.26	—	Unverified
2	ViT-PS	MAE	0.26	—	Unverified
3	CIN++-500k	MAE	0.25	—	Unverified
4	BoP	MAE	0.25	—	Unverified
5	TIGT	MAE	0.25	—	Unverified
6	CKGCN	MAE	0.25	—	Unverified
7	RDKit + LightGBM	MAE	0.25	—	Unverified
8	TT + LightGBM	MAE	0.24	—	Unverified
9	ECFP + LightGBM	MAE	0.24	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	GAT	MAE	0.46	—	Unverified
2	MoNet	MAE	0.41	—	Unverified
3	GatedGCN	MAE	0.36	—	Unverified
4	MPNN	MAE	0.29	—	Unverified
5	EGT	MAE	0.14	—	Unverified
6	ARGNP	MAE	0.14	—	Unverified
7	GSN	MAE	0.12	—	Unverified
8	CIN-small	MAE	0.09	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	CensNet	AUC@80%Train	0.78	—	Unverified
2	Random Forest	AUC@80%Train	0.71	—	Unverified
3	Logistic Regression	AUC@80%Train	0.71	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	GRIT	Test MAE	0.02	—	Unverified
2	TIGT	Test MAE	0.01	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	ProtoW-dot	RMSE	0.59	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	FIT-GNN	Inference Time (ms)	0	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	FIT-GNN	MAE	0.88	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	FIT-GNN	MAE	0.84	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	FIT-GNN	MAE	0.63	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	FIT-GNN	MAE	0.82	—	Unverified

#	Model	Metric	Claimed	Verified	Status
1	FIT-GNN	Inference Time (ms)	0	—	Unverified