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 51–75 of 145 papers

Title	Date	Tasks	Status	Hype	Score
MEGAN: Multi-Explanation Graph Attention Network	Nov 23, 2022	Explainable artificial intelligenceGraph Attention	CodeCode Available	1	5
Multi-Mask Aggregators for Graph Neural Networks	Nov 24, 2022	BenchmarkingGraph Regression	CodeCode Available	1	5
Multiresolution Graph Transformers and Wavelet Positional Encoding for Learning Hierarchical Structures	Feb 17, 2023	Graph ClassificationGraph Learning	CodeCode Available	1	5
Beyond Message Passing: Neural Graph Pattern Machine	Jan 30, 2025	Graph ClassificationGraph Learning	CodeCode Available	1	5
Neural Message Passing for Quantum Chemistry	Apr 4, 2017	Drug DiscoveryFormation Energy	CodeCode Available	1	5
OGB-LSC: A Large-Scale Challenge for Machine Learning on Graphs	Mar 17, 2021	BIG-bench Machine LearningGraph Learning	CodeCode Available	1	5
O-GNN: Incorporating Ring Priors into Molecular Modeling	May 1, 2023	Drug DesignGraph Regression	CodeCode Available	1	5
On the Connection Between MPNN and Graph Transformer	Jan 27, 2023	Graph ClassificationGraph Learning	CodeCode Available	1	5
Optimal Transport Graph Neural Networks	Jun 8, 2020	Drug DiscoveryGraph Neural Network	CodeCode Available	1	5
PANDA: Expanded Width-Aware Message Passing Beyond Rewiring	Jun 6, 2024	Graph ClassificationGraph Neural Network	CodeCode Available	1	5
Path Integral Based Convolution and Pooling for Graph Neural Networks	Jun 29, 2020	Graph ClassificationGraph Regression	CodeCode Available	1	5
Path Neural Networks: Expressive and Accurate Graph Neural Networks	Jun 9, 2023	Graph ClassificationGraph Regression	CodeCode Available	1	5
Physics-informed neural networks for corrosion-fatigue prognosis	Sep 22, 2019	Graph RegressionGraph-to-Sequence	CodeCode Available	1	5
Pre-training Graph Neural Networks on Molecules by Using Subgraph-Conditioned Graph Information Bottleneck	Feb 20, 2025	Graph ClassificationGraph Neural Network	CodeCode Available	1	5
Principal Neighbourhood Aggregation for Graph Nets	Apr 12, 2020	Graph ClassificationGraph Regression	CodeCode Available	1	5
Pure Transformers are Powerful Graph Learners	Jul 6, 2022	Graph ClassificationGraph Learning	CodeCode Available	1	5
Self-Attention in Colors: Another Take on Encoding Graph Structure in Transformers	Apr 21, 2023	Graph Regression	CodeCode Available	1	5
Semi-Supervised Classification with Graph Convolutional Networks	Sep 9, 2016	Document ClassificationDrug Discovery	CodeCode Available	1	5
Semi-Supervised Graph Imbalanced Regression	May 20, 2023	Graph Regressionregression	CodeCode Available	1	5
Sign and Basis Invariant Networks for Spectral Graph Representation Learning	Feb 25, 2022	Graph RegressionGraph Representation Learning	CodeCode Available	1	5
Simple and Deep Graph Convolutional Networks	Jul 4, 2020	Graph ClassificationGraph Regression	CodeCode Available	1	5
Simplifying Graph Convolutional Networks	Feb 19, 2019	Graph RegressionImage Classification	CodeCode Available	1	5
Spatio-Spectral Graph Neural Networks	May 29, 2024	GPUGraph Classification	CodeCode Available	1	5
Substructure Aware Graph Neural Networks	Jun 26, 2023	Graph LearningGraph Regression	CodeCode Available	1	5
The Information Pathways Hypothesis: Transformers are Dynamic Self-Ensembles	Jun 2, 2023	Graph LearningGraph Regression	CodeCode Available	1	5

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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-PE	MAE	0.21	—	Unverified
10	GatedGCN-E-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	Logistic Regression	AUC@80%Train	0.71	—	Unverified
3	Random Forest	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