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 101–145 of 145 papers

Title	Date	Tasks	Status
Weisfeiler and Lehman Go Paths: Learning Topological Features via Path Complexes	Aug 13, 2023	Graph ClassificationGraph Property Prediction	—Unverified
Advancing Fluid-Based Thermal Management Systems Design: Leveraging Graph Neural Networks for Graph Regression and Efficient Enumeration Reduction	Nov 24, 2023	Graph Neural NetworkGraph Regression	—Unverified
Out-of-Distribution Generalized Dynamic Graph Neural Network for Human Albumin Prediction	Nov 27, 2023	Graph AttentionGraph Neural Network	—Unverified
Coordinating Cross-modal Distillation for Molecular Property Prediction	Nov 30, 2022	Graph RegressionGraph Representation Learning	—Unverified
CensNet: Convolution with Edge-Node Switching in Graph Neural Networks	Aug 10, 2019	Graph ClassificationGraph Embedding	—Unverified
Edge but not Least: Cross-View Graph Pooling	Sep 24, 2021	Graph ClassificationGraph Regression	—Unverified
Empowering Graph Representation Learning with Paired Training and Graph Co-Attention	Sep 25, 2019	Graph ClassificationGraph Neural Network	—Unverified
An ensemble of VisNet, Transformer-M, and pretraining models for molecular property prediction in OGB Large-Scale Challenge @ NeurIPS 2022	Nov 23, 2022	Graph Neural NetworkGraph Regression	—Unverified
Equivariant Matrix Function Neural Networks	Oct 16, 2023	Graph Regression	—Unverified
Sublinear Update Time Randomized Algorithms for Dynamic Graph Regression	May 28, 2019	Graph Regressionregression	—Unverified
A graph similarity for deep learning	Dec 1, 2020	Deep LearningGraph Classification	—Unverified
Conditional Local Feature Encoding for Graph Neural Networks	May 8, 2024	Graph ClassificationGraph Regression	—Unverified
SoGCN: Second-Order Graph Convolutional Networks	Oct 14, 2021	Graph ClassificationGraph Regression	CodeCode Available
Weisfeiler and Leman go sparse: Towards scalable higher-order graph embeddings	Apr 2, 2019	General ClassificationGraph Classification	CodeCode Available
Infinite Width Graph Neural Networks for Node Regression/ Classification	Oct 12, 2023	Gaussian ProcessesGraph Attention	CodeCode Available
Laplacian Canonization: A Minimalist Approach to Sign and Basis Invariant Spectral Embedding	Oct 28, 2023	Graph ClassificationGraph Embedding	CodeCode Available
A Canonicalization Perspective on Invariant and Equivariant Learning	May 28, 2024	Graph ClassificationGraph Embedding	CodeCode Available
Permute Me Softly: Learning Soft Permutations for Graph Representations	Oct 5, 2021	Graph ClassificationGraph Neural Network	CodeCode Available
TANGNN: a Concise, Scalable and Effective Graph Neural Networks with Top-m Attention Mechanism for Graph Representation Learning	Nov 23, 2024	Computational EfficiencyGraph Neural Network	CodeCode Available
Convolutional Networks on Graphs for Learning Molecular Fingerprints	Sep 30, 2015	Drug DiscoveryGraph Regression	CodeCode Available
Modeling Edge Features with Deep Bayesian Graph Networks	Aug 17, 2023	Graph ClassificationGraph Regression	CodeCode Available
Extending the Design Space of Graph Neural Networks by Rethinking Folklore Weisfeiler-Lehman	Jun 5, 2023	Graph Regression	CodeCode Available
Molecular Graph Convolutions: Moving Beyond Fingerprints	Mar 2, 2016	BIG-bench Machine LearningDrug Discovery	CodeCode Available
FIT-GNN: Faster Inference Time for GNNs Using Coarsening	Oct 19, 2024	ClassificationGraph Classification	CodeCode Available
Molecular Property Prediction: A Multilevel Quantum Interactions Modeling Perspective	Jun 25, 2019	Graph Neural NetworkGraph Regression	CodeCode Available
From Primes to Paths: Enabling Fast Multi-Relational Graph Analysis	Nov 17, 2024	Graph RegressionHeterogeneous Node Classification	CodeCode Available
Gaussian process regression with Sliced Wasserstein Weisfeiler-Lehman graph kernels	Feb 6, 2024	Graph ClassificationGraph Regression	CodeCode Available
GEM-2: Next Generation Molecular Property Prediction Network by Modeling Full-range Many-body Interactions	Aug 11, 2022	Computational chemistryDrug Discovery	CodeCode Available
Geometric deep learning on graphs and manifolds using mixture model CNNs	Nov 25, 2016	Deep LearningDocument Classification	CodeCode Available
GINTRIP: Interpretable Temporal Graph Regression using Information bottleneck and Prototype-based method	Sep 17, 2024	Graph RegressionMulti-Task Learning	CodeCode Available
Molecule Property Prediction Based on Spatial Graph Embedding	Aug 22, 2019	Drug DiscoveryGraph Embedding	CodeCode Available
ProGReST: Prototypical Graph Regression Soft Trees for Molecular Property Prediction	Oct 7, 2022	Graph RegressionMolecular Property Prediction	CodeCode Available
Provably Powerful Graph Networks	May 27, 2019	Graph ClassificationGraph Learning	CodeCode Available
Ranking Structured Objects with Graph Neural Networks	Apr 18, 2021	Graph RankingGraph Regression	CodeCode Available
Graph Neural Networks for Jamming Source Localization	Jun 1, 2025	feature selectiongraph construction	CodeCode Available
Attention-based Graph Neural Network for Semi-supervised Learning	Mar 10, 2018	Graph Neural NetworkGraph Regression	CodeCode Available
Graph Neural Networks with convolutional ARMA filters	Jan 5, 2019	ClassificationGeneral Classification	CodeCode Available
Next Level Message-Passing with Hierarchical Support Graphs	Jun 22, 2024	Graph ClassificationGraph Learning	CodeCode Available
RegExplainer: Generating Explanations for Graph Neural Networks in Regression Tasks	Jul 15, 2023	Contrastive LearningGraph Learning	CodeCode Available
Residual Gated Graph ConvNets	Nov 20, 2017	ClusteringGeneral Classification	CodeCode Available
An Experimental Study of the Transferability of Spectral Graph Networks	Dec 18, 2020	BenchmarkingGeneral Classification	CodeCode Available
On the equivalence between graph isomorphism testing and function approximation with GNNs	May 29, 2019	Graph RegressionIsomorphism Testing	CodeCode Available
HyperAggregation: Aggregating over Graph Edges with Hypernetworks	Jul 16, 2024	Graph ClassificationGraph Regression	CodeCode Available
Second-Order Global Attention Networks for Graph Classification and Regression	Aug 27, 2022	ClassificationGraph Classification	CodeCode Available
Improving Subgraph-GNNs via Edge-Level Ego-Network Encodings	Dec 10, 2023	Graph ClassificationGraph Regression	CodeCode Available

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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