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 51–100 of 145 papers

Title	Date	Tasks	Status	Hype
Path Neural Networks: Expressive and Accurate Graph Neural Networks	Jun 9, 2023	Graph ClassificationGraph Regression	CodeCode Available	1
CIN++: Enhancing Topological Message Passing	Jun 6, 2023	Graph ClassificationGraph Regression	CodeCode Available	1
Extending the Design Space of Graph Neural Networks by Rethinking Folklore Weisfeiler-Lehman	Jun 5, 2023	Graph Regression	CodeCode Available	0
Learning Probabilistic Symmetrization for Architecture Agnostic Equivariance	Jun 5, 2023	Graph ClassificationGraph Regression	CodeCode Available	1
The Information Pathways Hypothesis: Transformers are Dynamic Self-Ensembles	Jun 2, 2023	Graph LearningGraph Regression	CodeCode Available	1
Graph Inductive Biases in Transformers without Message Passing	May 27, 2023	Graph ClassificationGraph Regression	CodeCode Available	1
Semi-Supervised Graph Imbalanced Regression	May 20, 2023	Graph Regressionregression	CodeCode Available	1
Graph Propagation Transformer for Graph Representation Learning	May 19, 2023	Graph LearningGraph Property Prediction	CodeCode Available	1
DRew: Dynamically Rewired Message Passing with Delay	May 13, 2023	Graph ClassificationGraph Regression	CodeCode Available	1
Towards Better Graph Representation Learning with Parameterized Decomposition & Filtering	May 10, 2023	Computational EfficiencyGraph Learning	CodeCode Available	1
O-GNN: Incorporating Ring Priors into Molecular Modeling	May 1, 2023	Drug DesignGraph Regression	CodeCode Available	1
Self-Attention in Colors: Another Take on Encoding Graph Structure in Transformers	Apr 21, 2023	Graph Regression	CodeCode Available	1
Highly Accurate Quantum Chemical Property Prediction with Uni-Mol+	Mar 16, 2023	BenchmarkingGraph Regression	CodeCode Available	3
Exphormer: Sparse Transformers for Graphs	Mar 10, 2023	Graph ClassificationGraph Learning	CodeCode Available	1
Diffusing Graph Attention	Mar 1, 2023	Graph AttentionGraph Classification	—Unverified	0
Multiresolution Graph Transformers and Wavelet Positional Encoding for Learning Hierarchical Structures	Feb 17, 2023	Graph ClassificationGraph Learning	CodeCode Available	1
On the Connection Between MPNN and Graph Transformer	Jan 27, 2023	Graph ClassificationGraph Learning	CodeCode Available	1
A Generalization of ViT/MLP-Mixer to Graphs	Dec 27, 2022	Graph ClassificationGraph Regression	CodeCode Available	1
Coordinating Cross-modal Distillation for Molecular Property Prediction	Nov 30, 2022	Graph RegressionGraph Representation Learning	—Unverified	0
Multi-Mask Aggregators for Graph Neural Networks	Nov 24, 2022	BenchmarkingGraph Regression	CodeCode Available	1
MEGAN: Multi-Explanation Graph Attention Network	Nov 23, 2022	Explainable artificial intelligenceGraph Attention	CodeCode Available	1
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	0
ProGReST: Prototypical Graph Regression Soft Trees for Molecular Property Prediction	Oct 7, 2022	Graph RegressionMolecular Property Prediction	CodeCode Available	0
One Transformer Can Understand Both 2D & 3D Molecular Data	Oct 4, 2022	Graph Regressionmolecular representation	CodeCode Available	2
Second-Order Global Attention Networks for Graph Classification and Regression	Aug 27, 2022	ClassificationGraph Classification	CodeCode Available	0
GEM-2: Next Generation Molecular Property Prediction Network by Modeling Full-range Many-body Interactions	Aug 11, 2022	Computational chemistryDrug Discovery	CodeCode Available	0
TREE-G: Decision Trees Contesting Graph Neural Networks	Jul 6, 2022	Graph ClassificationGraph Learning	CodeCode Available	1
Pure Transformers are Powerful Graph Learners	Jul 6, 2022	Graph ClassificationGraph Learning	CodeCode Available	1
Affinity-Aware Graph Networks	Jun 23, 2022	Graph Property PredictionGraph Regression	—Unverified	0
Long Range Graph Benchmark	Jun 16, 2022	BenchmarkingGraph Classification	CodeCode Available	1
Graph Rationalization with Environment-based Augmentations	Jun 6, 2022	Graph RegressionProperty Prediction	CodeCode Available	1
Automatic Relation-aware Graph Network Proliferation	May 31, 2022	Graph ClassificationGraph Learning	CodeCode Available	1
Recipe for a General, Powerful, Scalable Graph Transformer	May 25, 2022	Graph ClassificationGraph Property Prediction	CodeCode Available	2
Benchmarking Graphormer on Large-Scale Molecular Modeling Datasets	Mar 9, 2022	BenchmarkingGraph Regression	CodeCode Available	4
Sign and Basis Invariant Networks for Spectral Graph Representation Learning	Feb 25, 2022	Graph RegressionGraph Representation Learning	CodeCode Available	1
GRPE: Relative Positional Encoding for Graph Transformer	Jan 30, 2022	Graph ClassificationGraph Regression	CodeCode Available	1
A New Perspective on the Effects of Spectrum in Graph Neural Networks	Dec 14, 2021	Graph ClassificationGraph Property Prediction	CodeCode Available	1
DropGNN: Random Dropouts Increase the Expressiveness of Graph Neural Networks	Nov 11, 2021	Graph ClassificationGraph Regression	CodeCode Available	1
Transformers Generalize DeepSets and Can be Extended to Graphs and Hypergraphs	Oct 27, 2021	2kGraph Regression	CodeCode Available	1
Graph Neural Networks with Learnable Structural and Positional Representations	Oct 15, 2021	Graph RegressionKnowledge Graphs	CodeCode Available	1
SoGCN: Second-Order Graph Convolutional Networks	Oct 14, 2021	Graph ClassificationGraph Regression	CodeCode Available	0
Permute Me Softly: Learning Soft Permutations for Graph Representations	Oct 5, 2021	Graph ClassificationGraph Neural Network	CodeCode Available	0
Edge but not Least: Cross-View Graph Pooling	Sep 24, 2021	Graph ClassificationGraph Regression	—Unverified	0
Global Self-Attention as a Replacement for Graph Convolution	Aug 7, 2021	Edge ClassificationGraph Classification	CodeCode Available	1
Weisfeiler and Lehman Go Cellular: CW Networks	Jun 23, 2021	Graph ClassificationGraph Property Prediction	CodeCode Available	1
Do Transformers Really Perform Bad for Graph Representation?	Jun 9, 2021	Graph ClassificationGraph Property Prediction	CodeCode Available	2
How Attentive are Graph Attention Networks?	May 30, 2021	Graph AttentionGraph Classification	CodeCode Available	1
Transformers Generalize DeepSets and Can be Extended to Graphs & Hypergraphs	May 21, 2021	2kGraph Regression	CodeCode Available	1
Ranking Structured Objects with Graph Neural Networks	Apr 18, 2021	Graph RankingGraph Regression	CodeCode Available	0
OGB-LSC: A Large-Scale Challenge for Machine Learning on Graphs	Mar 17, 2021	BIG-bench Machine LearningGraph Learning	CodeCode Available	1

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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