Browse State-of-the-Art › Graph Classification

Graph Classification

483 papers with code · 73 benchmarks · 54 datasets archive 2025-07-28

Graphs

Graph Classification is a task that involves classifying a graph-structured data into different classes or categories. Graphs are a powerful way to represent relationships and interactions between different entities, and graph classification can be applied to a wide range of applications, such as social network analysis, bioinformatics, and recommendation systems. In graph classification, the input is a graph, and the goal is to learn a classifier that can accurately predict the class of the graph.

( Image credit: Hierarchical Graph Pooling with Structure Learning )

Description from the archive archive 2025-07-28.

Benchmarks archive 2025-07-28

73 leaderboard tables shown for this task, 73 with rows (a “benchmark” on this site is a table with at least one row, as on /sota), ordered by row count. “Best model” is the first row in the archive's own order at snapshot; nothing is re-ranked here and metric direction is not recorded in the archive. PwC's Trend sparklines are not in the archive, so that column is omitted. 10 shown of 73 until expanded.

DatasetBest model (first row in archive order)PaperCodeSyntologyCompare
PROTEINS (103 rows) HGP-SL Hierarchical Graph Pooling with Structure Learning code — Compare
MUTAG (74 rows) Evolution of Graph Classifiers Evolution of Graph Classifiers code — Compare
NCI1 (69 rows) TFGW ADJ (L=2) Template based Graph Neural Network with Optimal Transport Distances code — Compare
ENZYMES (54 rows) ESA (Edge set attention, no positional encodings) An end-to-end attention-based approach for learning on graphs code — Compare
D&D (53 rows) U2GNN (Unsupervised) Universal Graph Transformer Self-Attention Networks code Syntology ran 4 of 4 samples · 0 unverified Compare
IMDb-B (51 rows) U2GNN (Unsupervised) Universal Graph Transformer Self-Attention Networks code Syntology ran 4 of 4 samples · 0 unverified Compare
Peptides-func (44 rows) ESA + RWSE (Edge set attention, Random Walk Structural Encoding, + validation set) An end-to-end attention-based approach for learning on graphs code — Compare
COLLAB (39 rows) U2GNN (Unsupervised) Universal Graph Transformer Self-Attention Networks code Syntology ran 4 of 4 samples · 0 unverified Compare
NCI109 (38 rows) WKPI-kcenters Learning metrics for persistence-based summaries and applications... code — Compare
PTC (37 rows) U2GNN (Unsupervised) Universal Graph Transformer Self-Attention Networks code Syntology ran 4 of 4 samples · 0 unverified Compare
IMDb-M (36 rows) U2GNN (Unsupervised) Universal Graph Transformer Self-Attention Networks code Syntology ran 4 of 4 samples · 0 unverified Compare
CIFAR10 100k (20 rows) NeuralWalker Learning Long Range Dependencies on Graphs via Random Walks code Syntology ran 13 of 13 samples · 0 unverified Compare
MNIST (13 rows) ESA (Edge set attention, no positional encodings, tuned) An end-to-end attention-based approach for learning on graphs code — Compare
REDDIT-B (12 rows) CRaWl Walking Out of the Weisfeiler Leman Hierarchy: Graph Learning... code — Compare
REDDIT-BINARY (9 rows) R-GIN + PANDA PANDA: Expanded Width-Aware Message Passing Beyond Rewiring code Syntology ran 7 of 9 samples · 2 unverified Compare
IMDB-BINARY (8 rows) Local Topological Profile (LTP) Strengthening structural baselines for graph classification using... code — Compare
RE-M5K (8 rows) GIN-0 How Powerful are Graph Neural Networks? code Syntology ran 3 of 10 samples · 7 unverified Compare
UPFD-GOS (8 rows) UPFD-SAGE User Preference-aware Fake News Detection code Syntology ran 1 of 1 samples · 0 unverified Compare
UPFD-POL (8 rows) HGFND Nothing Stands Alone: Relational Fake News Detection with... code — Compare
BP-fMRI-97 (7 rows) IsoNN IsoNN: Isomorphic Neural Network for Graph Representation Learning... code — Compare
HIV-fMRI-77 (7 rows) IsoNN IsoNN: Isomorphic Neural Network for Graph Representation Learning... code — Compare
FRANKENSTEIN (6 rows) GWL_WL Graph Invariant Kernels — — Compare
HIV-DTI-77 (6 rows) IsoNN IsoNN: Isomorphic Neural Network for Graph Representation Learning... code — Compare
RE-M12K (6 rows) GFN-light Are Powerful Graph Neural Nets Necessary? A Dissection on Graph... code — Compare
HIV dataset (5 rows) CIN++ CIN++: Enhancing Topological Message Passing code — Compare
Mutagenicity (5 rows) TREE-G TREE-G: Decision Trees Contesting Graph Neural Networks code Syntology ran 0 of 10 samples · 10 unverified Compare
NEURON-Average (5 rows) WKPI-kcenters Learning metrics for persistence-based summaries and applications... code — Compare
NEURON-BINARY (5 rows) WKPI-kmeans Learning metrics for persistence-based summaries and applications... code — Compare
NEURON-MULTI (5 rows) WKPI-kcenters Learning metrics for persistence-based summaries and applications... code — Compare
MalNet-Tiny (4 rows) ESA (Edge set attention, no positional encodings) An end-to-end attention-based approach for learning on graphs code — Compare
BBBP (3 rows) G-Tuning Fine-tuning Graph Neural Networks by Preserving Graph Generative Patterns code Syntology ran 13 of 13 samples · 0 unverified Compare
COX2 (3 rows) GIN-0 How Powerful are Graph Neural Networks? code Syntology ran 3 of 10 samples · 7 unverified Compare
HIV (3 rows) GTOT-Tuning Fine-Tuning Graph Neural Networks via Graph Topology induced... code Syntology ran 0 of 2 samples · 2 unverified Compare
REDDIT-MULTI-12K (3 rows) GNN (DiffPool) Hierarchical Graph Representation Learning with Differentiable Pooling code Syntology ran 1 of 20 samples · 19 unverified Compare
Synthetic Dynamic Networks (3 rows) Time-cohort Dynamic Features + Static Features Learning the mechanisms of network growth code — Compare
Tox21 (3 rows) GMT Accurate Learning of Graph Representations with Graph Multiset Pooling code Syntology ran 4 of 5 samples · 1 unverified Compare
ToxCast (3 rows) GMT Accurate Learning of Graph Representations with Graph Multiset Pooling code Syntology ran 4 of 5 samples · 1 unverified Compare
AIDS (2 rows) FIT-GNN FIT-GNN: Faster Inference Time for GNNs Using Coarsening code — Compare
BACE (2 rows) G-Tuning Fine-tuning Graph Neural Networks by Preserving Graph Generative Patterns code Syntology ran 13 of 13 samples · 0 unverified Compare
clintox (2 rows) G-Tuning Fine-tuning Graph Neural Networks by Preserving Graph Generative Patterns code Syntology ran 13 of 13 samples · 0 unverified Compare
IPC-grounded (2 rows) GG-NN Gated Graph Sequence Neural Networks code Syntology ran 0 of 12 samples · 12 unverified Compare
IPC-lifted (2 rows) CNN IPC: A Benchmark Data Set for Learning with Graph-Structured Data code — Compare
MUV (2 rows) GTOT-Tuning Fine-Tuning Graph Neural Networks via Graph Topology induced... code Syntology ran 0 of 2 samples · 2 unverified Compare
SIDER (2 rows) GTOT-Tuning Fine-Tuning Graph Neural Networks via Graph Topology induced... code Syntology ran 0 of 2 samples · 2 unverified Compare
20NEWS (1 row) sKNN-LDS Mutual Information Maximization in Graph Neural Networks code — Compare
5pt. Bench-Easy (1 row) NDP Hierarchical Representation Learning in Graph Neural Networks with... code Syntology ran 1 of 1 samples · 0 unverified Compare
ADNI (1 row) NeuroPath NeuroPath: A Neural Pathway Transformer for Joining the Dots of... code Syntology ran 2 of 3 samples · 1 unverified Compare
Bench-hard (1 row) NDP Hierarchical Representation Learning in Graph Neural Networks with... code Syntology ran 1 of 1 samples · 0 unverified Compare
BZR (1 row) GDL-g (ADJ) Online Graph Dictionary Learning code — Compare
Cancer (1 row) sKNN-LDS Mutual Information Maximization in Graph Neural Networks code — Compare
CIFAR-10 (1 row) CKGCN CKGConv: General Graph Convolution with Continuous Kernels code Syntology ran 8 of 11 samples · 3 unverified Compare
Citeseer (1 row) sKNN-LDS Mutual Information Maximization in Graph Neural Networks code — Compare
COIL-RAG (1 row) SPI-GCN SPI-GCN: A Simple Permutation-Invariant Graph Convolutional Network — — Compare
Cora (1 row) sKNN-LDS Mutual Information Maximization in Graph Neural Networks code — Compare
CSL (1 row) CIN Weisfeiler and Lehman Go Cellular: CW Networks code — Compare
Digits (1 row) sKNN-LDS Mutual Information Maximization in Graph Neural Networks code — Compare
HCP Aging (1 row) NeuroPath NeuroPath: A Neural Pathway Transformer for Joining the Dots of... code Syntology ran 2 of 3 samples · 1 unverified Compare
HIV-fMRI-77 (1 row) IsoNN IsoNN: Isomorphic Neural Network for Graph Representation Learning... code — Compare
HYDRIDES (1 row) SPI-GCN SPI-GCN: A Simple Permutation-Invariant Graph Convolutional Network — — Compare
IMDB-MULTI (1 row) Local Topological Profile (LTP) Strengthening structural baselines for graph classification using... code — Compare
MSRC-21 (per-class) (1 row) G-Tuning Fine-tuning Graph Neural Networks by Preserving Graph Generative Patterns code Syntology ran 13 of 13 samples · 0 unverified Compare
NC1 (1 row) EigenGCN-3 Graph Convolutional Networks with EigenPooling code — Compare
NCI-123 (1 row) GAM Graph Classification using Structural Attention code — Compare
NCI-83 (1 row) GAM Graph Classification using Structural Attention code — Compare
NCI33 (1 row) GAM Graph Classification using Structural Attention code — Compare
OASIS (1 row) NeuroPath NeuroPath: A Neural Pathway Transformer for Joining the Dots of... code Syntology ran 2 of 3 samples · 1 unverified Compare
Pubmed (1 row) Fea2Fea-s3 Fea2Fea: Exploring Structural Feature Correlations via Graph... code — Compare
REDDIT-12K (1 row) G-Tuning Fine-tuning Graph Neural Networks by Preserving Graph Generative Patterns code Syntology ran 13 of 13 samples · 0 unverified Compare
REDDIT-MULTI-5k (1 row) GraphSAGE A Fair Comparison of Graph Neural Networks for Graph Classification code — Compare
SYNTHIE (1 row) SPI-GCN SPI-GCN: A Simple Permutation-Invariant Graph Convolutional Network — — Compare
UK Biobank Brain MRI (1 row) NeuroPath NeuroPath: A Neural Pathway Transformer for Joining the Dots of... code Syntology ran 2 of 3 samples · 1 unverified Compare
Web (1 row) UGraphEmb-F Unsupervised Inductive Graph-Level Representation Learning via... code — Compare
Wine (1 row) sKNN-LDS Mutual Information Maximization in Graph Neural Networks code — Compare

Syntology column: samples harvested from the paper's repositories and executed on synthesized fixtures; “ran” is not a correctness claim and does not order the table. A dash means no Syntology record for that paper, not a recorded non-run. Read from the graph 2026-09-24.

Libraries

Not in the archive: the export carries no per-task library table, so there is nothing to show at snapshot 2025-07-28.

Datasets archive 2025-07-28

54 datasets whose archive record lists this task, ordered by the archive's paper count. 30 shown of 54 until expanded.

Subtasks archive 2025-07-28

3 subtasks in the archive's task tree.

Parent tasks archive 2025-07-28

Most implemented papers archive 2025-07-28

30 shown of 483 papers with code (927 tagged with this task in all), ordered by repositories listed in the archive, not by stars (the archive holds no stars, so PwC's “Social” and “Latest” sorts cannot be reproduced). Papers without a page here are shown as plain text.

  • 30 Oct 2017 93 repositories listed Syntology ran 50 of 106 samples · 56 unverified · 43 pointer-only (licence)
    We present graph attention networks (GATs), novel neural network architectures that operate on graph-structured data, leveraging masked self-attentional layers to address the shortcomings of prior methods based on graph…
  • 9 Sep 2016 55 repositories listed Syntology ran 31 of 58 samples · 27 unverified · 22 pointer-only (licence)
    We present a scalable approach for semi-supervised learning on graph-structured data that is based on an efficient variant of convolutional neural networks which operate directly on graphs.
  • 17 Mar 2017 27 repositories listed Syntology ran 10 of 32 samples · 22 unverified · 15 pointer-only (licence)
    We demonstrate the effectiveness of R-GCNs as a stand-alone model for entity classification.
  • 1 Dec 2012 23 repositories listed
    We trained a large, deep convolutional neural network to classify the 1.
  • 7 Jun 2017 20 repositories listed Syntology ran 3 of 5 samples · 2 unverified · 5 pointer-only (licence)
    Low-dimensional embeddings of nodes in large graphs have proved extremely useful in a variety of prediction tasks, from content recommendation to identifying protein functions.
  • 1 Oct 2018 19 repositories listed Syntology ran 3 of 10 samples · 7 unverified · 5 pointer-only (licence)
    Here, we present a theoretical framework for analyzing the expressive power of GNNs to capture different graph structures.
  • 6 Feb 2020 18 repositories listed Syntology ran 2 of 7 samples · 5 unverified · 2 pointer-only (licence)
    We propose a new model named LightGCN, including only the most essential component in GCN -- neighborhood aggregation -- for collaborative filtering.
  • 2 Mar 2020 15 repositories listed Syntology ran 1 of 23 samples · 22 unverified
    In the last few years, graph neural networks (GNNs) have become the standard toolkit for analyzing and learning from data on graphs.
  • 22 Jun 2018 14 repositories listed Syntology ran 1 of 20 samples · 19 unverified
    Recently, graph neural networks (GNNs) have revolutionized the field of graph representation learning through effectively learned node embeddings, and achieved state-of-the-art results in tasks such as node…
  • 17 Nov 2015 13 repositories listed Syntology ran 0 of 12 samples · 12 unverified
    Graph-structured data appears frequently in domains including chemistry, natural language semantics, social networks, and knowledge bases.
  • 10 Mar 2019 12 repositories listed Syntology ran 1 of 22 samples · 21 unverified
    We formulate GNNExplainer as an optimization task that maximizes the mutual information between a GNN's prediction and distribution of possible subgraph structures.
  • 29 May 2019 11 repositories listed Syntology ran 10 of 14 samples · 4 unverified · 2 pointer-only (licence)
    Many applications of machine learning require a model to make accurate pre-dictions on test examples that are distributionally different from training ones, while task-specific labels are scarce during training.
  • 30 May 2021 8 repositories listed Syntology ran 6 of 16 samples · 10 unverified · 1 pointer-only (licence)
    Because GATs use a static attention mechanism, there are simple graph problems that GAT cannot express: in a controlled problem, we show that static attention hinders GAT from even fitting the training data.
  • 12 Apr 2020 8 repositories listed Syntology ran 33 of 55 samples · 22 unverified · 48 pointer-only (licence)
    Graph Neural Networks (GNNs) have been shown to be effective models for different predictive tasks on graph-structured data.
  • 6 Mar 2019 6 repositories listed Syntology ran 0 of 2 samples · 2 unverified
    We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch.
  • 17 Jul 2017 6 repositories listed Syntology ran 2 of 2 samples · 0 unverified · 2 pointer-only (licence)
    Recent works on representation learning for graph structured data predominantly focus on learning distributed representations of graph substructures such as nodes and subgraphs.
  • 1 Jun 2016 6 repositories listed
    Therefore, how to find a method that is able to effectively capture the highly non-linear network structure and preserve the global and local structure is an open yet important problem.
  • 9 Jun 2021 5 repositories listed
    Our key insight to utilizing Transformer in the graph is the necessity of effectively encoding the structural information of a graph into the model.
  • 10 Jun 2020 5 repositories listed Syntology ran 16 of 22 samples · 6 unverified · 9 pointer-only (licence)
    We achieve new state-of-the-art results in self-supervised learning on 8 out of 8 node and graph classification benchmarks under the linear evaluation protocol.
  • 20 Dec 2019 5 repositories listed
    We believe that this work can contribute to the development of the graph learning field, by providing a much needed grounding for rigorous evaluations of graph classification models.
  • 31 Jul 2019 5 repositories listed
    There are also some recent methods based on language models (e.
  • 24 Nov 2017 5 repositories listed
    We present Spline-based Convolutional Neural Networks (SplineCNNs), a variant of deep neural networks for irregular structured and geometric input, e.
  • 29 Jan 2025 4 repositories listed
    We study the effectiveness of molecular fingerprints for peptide property prediction and demonstrate that domain-specific feature extraction from molecular graphs can outperform complex and computationally expensive…
  • 14 Feb 2023 4 repositories listed Syntology ran 8 of 13 samples · 5 unverified · 3 pointer-only (licence)
    Our work combines aspects of three promising paradigms in machine learning, namely, attention mechanism, energy-based models, and associative memory.
  • 25 May 2022 4 repositories listed Syntology ran 3 of 21 samples · 18 unverified
    We propose a recipe on how to build a general, powerful, scalable (GPS) graph Transformer with linear complexity and state-of-the-art results on a diverse set of benchmarks.
  • 9 Nov 2020 4 repositories listed Syntology ran 3 of 8 samples · 5 unverified · 8 pointer-only (licence)
    The unique explanation interpreting each instance independently is not sufficient to provide a global understanding of the learned GNN model, leading to a lack of generalizability and hindering it from being used in the…
  • 2 Aug 2020 4 repositories listed
    To make the best out of feature interactions, we propose a graph neural network approach to effectively model them, together with a novel technique to automatically detect those feature interactions that are beneficial…
  • 4 Jul 2020 4 repositories listed Syntology ran 5 of 7 samples · 2 unverified · 4 pointer-only (licence)
    We propose the GCNII, an extension of the vanilla GCN model with two simple yet effective techniques: {\em Initial residual} and {\em Identity mapping}.
  • 17 Jun 2020 4 repositories listed Syntology ran 0 of 2 samples · 2 unverified
    Graph representation learning has emerged as a powerful technique for addressing real-world problems.
  • 8 Nov 2019 4 repositories listed Syntology ran 2 of 6 samples · 4 unverified · 3 pointer-only (licence)
    Multi-relational graphs are a more general and prevalent form of graphs where each edge has a label and direction associated with it.

Syntology lines on 22 of the papers shown; no Syntology record for the others (a paper without an arXiv id cannot be joined to the graph, and absence from the graph layer is not a recorded non-run). “Ran” means the sample executed on a synthesized fixture, not that the paper's result was reproduced. Read from the graph 2026-09-24.

Report a problem or propose a change · a person checks every report against the paper or source before anything changes; decisions are listed on /corrections