GraKeL: A Graph Kernel Library in Python
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Abstract (arXiv)
The problem of accurately measuring the similarity between graphs is at the core of many applications in a variety of disciplines. Graph kernels have recently emerged as a promising approach to this problem. There are now many kernels, each focusing on different structural aspects of graphs. Here, we present GraKeL, a library that unifies several graph kernels into a common framework. The library is written in Python and adheres to the scikit-learn interface. It is simple to use and can be naturally combined with scikit-learn's modules to build a complete machine learning pipeline for tasks such as graph classification and clustering. The code is BSD licensed and is available at: https://github.com/ysig/GraKeL .
Key facts. Cited by 54 papers in the map (data through 7 Oct 2026). First posted on arXiv 6 Jun 2018.
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Citing papers per year: 2021: 7; 2022: 14; 2023: 7; 2024: 11; 2025: 10; 2026: 5.
54 papers.
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- 2023The Curious Decline of Linguistic Diversity: Training Language Models on Synthetic Textcited by 97
- 2022KerGNNs: Interpretable Graph Neural Networks with Graph Kernelscited by 50
- 2022On Evaluation Metrics for Graph Generative Modelscited by 44
- 2022GAUCHE: A Library for Gaussian Processes in Chemistrycited by 40
- 2021Online Graph Dictionary Learningcited by 37
- 2024Benchmarking Linguistic Diversity of Large Language Modelscited by 37
- 2023Inductive Graph Unlearningcited by 30
- 2024Do Large Language Models Have an English Accent? Evaluating and Improving the Naturalness of Multilingual LLMscited by 19
- 2023Deep Orthogonal Hypersphere Compression for Anomaly Detectioncited by 12
- 2021A Generalized Weisfeiler-Lehman Graph Kernelcited by 9
- 2021Graph Filtration Kernelscited by 8
- 2024Gaussian process regression with Sliced Wasserstein Weisfeiler-Lehman graph kernelscited by 7
38 more
- 2022Graph similarity learning for change-point detection in dynamic networkscited by 4
- 2022Metric Based Few-Shot Graph Classificationcited by 4
- 2025Subsampling Graphs with GNN Performance Guaranteescited by 4
- 2022Orthogonal Gromov-Wasserstein Discrepancy with Efficient Lower Boundcited by 3
- 2022TREE-G: Decision Trees Contesting Graph Neural Networkscited by 3
- 2022Closing the Loop: Graph Networks to Unify Semantic Objects and Visual Features for Multi-object Scenescited by 3
- 2023Deep Graph-Level Clustering Using Pseudo-Label-Guided Mutual Information Maximization Networkcited by 3
- 2024Leveraging Discourse Structure for Extractive Meeting Summarizationcited by 3
- 2025KEA Explain: Explanations of Hallucinations using Graph Kernel Analysiscited by 3
- 2022GENIUS: A Novel Solution for Subteam Replacement with Clustering-based Graph Neural Networkcited by 2
- 2023Pattern Mining for Anomaly Detection in Graphs: Application to Fraud in Public Procurementcited by 2
- 2024Deep Sketched Output Kernel Regression for Structured Predictioncited by 2
- 2025Evaluating machine learning models for predicting pesticide toxicity to honey beescited by 2
- 2025Learnable Kernel Density Estimation for Graphs and Its Application to Graph-Level Anomaly Detectioncited by 2
- 2025Global optimization of graph acquisition functions for neural architecture searchcited by 2
- 2021Bermuda Triangles: GNNs Fail to Detect Simple Topological Structurescited by 1
- 2021TrialGraph: Machine Intelligence Enabled Insight from Graph Modelling of Clinical Trialscited by 1
- 2022Multi-scale Wasserstein Shortest-path Graph Kernels for Graph Classificationcited by 1
- 2022Efficient multi-relational network representation using primescited by 1
- 2024Learning Attributed Graphlets: Predictive Graph Mining by Graphlets with Trainable Attributecited by 1
- 2024Exploring Consistency in Graph Representations:from Graph Kernels to Graph Neural Networkscited by 1
- 2025Metric Graph Kernels via the Tropical Torelli Mapcited by 1
- 2021GLAMOUR: Graph Learning over Macromolecule Representationscited by 0
- 2021Matching Models for Graph Retrievalcited by 0
- 2022Topological Classification in a Wasserstein Distance Based Vector Spacecited by 0
- 2022Similarity-aware Positive Instance Sampling for Graph Contrastive Pre-trainingcited by 0
- 2022Modeling the Social Influence of COVID-19 via Personalized Propagation with Deep Learningcited by 0
- 2023Weisfeiler and Leman Go Measurement Modeling: Probing the Validity of the WL Testcited by 0
- 2023Attacking the Loop: Adversarial Attacks on Graph-based Loop Closure Detectioncited by 0
- 2024Message Detouring: A Simple Yet Effective Cycle Representation for Expressive Graph Learningcited by 0
- 2024Multiple-Source Localization from a Single-Snapshot Observation Using Graph Bayesian Optimizationcited by 0
- 2024Imbalanced Graph Classification with Multi-scale Oversampling Graph Neural Networkscited by 0
- 2024Deep Hierarchical Graph Alignment Kernelscited by 0
- 2025Graph Learning via Logic-Based Weisfeiler-Leman Variants and Tabularizationcited by 0
- 2025Representing Classical Compositions through Implication-Realization Temporal-Gestalt Graphscited by 0
- 2025GraphToxin: Reconstructing Full Unlearned Graphs from Graph Unlearningcited by 0
- 2025Explainable Graph Representation Learning via Graph Pattern Analysiscited by 0
- 2026Diversity Curves for Graph Representation Learningcited by 0
50 most cited of 54 All 54 (JSON)
- 2026Can Circuit Alignment Predict OOD Generalization?25 Sep 2026
- 2026Measuring Graph-to-Graph Semantic Similarity in Knowledge Graphs: An Empirical Evaluation of Knowledge Graph Embeddings28 Jun 2026
- 2026Towards Feedback-to-Plan Decisions for Self-Evolving LLM Agents in CUDA Kernel Generation26 May 2026
- 2026From Token Lists to Graph Motifs: Weisfeiler-Lehman Analysis of Sparse Autoencoder Features7 May 2026
- 2026Diversity Curves for Graph Representation Learning7 May 2026
- 2025Explainable Graph Representation Learning via Graph Pattern Analysis4 Dec 2025
- 2025GraphToxin: Reconstructing Full Unlearned Graphs from Graph Unlearning14 Nov 2025
- 2025Representing Classical Compositions through Implication-Realization Temporal-Gestalt Graphs31 Oct 2025
- 2025Graph Learning via Logic-Based Weisfeiler-Leman Variants and Tabularization14 Aug 2025
- 2025KEA Explain: Explanations of Hallucinations using Graph Kernel Analysis5 Jul 2025
- 2025Global optimization of graph acquisition functions for neural architecture search29 May 2025
- 2025Learnable Kernel Density Estimation for Graphs and Its Application to Graph-Level Anomaly Detection27 May 2025
38 more
- 2025Metric Graph Kernels via the Tropical Torelli Map17 May 2025
- 2025Evaluating machine learning models for predicting pesticide toxicity to honey bees31 Mar 2025
- 2025Subsampling Graphs with GNN Performance Guarantees23 Feb 2025
- 2024Benchmarking Linguistic Diversity of Large Language Models13 Dec 2024
- 2024Exploring Consistency in Graph Representations:from Graph Kernels to Graph Neural Networks31 Oct 2024
- 2024Do Large Language Models Have an English Accent? Evaluating and Improving the Naturalness of Multilingual LLMs21 Oct 2024
- 2024Deep Sketched Output Kernel Regression for Structured Prediction13 Jun 2024
- 2024Leveraging Discourse Structure for Extractive Meeting Summarization17 May 2024
- 2024Deep Hierarchical Graph Alignment Kernels9 May 2024
- 2024Imbalanced Graph Classification with Multi-scale Oversampling Graph Neural Networks8 May 2024
- 2024Multiple-Source Localization from a Single-Snapshot Observation Using Graph Bayesian Optimization25 Mar 2024
- 2024Message Detouring: A Simple Yet Effective Cycle Representation for Expressive Graph Learning12 Feb 2024
- 2024Learning Attributed Graphlets: Predictive Graph Mining by Graphlets with Trainable Attribute10 Feb 2024
- 2024Gaussian process regression with Sliced Wasserstein Weisfeiler-Lehman graph kernels6 Feb 2024
- 2023Attacking the Loop: Adversarial Attacks on Graph-based Loop Closure Detection12 Dec 2023
- 2023The Curious Decline of Linguistic Diversity: Training Language Models on Synthetic Text16 Nov 2023
- 2023Weisfeiler and Leman Go Measurement Modeling: Probing the Validity of the WL Test11 Jul 2023
- 2023Pattern Mining for Anomaly Detection in Graphs: Application to Fraud in Public Procurement19 Jun 2023
- 2023Inductive Graph Unlearning6 Apr 2023
- 2023Deep Orthogonal Hypersphere Compression for Anomaly Detection13 Feb 2023
- 2023Deep Graph-Level Clustering Using Pseudo-Label-Guided Mutual Information Maximization Network5 Feb 2023
- 2022GAUCHE: A Library for Gaussian Processes in Chemistry6 Dec 2022
- 2022GENIUS: A Novel Solution for Subteam Replacement with Clustering-based Graph Neural Network8 Nov 2022
- 2022Closing the Loop: Graph Networks to Unify Semantic Objects and Visual Features for Multi-object Scenes24 Sep 2022
- 2022Efficient multi-relational network representation using primes14 Sep 2022
- 2022Modeling the Social Influence of COVID-19 via Personalized Propagation with Deep Learning26 Jul 2022
- 2022TREE-G: Decision Trees Contesting Graph Neural Networks6 Jul 2022
- 2022Similarity-aware Positive Instance Sampling for Graph Contrastive Pre-training23 Jun 2022
- 2022Metric Based Few-Shot Graph Classification8 Jun 2022
- 2022Multi-scale Wasserstein Shortest-path Graph Kernels for Graph Classification2 Jun 2022
- 2022Orthogonal Gromov-Wasserstein Discrepancy with Efficient Lower Bound12 May 2022
- 2022Graph similarity learning for change-point detection in dynamic networks29 Mar 2022
- 2022Topological Classification in a Wasserstein Distance Based Vector Space2 Feb 2022
- 2022On Evaluation Metrics for Graph Generative Models24 Jan 2022
- 2022KerGNNs: Interpretable Graph Neural Networks with Graph Kernels3 Jan 2022
- 2021TrialGraph: Machine Intelligence Enabled Insight from Graph Modelling of Clinical Trials15 Dec 2021
- 2021Graph Filtration Kernels22 Oct 2021
- 2021Matching Models for Graph Retrieval3 Oct 2021
50 newest of 54 All 54 (JSON)
- 2023Inductive Graph Unlearningcited by 30
- 2025GraphToxin: Reconstructing Full Unlearned Graphs from Graph Unlearningcited by 0
- 2025GraphToxin: Reconstructing Full Unlearned Graphs from Graph Unlearning14 Nov 2025
- 2023Inductive Graph Unlearning6 Apr 2023
- 2023The Curious Decline of Linguistic Diversity: Training Language Models on Synthetic Textcited by 97
- 2022KerGNNs: Interpretable Graph Neural Networks with Graph Kernelscited by 50
- 2022On Evaluation Metrics for Graph Generative Modelscited by 44
- 2022GAUCHE: A Library for Gaussian Processes in Chemistrycited by 40
- 2021Online Graph Dictionary Learningcited by 37
- 2024Benchmarking Linguistic Diversity of Large Language Modelscited by 37
- 2024Do Large Language Models Have an English Accent? Evaluating and Improving the Naturalness of Multilingual LLMscited by 19
- 2023Deep Orthogonal Hypersphere Compression for Anomaly Detectioncited by 12
- 2021A Generalized Weisfeiler-Lehman Graph Kernelcited by 9
- 2021Graph Filtration Kernelscited by 8
- 2024Gaussian process regression with Sliced Wasserstein Weisfeiler-Lehman graph kernelscited by 7
- 2022Graph similarity learning for change-point detection in dynamic networkscited by 4
12 most cited of 50 All 50 (JSON)
- 2026Can Circuit Alignment Predict OOD Generalization?25 Sep 2026
- 2026Measuring Graph-to-Graph Semantic Similarity in Knowledge Graphs: An Empirical Evaluation of Knowledge Graph Embeddings28 Jun 2026
- 2026From Token Lists to Graph Motifs: Weisfeiler-Lehman Analysis of Sparse Autoencoder Features7 May 2026
- 2026Diversity Curves for Graph Representation Learning7 May 2026
- 2025Explainable Graph Representation Learning via Graph Pattern Analysis4 Dec 2025
- 2025Representing Classical Compositions through Implication-Realization Temporal-Gestalt Graphs31 Oct 2025
- 2025Graph Learning via Logic-Based Weisfeiler-Leman Variants and Tabularization14 Aug 2025
- 2025KEA Explain: Explanations of Hallucinations using Graph Kernel Analysis5 Jul 2025
- 2025Global optimization of graph acquisition functions for neural architecture search29 May 2025
- 2025Learnable Kernel Density Estimation for Graphs and Its Application to Graph-Level Anomaly Detection27 May 2025
- 2025Metric Graph Kernels via the Tropical Torelli Map17 May 2025
- 2025Evaluating machine learning models for predicting pesticide toxicity to honey bees31 Mar 2025
12 newest of 50 All 50 (JSON)