Neural Subgraph Matching

Subgraph matching is the problem of determining the presence and location(s) of a given query graph in a large target graph. Despite being an NP-complete problem, the subgraph matching problem is crucial in domains ranging from network science and database systems to biochemistry and cognitive science. However, existing techniques based on combinatorial matching and integer programming cannot handle matching problems with both large target and query graphs. Here we propose NeuroMatch, an accurate, efficient, and robust neural approach to subgraph matching. NeuroMatch decomposes query and target graphs into small subgraphs and embeds them using graph neural networks. Trained to capture geometric constraints corresponding to subgraph relations, NeuroMatch then efficiently performs subgraph matching directly in the embedding space. Experiments demonstrate NeuroMatch is 100x faster than existing combinatorial approaches and 18% more accurate than existing approximate subgraph matching methods.

[1]  Shinji Umeyama,et al.  An Eigendecomposition Approach to Weighted Graph Matching Problems , 1988, IEEE Trans. Pattern Anal. Mach. Intell..

[2]  Xiang Li,et al.  Probabilistic Embedding of Knowledge Graphs with Box Lattice Measures , 2018, ACL.

[3]  Dennis Shasha,et al.  A subgraph isomorphism algorithm and its application to biochemical data , 2013, BMC Bioinformatics.

[4]  Antonio Criminisi,et al.  Object categorization by learned universal visual dictionary , 2005, Tenth IEEE International Conference on Computer Vision (ICCV'05) Volume 1.

[5]  Jure Leskovec,et al.  How Powerful are Graph Neural Networks? , 2018, ICLR.

[6]  Li Fei-Fei,et al.  Neural Graph Matching Networks for Fewshot 3D Action Recognition , 2018, ECCV.

[7]  Joan Bruna,et al.  On the equivalence between graph isomorphism testing and function approximation with GNNs , 2019, NeurIPS.

[8]  Yansong Feng,et al.  Cross-lingual Knowledge Graph Alignment via Graph Matching Neural Network , 2019, ACL.

[9]  Yao Lu,et al.  A fast projected fixed-point algorithm for large graph matching , 2012, Pattern Recognit..

[10]  Martin Grohe,et al.  Weisfeiler and Leman Go Neural: Higher-order Graph Neural Networks , 2018, AAAI.

[11]  Noga Alon,et al.  Biomolecular network motif counting and discovery by color coding , 2008, ISMB.

[12]  P Eric,et al.  Concept Mapping: a Graphical System for Understanding the Relationship Between Concepts , 1997 .

[13]  Le Song,et al.  Retrosynthesis Prediction with Conditional Graph Logic Network , 2020, NeurIPS.

[14]  Sherry Marcus,et al.  Graph-based technologies for intelligence analysis , 2004, CACM.

[15]  Max Welling,et al.  Semi-Supervised Classification with Graph Convolutional Networks , 2016, ICLR.

[16]  Nils M. Kriege,et al.  Deep Graph Matching Consensus , 2020, ICLR.

[17]  Gert R. G. Lanckriet,et al.  Partial order embedding with multiple kernels , 2009, ICML '09.

[18]  Peter Willett,et al.  Heuristics for Similarity Searching of Chemical Graphs Using a Maximum Common Edge Subgraph Algorithm , 2002, J. Chem. Inf. Comput. Sci..

[19]  Amit P. Sheth,et al.  Template Based Semantic Similarity for Security Applications , 2005, ISI.

[20]  Dedre Gentner,et al.  Structure-Mapping: A Theoretical Framework for Analogy , 1983, Cogn. Sci..

[21]  Mario Vento,et al.  A (sub)graph isomorphism algorithm for matching large graphs , 2004, IEEE Transactions on Pattern Analysis and Machine Intelligence.

[22]  Yuting Wu,et al.  Relation-Aware Entity Alignment for Heterogeneous Knowledge Graphs , 2019, IJCAI.

[23]  E. Plotnick Concept Mapping: A Graphical System for Understanding the Relationship between Concepts. ERIC Digest. , 1997 .

[24]  Julian R. Ullmann,et al.  An Algorithm for Subgraph Isomorphism , 1976, J. ACM.

[25]  Wee Sun Lee,et al.  Deep Graphical Feature Learning for the Feature Matching Problem , 2019, 2019 IEEE/CVF International Conference on Computer Vision (ICCV).

[26]  Albert,et al.  Topology of evolving networks: local events and universality , 2000, Physical review letters.

[27]  Yinghui Wu,et al.  Mining Summaries for Knowledge Graph Search , 2018, IEEE Transactions on Knowledge and Data Engineering.

[28]  B. Bollobás The evolution of random graphs , 1984 .

[29]  Yizhou Sun,et al.  Convolutional Set Matching for Graph Similarity , 2018, ArXiv.

[30]  Pushmeet Kohli,et al.  Graph Matching Networks for Learning the Similarity of Graph Structured Objects , 2019, ICML.

[31]  Yizhou Sun,et al.  SimGNN: A Neural Network Approach to Fast Graph Similarity Computation , 2018, WSDM.

[32]  Brian Gallagher,et al.  Matching Structure and Semantics: A Survey on Graph-Based Pattern Matching , 2006, AAAI Fall Symposium: Capturing and Using Patterns for Evidence Detection.

[33]  P. Erdos,et al.  On the evolution of random graphs , 1984 .

[34]  Pietro Hiram Guzzi,et al.  M-Finder: Uncovering functionally associated proteins from interactome data integrated with GO annotations , 2013, Proteome Science.

[35]  Jianzhong Li,et al.  Efficient Subgraph Matching on Billion Node Graphs , 2012, Proc. VLDB Endow..

[36]  Sing-Hoi Sze,et al.  Path Matching and Graph Matching in Biological Networks , 2007, J. Comput. Biol..

[37]  Jure Leskovec,et al.  Inductive Representation Learning on Large Graphs , 2017, NIPS.

[38]  Ah Chung Tsoi,et al.  The Graph Neural Network Model , 2009, IEEE Transactions on Neural Networks.

[39]  William J. Christmas,et al.  Structural Matching in Computer Vision Using Probabilistic Relaxation , 1995, IEEE Trans. Pattern Anal. Mach. Intell..

[40]  Jure Leskovec,et al.  Patterns of Influence in a Recommendation Network , 2006, PAKDD.

[41]  Danqi Chen,et al.  Reasoning With Neural Tensor Networks for Knowledge Base Completion , 2013, NIPS.

[42]  Pedro Ribeiro,et al.  A Survey on Subgraph Counting , 2019, ACM Comput. Surv..

[43]  Junchi Yan,et al.  Learning Combinatorial Embedding Networks for Deep Graph Matching , 2019, 2019 IEEE/CVF International Conference on Computer Vision (ICCV).

[44]  Ru Shen,et al.  Mining functional subgraphs from cancer protein-protein interaction networks , 2012, BMC Systems Biology.