Graph Substructure Networks (GSN) improves GNN expressivity by counting subgraph isomorphisms.
problem Limited expressivity of GNNs in detecting and counting graph substructures.
method Topologically-aware message passing scheme based on substructure encoding.
result GSN is strictly more expressive than the Weisfeiler-Leman (WL) test and can disambiguate even hard graph isomorphism instances.
New graph learning model can approximate any function and handle edge values.
problem Graph learning models' limitations in approximating functions and handling edge values.
method Proposes a Graph Neural Network that can approximate any function and handle arbitrary edge values.
result Proves the model is strictly more expressive than existing models.
PathNNs improve graph neural networks by distinguishing non-isomorphic graphs.
problem Limitations of standard GNNs in distinguishing non-isomorphic graphs.
method Proposes PathNNs that aggregate paths to update node representations.
result Two variants of PathNNs are strictly more powerful than 1-WL algorithm.
Explains differences between WL and folklore-WL formulations in graph neural networks.
problem Understanding the differences between WL and folklore-WL formulations in graph neural networks.
method Visual explanation of differences between WL and folklore-WL formulations.
result Clarifies the differences between WL and folklore-WL formulations.
This paper explores different graph neural network functions to improve graph isomorphism.
problem Lack of robust implementation for graph neural networks due to limited analysis of underlying functions.
method Examines various alternative functions for different modules in GNNs using benchmark datasets.
result Generally used underlying techniques do not always capture the overall graph structure.
Graph Neural Networks (GNNs) have achieved much success on graph-structured data. In light of this, there have been increasing interests in studying their expressive power. One line of work studies the capability of GNNs to approximate permutation-invariant functions on graphs, and another focuses on the their power as…
Deep learning models have achieved huge success in numerous fields, such as computer vision and natural language processing. However, unlike such fields, it is hard to apply traditional deep learning models on the graph data due to the 'node-orderless' property. Normally, adjacency matrices will cast an artificial and …
Graph neural networks struggle to distinguish certain graph structures.
problem Difficulty in distinguishing graphs with graph neural networks.
method Analysis of communication capacity in message-passing model of graph neural networks.
result Capacity of MPNN needs to grow linearly for trees and quadratically for general connected graphs.
Weisfeiler-Leman struggles with graph isomorphism; enhanced architectures improve generalization.
problem Graph isomorphism problem and limited expressivity of 1-WL. method Augmenting 1-WL and MPNNs with subgraph information, employing margin theory, and introducing provable generalization kernels. result Increased expressivity of graph neural networks and kernels does not necessarily correlate with improved generalization performance.
SpeqNets improve graph neural networks by scaling and adapting to graph sparsity.
problem Graph neural networks struggle with permutation-equivariant functions and scalability to large graphs.
method Introducing sparsity-aware, permutation-equivariant graph networks with heuristics for graph isomorphism.
result Significantly improved predictive performance and reduced computation times compared to existing methods.
Enhanced GNN with expanded attention window and partially random embeddings.
problem Limited expressivity of traditional GNNs in distinguishing non-isomorphic graphs.
method Graph attention network with expanding attention window and partially random initial embeddings. Head dropout for regularization.
result Improved ability to differentiate between non-isomorphic graphs.
Line graph transformation aids graph isomorphism tests by excluding challenging graph properties.
problem Limited theoretical understanding of line graph transformation's impact on GNN models.
method Examined CFI and strongly regular graphs, showing line graph transformation helps WL tests distinguish these graphs.
result Line graph transformation aids WL tests in distinguishing challenging graph properties.
Enhances GNNs by capturing node relationships, outperforming 2-WL test.
problem Inability of conventional GNNs to fully capture node relationships due to permutation invariance.
method Develops permutation-sensitive aggregation mechanism using permutation groups.
result Proves superior expressivity compared to 2-WL test and not less than 3-WL test.
Develops GIN for fMRI sex classification, explaining results.
problem Difficulty in explaining GNN classification results in neuroscientific terms.
method Develops Graph Isomorphism Network (GIN) for fMRI data, leveraging CNN saliency maps.
result GIN enables visualization of brain regions important for sex classification.
Improved graph neural network bounds using graph diffusion matrix.
problem Empirical performance of graph neural networks on real-world graphs.
method Unified model of graph neural networks, focusing on feature diffusion matrix stability.
result Generalization bounds scale with largest singular value of feature diffusion matrix, smaller than prior bounds.
This study compares GNNs and GA-MLPs, finding GA-MLPs can distinguish graphs but not count walks.
problem Comparing expressive power and graph isomorphism testing capabilities of GNNs and GA-MLPs.
method GA-MLPs augment node features with multi-hop operators and apply MLPs node-wise; GNNs are compared as a baseline.
result GA-MLPs can distinguish almost all non-isomorphic graphs but cannot count attributed walks, unlike GNNs.
Machine learning identifies 3-manifold triangulations using isomorphism signatures.
problem Differentiating and classifying 3-manifolds and their Dehn surgeries.
method Training machine learning models on isomorphism signatures derived from 3-manifold triangulations and Pachner graphs.
result Gradient saliency analysis reveals key parts of the language-like encoding scheme.
kth-order invariant graph networks are as powerful as kth-order WL in distinguishing graphs.
problem Measuring the expressive power of graph neural network formalisms.
method Considered kth-order invariant graph networks (k-IGNs) and compared their expressive power to kth-order WL.
result k-IGNs and k-WL are equally powerful in distinguishing graphs.
In recent years there has been a rapid increase in classification methods on graph structured data. Both in graph kernels and graph neural networks, one of the implicit assumptions of successful state-of-the-art models was that incorporating graph isomorphism features into the architecture leads to better empirical per…
New benchmarks improve model performance by accounting for isomorphism classes in multi-relational datasets.
problem Synthetic multi-relational datasets lack isomorphism class awareness, leading to overestimation of model performance.
method Proposed isomorphism-aware synthetic benchmarks and a prioritisation scheme to improve model performance and stability.
result Isomorphism classes can be utilised to improve model performance, stability during training, and reduce training time.
Adding random features to GNNs improves their performance.
problem Limitations of GNNs in distinguishing graphs and learning efficient algorithms.
method Adding random features to each node in GNNs.
result Random features enable GNNs to learn optimal algorithms for graph problems.
We present Graph Random Neural Features (GRNF), a novel embedding method from graph-structured data to real vectors based on a family of graph neural networks. The embedding naturally deals with graph isomorphism and preserves the metric structure of the graph domain, in probability. In addition to being an explicit em…
Graph neural networks struggle with counting certain substructures in graphs.
problem Detecting and counting specific substructures in graphs.
method Study of graph neural networks' ability to count attributed graph substructures.
result Graph neural networks like MPNNs, 2-WL, and 2-IGNs have limitations in counting certain substructures.
Graphs indistinguishable by GNNs are fully characterized.
problem Limited expressiveness of GNNs in distinguishing non-isomorphic graphs.
method Theory of covering spaces to characterize GNN equivalence classes.
result Arbitrarily many non-isomorphic graphs that GNNs cannot distinguish.
Graph Neural Networks outperform the Weisfeiler-Lehman algorithm in representation power.
problem Limited representation power of Graph Neural Networks compared to the Weisfeiler-Lehman algorithm.
method Algebraic analysis using eigenvalue decomposition of graph operators.
result Graph Neural Networks produce more discriminative representations than the Weisfeiler-Lehman algorithm.
Geometric duality connects graph isomorphism and knot equivalence.
problem Understanding the equivalence of graph isomorphism and knot equivalence.
method Observation of geometric duality in planar graphs and links.
result The equivalence relation defined by isomorphisms of checkerboard graphs is the same as 2-isomorphisms of checkerboard graphs.
PiNet improves graph classification efficiency and accuracy.
problem Graph level classification challenges.
method Attention-based pooling mechanism for graph convolution operations.
result Superior performance and high sample efficiency.
ESAN improves graph neural networks by processing subgraphs.
problem Limitations of MPNNs in graph isomorphism.
method ESAN represents graphs as sets of subgraphs and processes them with equivariant architectures.
result ESAN increases the expressive power of GNNs and more expressive architectures.
In recent years, graph neural networks (GNNs) have emerged as a powerful neural architecture to learn vector representations of nodes and graphs in a supervised, end-to-end fashion. Up to now, GNNs have only been evaluated empirically -- showing promising results. The following work investigates GNNs from a theoretical…
Graph neural networks (GNNs) have emerged recently as a powerful architecture for learning node and graph representations. Standard GNNs have the same expressive power as the Weisfeiler-Leman test of graph isomorphism in terms of distinguishing non-isomorphic graphs. However, it was recently shown that this test cannot…
We study the robustness to symmetric label noise of GNNs training procedures. By combining the nonlinear neural message-passing models (e.g. Graph Isomorphism Networks, GraphSAGE, etc.) with loss correction methods, we present a noise-tolerant approach for the graph classification task. Our experiments show that test a…
Graph homomorphism numbers embed graphs for classification.
problem Graph classification using graph homomorphisms.
method Embed graphs into vectors using homomorphism numbers.
result Homomorphism vectors are universal for approximating graph invariants.
Paper tackles NP-complete subgraph isomorphism counting problem.
problem Counting subgraph isomorphisms in large graphs.
method Learning framework that augments representation learning architectures and iteratively attends pattern and target graphs.
result Scalable learning approach counts subgraph isomorphisms in linear time.
The ability of a graph neural network (GNN) to leverage both the graph topology and graph labels is fundamental to building discriminative node and graph embeddings. Building on previous work, we theoretically show that edGNN, our model for directed labeled graphs, is as powerful as the Weisfeiler-Lehman algorithm for …
Recent methods for generating novel molecules use graph representations of molecules and employ various forms of graph convolutional neural networks for inference. However, training requires solving an expensive graph isomorphism problem, which previous approaches do not address or solve only approximately. In this wor…
GNNs with random node initialization are shown to be universally expressive.
problem Limitations of standard GNNs in distinguishing graphs.
method Random node initialization (RNI) to enhance GNNs' expressive power.
result GNNs with RNI are proven to be universally expressive.
Graphs possess exotic features like variable size and absence of natural ordering of the nodes that make them difficult to analyze and compare. To circumvent this problem and learn on graphs, graph feature representation is required. A good graph representation must satisfy the preservation of structural information, w…
Dominant knots have isomorphic Seifert and Tait graphs.
problem Understanding knot dominance through graph isomorphism.
method Examined alternating knots and their Seifert and Tait graphs.
result Isomorphic Seifert and Tait graphs indicate dominant knots.
A new GNN model SPIN achieves state-of-the-art performance on diverse real-world datasets.
problem Graph classification efficiency and accuracy.
method Parallel neighborhood aggregations (PA-GNNs) and SPIN model.
result SPIN model achieves state-of-the-art performance on diverse real-world datasets.
This work generalizes graph neural networks (GNNs) beyond those based on the Weisfeiler-Lehman (WL) algorithm, graph Laplacians, and diffusions. Our approach, denoted Relational Pooling (RP), draws from the theory of finite partial exchangeability to provide a framework with maximal representation power for graphs. RP …
Study extends GNN VC dimension bounds to Pfaffian activation functions.
problem Bounding GNN VC dimension for new activation functions.
method Pfaffian function theory applied to GNNs with sigmoid and hyperbolic tangent activations.
result Bounds on GNN VC dimension for various architectures and graph properties.
Mapper-GIN simplifies 3D point cloud classification with lightweight structure.
problem Robust 3D point cloud classification under corruption.
method Mapper algorithm for structural decomposition, GIN for graph classification.
result Mapper-GIN achieves competitive accuracy with minimal parameters.
Extends graph similarity theory to improve MPNNs' generalization abilities.
problem Understanding MPNNs' generalization beyond training data.
method Extends graph similarity theory, assesses graph structure, aggregation, and loss functions.
result Improves understanding of MPNNs' generalization properties.
Recently, the Weisfeiler-Lehman (WL) graph isomorphism test was used to measure the expressive power of graph neural networks (GNN). It was shown that the popular message passing GNN cannot distinguish between graphs that are indistinguishable by the 1-WL test (Morris et al. 2018; Xu et al. 2019). Unfortunately, many s…
TOGL adds topological info to GNNs, improving graph and node classification.
problem Graph neural networks lack substructure awareness, especially cycles.
method Integrates global topological information using persistent homology.
result Improves predictive performance for graph and node classification.
Algorithm determines spatial graph isomorphism with vertex, edge colorings and orientations.
problem Algorithmic recognition of spatial graphs with various colorings and orientations.
method Proved existence of an algorithm for isomorphic spatial graphs, decomposed into canonical blocks, and applied Haken and Matveev's result.
result Algorithmic recognition of spatial graphs with colorings and orientations.
Can neural networks learn to compare graphs without feature engineering? In this paper, we show that it is possible to learn representations for graph similarity with neither domain knowledge nor supervision (i.e.\ feature engineering or labeled graphs). We propose Deep Divergence Graph Kernels, an unsupervised method …
We consider a method popular in the literature of associating a two-step nilpotent Lie algebra with a finite simple graph. We prove that the two-step nilpotent Lie algebras associated with two graphs are Lie isomorphic if and only if the graphs from which they arise are isomorphic.