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.
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.
Proposes a 2-WL-based graph convolution for improved graph classification.
problem Limitations of current GNN architectures in discriminative power.
method Introduces a novel 2-dimensional Weisfeiler-Lehman graph convolution.
result 2-WL-GNN architecture is more discriminative than existing GNN approaches.
NeuroSteiner uses neural networks to estimate wirelength more efficiently.
problem Minimizing wirelength in chip design.
method Neural model trained on synthesized nets to estimate WL.
result NeuroSteiner achieves 0.3% WL error at 60% faster than GeoSteiner.
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…
The paper connects GNNs to VC dimension theory to study their generalization performance.
problem Understanding GNNs' ability to make meaningful predictions beyond the training set.
method Using Vapnik-Chervonenkis (VC) dimension theory in two settings: no upper bound on graph order and known upper bound.
result Tight connections between GNNs' bitlength, number of colors, and VC dimension in different settings.
Improved molecular property prediction using WL embedding in GNNs.
problem Limited performance of GNNs in predicting molecular properties.
method Explored Weisfeiler-Lehman (WL) embedding to replace GNN layers, enhancing representability and performance.
result WL embedding consistently improves GNN performance across multiple datasets.
Mutually interacting components form complex systems and the outputs of these components are usually long-range cross-correlated. Using wavelet leaders, we propose a method of characterizing the joint multifractal nature of these long-range cross correlations, a method we call joint multifractal analysis based on wavel…
Geometrically interpolates rigid body motions with initial and terminal twists.
problem Finding spatial trajectories between prescribed initial and terminal poses.
method Derives solutions for k-IV-TIP and k-BV-TIP for k=1,...,4.
result Automatic cubic interpolation identical to minimum acceleration curve when twists are zero.
ISP improves GNN expressivity by stratifying nodes based on graph invariants.
problem Graph Neural Networks struggle with expressivity and structural heterogeneity.
method Invariant-Stratified Propagation (ISP) using ISP-WL and ISPGNN.
result ISP achieves enhanced expressivity beyond 1-WL, with theoretical guarantees and practical improvements.
Improved GNN simulation of WL test with exponentially lower complexity.
problem Improving the complexity of simulating the Weisfeiler-Lehman test with GNNs.
method Exponentially lower complexity simulation of WL test using GNNs with polylogarithmic parameters and O(log n) bits feature vectors.
result Near-optimal construction with logarithmic lower bounds for feature vector length and neural network size.
Paper explores how GNNs can learn graph biconnectivity, finding ESAN is the only known expressive framework.
problem Understanding the expressive power of GNNs beyond the WL test.
method Introduces a novel class of expressivity metrics via graph biconnectivity and develops the GD-WL approach.
result GD-WL consistently outperforms prior GNN architectures in learning biconnectivity metrics.
New MPNNs match 2-WL, faster distinguishing graphs.
problem Improving graph neural network expressiveness.
method Introducing ℓ \ell ℓ -walk MPNNs and second-order GNNs. result Walk MPNNs match 2-WL and can distinguish graphs faster.
Weisfeiler-Leman struggles with graph isomorphism; enhanced architectures improve generalization.
problem Graph isomorphism problem and limited expressivity of 1 1 1 -WL. method Augmenting 1 1 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.
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.
New framework extends graph neural networks by improving expressiveness and space efficiency.
problem Limitations of existing graph neural networks, particularly in expressive power and space complexity.
method Proposed ( k , t ) (k,t) ( k , t ) -FWL+, a flexible and powerful framework that combines ( k , t ) (k,t) ( k , t ) -FWL and k k k -FWL+. result Demonstrated N 2 ^2 2 -FWL, a practical and theoretically sound instance of ( k , t ) (k,t) ( k , t ) -FWL+, achieving record-breaking results on ZINC-Subset. 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.
New algorithm improves online binary classification with constant time complexity.
problem Online binary classification with rebalancing.
method Non-iteratively reweighted recursive least-squares.
result Exacts converges to batch formulation and outperforms existing algorithms.
Paper compares GCNs and MPNNs, finding GCNs are one step ahead of WL algorithm.
problem Comparing graph convolutional networks (GCNs) and message-passing neural networks (MPNNs).
method Casts GCNs and MPNNs as MPNNs, studies distinguishing power of different architectures.
result GCNs are one step ahead of the Weisfeiler-Lehman (WL) algorithm in distinguishing power.
New walk extraction strategies improve node embeddings in KGs.
problem Improving node embeddings in knowledge graphs.
method Proposed five different walk extraction strategies to complement basic random walks.
result The n-gram strategy performs best on average for node classification tasks.
The ability to detect and count certain substructures in graphs is important for solving many tasks on graph-structured data, especially in the contexts of computational chemistry and biology as well as social network analysis. Inspired by this, we propose to study the expressive power of graph neural networks (GNNs) v…
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.
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 …
Due to the insufficient measurements in the distribution system state estimation (DSSE), full observability and redundant measurements are difficult to achieve without using the pseudo measurements. The matrix completion state estimation (MCSE) combines the matrix completion and power system model to estimate voltage b…
Geometric GNNs improve graph discrimination through GWL.
problem Discriminating geometric graphs embedded in Euclidean space.
method Proposed a geometric version of the Weisfeiler-Leman test (GWL) for geometric graphs.
result Characterized the expressive power of geometric GNNs based on physical symmetries.
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.
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.
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.
Deep ReLU networks can approximate and learn smooth functions efficiently.
problem Efficiently approximating and learning smooth functions using deep ReLU neural networks.
method Extending recent results to anisotropic and mixed smooth function classes, establishing approximation rates.
result Deep ReLU networks achieve minimax optimal rates up to logarithmic factors for various smooth function classes.
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…
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 to better capture local graph structures.
problem Limited expressiveness of GNNs due to star-shaped message passing.
method Extends local aggregation to subgraph patterns using GNN encoders.
result Significantly improved performance on graph ML tasks.
DE improves GNNs by distinguishing graph substructures, enhancing accuracy.
problem Limited expressive power of GNNs in representing graph substructures.
method Introduces Distance Encoding (DE) to assist GNNs in distinguishing graph substructures.
result DE distinguishes graph substructures that traditional GNNs cannot, improving accuracy.
Deep ReLU networks can efficiently approximate Sobolev and Besov functions.
problem Approximating functions in Sobolev and Besov spaces using deep neural networks.
method Used deep ReLU neural networks with varied width and depth to approximate functions in Sobolev and Besov spaces.
result Generalized the approximation rate to hold under the Sobolev embedding condition.
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.
CW Networks leverage cell complexes to enhance GNNs, achieving state-of-the-art results on molecular datasets.
problem Graph Neural Networks struggle with long-range interactions and lack principled ways to model higher-order structures.
method CW Networks use cell complexes to decouple computational and input graph structures, enabling flexible hierarchical message passing.
result CW Networks achieve state-of-the-art results on molecular datasets.
Given a graph where every node has certain attributes associated with it and some nodes have labels associated with them, Collective Classification (CC) is the task of assigning labels to every unlabeled node using information from the node as well as its neighbors. It is often the case that a node is not only influenc…
Time series data in the retail world are particularly rich in terms of dimensionality, and these dimensions can be aggregated in groups or hierarchies. Valuable information is nested in these complex structures, which helps to predict the aggregated time series data. From a portfolio of brands under HUUB's monitoring, …
Enhances graph neural networks with spectral and topological information.
problem Improving graph neural networks' expressivity beyond Weisfeiler-Leman hierarchy.
method Integrates spectral information into Persistent Homology diagrams.
result SpectRe is strictly more expressive than PH and spectral information alone.
AgentNet is a graph neural network that learns to walk graphs intelligently, outperforming traditional methods.
problem Graph-level tasks, especially distinguishing and classifying graphs.
method AgentNet uses a computational model inspired by sublinear algorithms, where neural agents walk the graph and collectively decide the output.
result AgentNet can distinguish and separate graphs that are hard to distinguish, outperforming traditional graph neural networks.
We study finite sample expressivity, i.e., memorization power of ReLU networks. Recent results require N N N hidden nodes to memorize/interpolate arbitrary N N N data points. In contrast, by exploiting depth, we show that 3-layer ReLU networks with Ω ( N ) Ω(\sqrt{N}) Ω ( N ) hidden nodes can perfectly memorize most datasets with N N N po…
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.
Unified framework for subgraph-enhanced GNNs, improving prediction accuracy and reducing computation time.
problem Limited understanding of subgraph-enhanced GNNs and their relation to the Weisfeiler-Leman hierarchy.
method Theoretical framework, theoretical expressivity results, and data-driven subgraph sampling methods.
result Data-driven subgraph-enhanced GNNs outperform non-data-driven methods in predictive performance.
We propose a novel adaptive kernel based regression method for complex-valued signals: the generalized complex-valued kernel least-mean-square (gCKLMS). We borrow from the new results on widely linear reproducing kernel Hilbert space (WL-RKHS) for nonlinear regression and complex-valued signals, recently proposed by th…
Graph kernels based on the 1 1 1 -dimensional Weisfeiler-Leman algorithm and corresponding neural architectures recently emerged as powerful tools for (supervised) learning with graphs. However, due to the purely local nature of the algorithms, they might miss essential patterns in the given data and can only handle binar…
PatchGT uses non-trainable graph patches to improve graph representation learning.
problem Learning high-level information in graph tasks with direct Transformer models.
method PatchGT segments graphs into non-trainable patches, uses GNN for patch-level learning, and Transformer for graph-level learning.
result PatchGT achieves higher expressiveness and competitive performance on benchmark datasets.
π-GNN learns soft permutations for graph representations, improving graph classification and regression.
problem Limitations of MPNNs in graph neural networks.
method Proposes π-GNN, which learns a soft permutation matrix for each graph, projecting graphs into a common vector space.
result π-GNN achieves performance competitive with state-of-the-art models on graph classification and regression tasks.
Frame Averaging makes neural networks invariant or equivariant to new symmetries.
problem Designing neural networks that respect symmetries while being expressive and efficient.
method Introduces Frame Averaging (FA) as a systematic framework to adapt architectures to become invariant or equivariant to new symmetries.
result Frame Averaging guarantees exact invariance or equivariance while being simpler to compute than full group averaging.