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.
Graphs benefit from unique node identifiers but lose permutation-equivariance. We propose a method to maintain this property.
problem Graph Neural Networks' inherent limitations due to message-passing structure.
method Propose permutation-equivariant UID models and a contrastive loss to regularize them.
result Our method improves generalization and convergence, achieving state-of-the-art performance.
SMP model preserves proximity and permutation in graph neural networks.
problem Challenges in graph mining, such as community and leader finding.
method Stochastic Message Passing (SMP) model that maintains proximity and permutation-equivariance.
result SMP model effectively preserves node proximities and permutation-equivariance.
New graph foundation models respect symmetries for broader applicability.
problem Tailored graph machine learning architectures limit broader applicability.
method Investigates symmetries for label and feature permutations, proving network universal approximator.
result Universal approximator on multisets respecting node and feature permutations.
New algorithm uses GNNs to optimize rewards in graph-structured data.
problem Optimizing rewards in molecule design with graph-structured data.
method Embedding permutation invariance into GNNs and using GNTK for regret bounds.
result First GNN confidence bound and phased-elimination algorithm with sublinear regret.
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.
Paper studies vertex correspondence recovery in correlated graphs with node features.
problem Recovering hidden vertex correspondence between two correlated graphs with observed edge weights and node features.
method Introduced featured correlated Gaussian Wigner model and proposed QPAlign algorithm for quadratic programming relaxation.
result Characterized optimal information-theoretic thresholds for exact and partial recovery of latent mapping.
We propose an end-to-end deep learning learning model for graph classification and representation learning that is invariant to permutation of the nodes of the input graphs. We address the challenge of learning a fixed size graph representation for graphs of varying dimensions through a differentiable node attention po…
Graph node embedding aims at learning a vector representation for all nodes given a graph. It is a central problem in many machine learning tasks (e.g., node classification, recommendation, community detection). The key problem in graph node embedding lies in how to define the dependence to neighbors. Existing approach…
The network jackknife provides conservative variance estimates for network statistics.
problem Estimating the variance of network statistics.
method Leave-node-out jackknife procedure for network data under the sparse graphon model.
result The network jackknife leads to conservative estimates of the variance for network functionals invariant to node permutation.
CIT and CIF improve feature selection for downstream prediction.
problem Feature selection bias in machine learning models.
method Conditional inference trees and forests with Bonferroni correction.
result CIF ranks top 3 among 18 regression methods and top 4 among 17 classification methods.
A new metric assesses causal graphs using node permutations to detect inconsistencies.
problem Quantifying the goodness of causal graphs and distinguishing them from random graphs.
method Constructing a baseline through node permutations and comparing inconsistencies.
result The proposed metric can distinguish between true and wrong causal graphs.
Enhances graph neural networks with structural message-passing for better generalization.
problem Limited representation power and inability to learn basic graph topological properties.
method Proposes a framework that includes a one-hot encoding of nodes and parametrized message and update functions ensuring permutation equivariance.
result Achieves state-of-the-art results on molecular graph regression on the ZINC dataset.
PARD generates graphs efficiently and invariantly to node ordering.
problem Graph generation sensitivity to node ordering.
method Integrates autoregressive and diffusion models with a partial order for nodes and edges.
result PARD achieves state-of-the-art performance on molecular and non-molecular datasets.
Learning generative models for graph-structured data is challenging because graphs are discrete, combinatorial, and the underlying data distribution is invariant to the ordering of nodes. However, most of the existing generative models for graphs are not invariant to the chosen ordering, which might lead to an undesira…
The paper uses belief propagation to analyze rankings and partial orders from partial information.
problem Analyzing rankings and partial orders from incomplete data.
method Continuous spin system and belief propagation algorithm.
result Computes marginal distribution and approximates number of linear extensions.
Graph Neural Networks struggle on random graphs without node identifiers.
problem Graph Neural Networks' limitations on random graphs without node identifiers.
method Study of Graph Neural Networks and Structural Graph Neural Networks convergence on large random graphs.
result Structural Graph Neural Networks are more powerful and universal than Graph Neural Networks on random graphs.
Graph Neural Networks (GNN) come in many flavors, but should always be either invariant (permutation of the nodes of the input graph does not affect the output) or equivariant (permutation of the input permutes the output). In this paper, we consider a specific class of invariant and equivariant networks, for which we …
Validates conformal prediction for network data under non-uniform sampling.
problem Validity of conformal prediction for network data under non-representative sampling.
method Interprets sampling mechanisms as selection rules, studies validity conditional on selection events, uses permutation invariance and joint exchangeability.
result Finite-sample validity of conformal prediction for certain selection events and asymptotic validity for random walk sampling.
Paper compares expressive power of GNNs, proving approximation guarantees for practical architectures.
problem Understanding the expressive power of Graph Neural Networks (GNNs).
method Theoretical framework comparing invariant and equivariant GNNs, proving approximation guarantees for practical architectures.
result Folklore Graph Neural Networks (FGNN) are the most expressive architectures for a given tensor order.
TD-GEN generates graphs using tree decomposition, improving efficiency and performance.
problem Efficiently generating graphs with statistical properties.
method Tree decomposition, permutation invariant tree generation, incremental graph generation.
result Improved graph generation efficiency and performance.
Generative models of graphs are well-known, but many existing models are limited in scalability and expressivity. We present a novel sequential graphical variational autoencoder operating directly on graphical representations of data. In our model, the encoding and decoding of a graph as is framed as a sequential decon…
ABI adapts to graph data for fast, scalable inference.
problem Challenges in inference on graph-structured data.
method Amortized Bayesian Inference (ABI) framework for graph data.
result ABI successfully addresses challenges in graph data inference.
Paper tackles shape graph registration using neural networks.
problem Constrained registration of shape graphs with varying nodes and edges.
method Shape-Graph Matching Network (SGM-net) with an elastic shape metric loss function.
result State-of-the-art matching performance and reduced computational cost.
Weisfeiler and Leman enhance graph learning for machine learning tasks.
problem Learning from graph data in machine learning.
method Weisfeiler and Leman algorithm applied to graph and node representation learning.
result The algorithm improves graph and node representation learning in machine learning.
A new method learns DAGs from data using permutation optimization.
problem Discovering latent DAGs from observational data.
method Optimizes over the Permutahedron to learn topological orderings and edges.
result Our method optimizes exact DAGs, is modular, and performs well on real-world data.
Study detects edge correlation between unlabeled random graphs.
problem Detect edge correlation between unlabeled random graphs.
method Hypothesis testing, conditional second-moment method, pseudoforest structure, enumeration of subpseudoforests.
result Sharp threshold for phase transition in testing error probability.
New mesh network preserves symmetries in deep learning.
problem No existing mesh processing architecture is equivariant to all symmetries.
method Equivariant attention-based mesh network using relative tangential features.
result The network achieves improved performance and is equivariant to various transformations.
New model learns graph spectra accurately, outperforming existing methods.
problem Graph diffusion models struggle to distinguish certain graph families and their spectra.
method Leveraged random matrix theory to analytically extract spectral properties, introducing Dyson Diffusion Model.
result Dyson Diffusion Model learns graph spectra accurately and outperforms existing models.
Bayesian networks are a class of popular graphical models that encode causal and conditional independence relations among variables by directed acyclic graphs (DAGs). We propose a novel structure learning method, annealing on regularized Cholesky score (ARCS), to search over topological sorts, or permutations of nodes,…
New LCM aggregator improves GNN performance and efficiency.
problem Graph neural networks' sensitivity to aggregation function choice.
method Learnable commutative monoid for graph aggregation.
result LCM aggregator achieves performance competitive with recurrent aggregators.
Novel flows generate molecules without post-processing.
problem Generating new molecules efficiently and without post-processing issues.
method Continuous normalizing E(3)-equivariant flows based on node ODEs coupled as a graph PDE.
result Generated samples achieve state-of-the-art performance on QM9 and ZINC250K benchmarks.
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 …
This work relaxes GNN symmetries to approximate automorphisms, improving model performance.
problem Improving graph neural network performance on asymmetric graphs.
method Formalizing approximate symmetries via graph coarsening, introducing a bias-variance formula.
result Best generalization performance achieved by choosing a larger symmetry group than automorphisms but smaller than permutations.
Study shows gMPNNs struggle with OOD link prediction in larger test graphs.
problem Inductive out-of-distribution link prediction in larger test graphs.
method Theoretical analysis and development of a gMPNN with structural pairwise embeddings.
result Structural node embeddings from gMPNNs converge to random guessing as test graphs grow.
The paper sets thresholds for testing correlation in hypergraphs, distinguishing between independent and correlated states.
problem Testing correlation between two hypergraphs under different models.
method Derives sharp information-theoretic thresholds for distinguishing between null and alternative hypotheses.
result The testing threshold decreases as the hypergraph's uniformity (m) increases, making correlation testing easier for higher uniformity.
Graph neural networks leverage graph filters to learn from network data.
problem Learning from network data with graph structure.
method Characterize graph neural networks using graph signal processing and graph convolutional filters.
result Graph neural networks have permutation equivariance and stability to topology changes.
Proposes graph neural network layers for manifold-valued graphs.
problem Graphs with features in a Riemannian manifold.
method Diffusion layer and tangent multilayer perceptron.
result Outperforms state-of-the-art networks on Alzheimer's classification.
Cheap permutation tests speed up distribution testing without sacrificing accuracy.
problem Efficiently testing distribution differences and independence.
method Group datapoints into bins and permute only these bins, using stored sufficient statistics.
result Cheap permutation tests maintain the accuracy and optimality of standard tests but are significantly faster.
C-OPH improves One Permutation Hashing by using a shorter circulant permutation.
problem Improving the accuracy of One Permutation Hashing (OPH) for Jaccard similarity estimation.
method Develops a new densification method using a shorter circulant permutation.
result Achieves the smallest estimation variance for Jaccard similarity.
Random permutations can offer faster convergence than with-replacement sampling for some functions.
problem Understanding when and how random permutations outperform with-replacement sampling in SGD convergence.
method Analyzing convergence rates for different function classes (1D strongly convex, general strongly convex, quadratic strongly convex).
result The optimal convergence gap between random and permutation-based SGD varies from exponential to nonexistent, depending on the function class.
Representations of sets are challenging to learn because operations on sets should be permutation-invariant. To this end, we propose a Permutation-Optimisation module that learns how to permute a set end-to-end. The permuted set can be further processed to learn a permutation-invariant representation of that set, avoid…
Permutations linked to knots and links, with unknots counted by Schröder numbers.
problem Understanding permutations as knots and links.
method Using grid diagrams and Bennequin's inequality.
result Permutations corresponding to unknots and links are counted by Schröder numbers.
This paper focuses on the discrimination capacity of aggregation functions: these are the permutation invariant functions used by graph neural networks to combine the features of nodes. Realizing that the most powerful aggregation functions suffer from a dimensionality curse, we consider a restricted setting. In partic…
Regularizes RNNs to be invariant to input order.
problem Making RNNs invariant to input order.
method Stochastic regularization to enforce permutation invariance.
result Improves model performance on permutation invariant tasks.
We tackle permutation in linear regression with a new inference framework.
problem Statistical investigation of permutation in linear regression models.
method Localization step followed by conditional Monte Carlo test and coefficient inference.
result Valid statistical inference procedures for permutation and regression coefficients.
Permutability of surface transforms yields discrete analogs.
problem Discretization of smooth surfaces with specific properties.
method Permutability of transforms of smooth surfaces.
result Discrete surfaces with discrete analogs of original properties.
Automated planning is one of the foundational areas of AI. Since no single planner can work well for all tasks and domains, portfolio-based techniques have become increasingly popular in recent years. In particular, deep learning emerges as a promising methodology for online planner selection. Owing to the recent devel…