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.
Graph matching with feature vectors is solved using a two-layer graph neural network.
problem Graph matching in the presence of sparse binary features.
method Two-layer graph neural network with graph structure.
result Graph neural network can recover correct mapping with high probability under certain conditions.
Geometric deep learning predicts knot invariants.
problem Predicting knot invariants from knot data.
method Constructing a functor from knots to graphs and using graph neural networks.
result High generalization capabilities demonstrated.
PyTorch Geometric Signed Directed fills the gap for GNNs on signed and directed graphs.
problem Lack of unified software packages for GNNs on signed and directed networks.
method Developed a software package with GNN models, synthetic and real-world data, and evaluation metrics.
result Demonstrates the effectiveness of the implemented methods through experiments.
Graph Neural Networks improve financial time series forecasting accuracy.
problem Forecasting univariate financial time series with statistical significance.
method Introducing the Time-Geometric model combining geometric and temporal patterns.
result Statistically significant improvements in forecasting accuracy through geometric patterns.
Neural networks' feature geometry evolves like discrete Ricci flow.
problem Understanding neural feature representations and their geometric transformations.
method Approximating input manifold with geometric graphs and analyzing their evolution during training.
result Neural feature geometry evolves like discrete Ricci flow, with nonlinear activations playing a crucial role.
NeuroMatch efficiently matches subgraphs in large graphs using neural networks.
problem Determining the presence and location of a query graph in a large target graph.
method NeuroMatch decomposes graphs into subgraphs, embeds them using graph neural networks, and matches them directly in the embedding space.
result NeuroMatch is 100x faster and 18% more accurate than existing methods.
Message-passing neural networks (MPNNs) have been successfully applied to representation learning on graphs in a variety of real-world applications. However, two fundamental weaknesses of MPNNs' aggregators limit their ability to represent graph-structured data: losing the structural information of nodes in neighborhoo…
A new GNN module learns geometric scattering features for better graph classification and feature exploration.
problem Learning long-range graph relations and extracting meaningful features from graphs.
method Proposes a learnable geometric scattering (LEGS) module in graph neural networks (GNNs), incorporating wavelet filters.
result LEGS-based GNNs outperform existing methods in graph classification and feature extraction tasks.
The scattering transform is a multilayered wavelet-based deep learning architecture that acts as a model of convolutional neural networks. Recently, several works have introduced generalizations of the scattering transform for non-Euclidean settings such as graphs. Our work builds upon these constructions by introducin…
VDWs enhance graph neural networks for analyzing complex data.
problem Analyzing data on non-Euclidean geometries.
method Incorporating vector diffusion wavelets into geometric graph neural networks.
result VDW-GNNs effectively analyze synthetic and real-world data.
tf_geometric simplifies graph deep learning in TensorFlow.
problem Efficient graph deep learning in TensorFlow.
method Kernel libraries and infrastructures for GNNs.
result tf_geometric supports various graph tasks and provides efficient GNN models.
Novel CG-EGNNs learn equivariant functions from Clifford algebras.
problem Lack of equivariance in high-order graph neural networks.
method Integrates high-order local structures with Clifford algebras for equivariant learning.
result CG-EGNNs outperform previous methods on various benchmarks.
Matrix completion models are among the most common formulations of recommender systems. Recent works have showed a boost of performance of these techniques when introducing the pairwise relationships between users/items in the form of graphs, and imposing smoothness priors on these graphs. However, such techniques do n…
Generative Adversarial Graph Neural Network (Sig-Graph GAN) models financial time series data.
problem Challenges in generating synthetic data for non-stationary financial time series.
method Integrates time-series signature, LSTM, and GNNs with visibility graph algorithm.
result Sig-Graph GAN outperforms baseline methods in replicating time series data distributions.
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.
Geometric GNNs model 3D atomic systems with rotations and translations.
problem Modeling 3D atomic systems with geometric graphs and machine learning.
method Invariant, equivariant, and unconstrained GNN architectures.
result Geometric GNNs leverage physical symmetries and chemical properties.
Geometric vector perceptrons improve protein structure learning.
problem Learning from protein structure with efficient and natural representations.
method Introducing geometric vector perceptrons to extend dense layers for Euclidean vectors, integrating geometric and relational reasoning.
result Improves model quality assessment and computational protein design over existing methods.
Scattering GCN improves graph neural networks by filtering oversmoothing.
problem Oversmoothing in GCNs limits their ability to distinguish graph nodes.
method Augmenting GCNs with geometric scattering transforms and residual convolutions.
result Scattering GCN outperforms GAT in semi-supervised node classification.
Proposes SE(3) equivariant graph neural networks with local frames for efficient geometric approximation.
problem Equivariance in deep learning for arbitrary transformations, especially in physics.
method Introduces SE(3) equivariant graph neural networks with complete local frames to efficiently approximate geometric quantities.
result Achieves best or competitive performance in Newton mechanics modeling and equilibrium molecule conformation generation.
Optimizes graph neural networks using natural gradient descent.
problem Improving efficiency and performance of graph neural networks.
method Employing natural gradient descent to optimize graph neural networks.
result Natural gradient optimization leads to superior performance compared to existing methods.
Steerable E(3) Graph Neural Networks incorporate geometric and physical covariant information.
problem Incorporating covariant information like position, force, velocity, or spin in graph neural networks.
method Steerable E(3) Equivariant Graph Neural Networks (SEGNNs) that use steerable MLPs to incorporate geometric and physical covariant information.
result SEGNNs improve upon classic linear point convolutions and recent equivariant graph networks that send invariant messages.
Tasks involving the analysis of geometric (graph- and manifold-structured) data have recently gained prominence in the machine learning community, giving birth to a rapidly developing field of geometric deep learning. In this work, we leverage graph neural networks to improve signal detection in the IceCube neutrino ob…
Graph Neural Networks solve topology problems in simple 3D models.
problem Deciding homeomorphism of 3-manifolds described by plumbing graphs.
method Supervised and reinforcement learning with Graph Neural Networks.
result High accuracy in determining homeomorphic 3-manifolds.
Proposes Isometric Graph Neural Networks to preserve graph distances.
problem Lack of faithful distance representation in graph neural networks.
method Introduces a new technique to modify GNNs' input space and loss function.
result Significant improvement in reflecting graph distances, as measured by KT.
Researchers extend ResNets to Riemannian manifolds, improving performance over existing methods.
problem Learning on Riemannian manifolds, especially for hierarchical graphs and manifold-valued data.
method Geometrically principled extension of ResNets to general Riemannian manifolds.
result Riemannian ResNets outperform existing manifold neural networks in relevant metrics and training dynamics.
BGNNs model particle-boundary interactions efficiently.
problem Efficiently modeling geometric boundaries in 3D simulations.
method Introduce Boundary Graph Neural Networks (BGNNs) to dynamically modify graph structures.
result BGNNs accurately reproduce 3D granular flows without handcrafted conditions.
Learning from graph-structured data is an important task in machine learning and artificial intelligence, for which Graph Neural Networks (GNNs) have shown great promise. Motivated by recent advances in geometric representation learning, we propose a novel GNN architecture for learning representations on Riemannian man…
A new hybrid GNN framework tackles oversmoothing in graph data.
problem Oversmoothing in graph convolutional networks limits their expressive power and generalization.
method Combines traditional GCN filters with band-pass filters defined via geometric scattering and introduces an attention framework.
result Improves expressive power and generalization of graph convolutional networks.
SpatialSim benchmarks machine learning in recognizing object spatial configurations.
problem Machine learning in recognizing precise geometrical configurations of groups of objects.
method SpatialSim benchmark with tasks of Identification and Comparison, using Graph Neural Networks (MPGNNs).
result MPGNNs outperform baselines in recognizing spatial configurations, highlighting current limits.
A new model for multiview data analysis using graph autoencoders.
problem Nonlinear multiview canonical correlation analysis for large datasets.
method Variational approach with graph convolutional neural networks.
result Competitive performance on classification, clustering, and recommendation tasks.
New optimization algorithms on orthogonal group for machine learning.
problem Efficient optimization on the orthogonal group for machine learning tasks.
method Stochastic geometric algorithms on Lie groups.
result Strong performance on diverse machine learning tasks.
Fairness-aware diffusion for graph neural networks
problem Fairness in graph neural networks
method Adapting diffusion process with fairness-aware modifications
result Improves fairness metrics with minimal additional cost
GATs improve node regression on noisy graphs with provable advantage.
problem Improving node regression on graphs with noisy covariates and edges.
method Proposes a GAT designed for denoising proxy features in node regression.
result GAT achieves lower error in estimating regression coefficient and predicting responses.
Proposes local coordinate frames for improving model performance in complex dynamical systems.
problem Improving model performance in complex, non-linear, and time-dependent dynamical systems.
method Introduces roto-translation invariant local coordinate frames for geometric graphs.
result The approach outperforms state-of-the-art models in various complex scenarios.
Sign equivariant networks improve model expressiveness for spectral geometric learning.
problem Limited expressiveness of sign invariant models for tasks like graph link prediction.
method Developed sign equivariant neural network architectures based on new analytic sign equivariant polynomials.
result Sign equivariant models achieve theoretical benefits in spectral geometric learning tasks.
GCPNet improves molecular graph learning for protein structure and binding.
problem Learning from 3D molecular graphs for protein structure and binding.
method SE(3)-equivariant graph neural network for 3D molecular graphs.
result GCPNet achieves state-of-the-art performance in multiple molecular tasks.
Paper proposes LCP for structural encodings, outperforming existing methods.
problem Improving Graph Neural Networks performance through effective structural encodings.
method Geometric perspective, Local Curvature Profiles (LCP) for structural encodings, combining with global positional encodings, comparing with rewiring techniques.
result LCP significantly outperforms existing structural encodings and combining LCP with global positional encodings improves performance.
Quantum GNNs outperform classical GNNs in jet tagging.
problem Classifying partons initiating jets from high-energy particle collisions.
method Comparison of classical and quantum GNNs and their equivariant counterparts.
result Quantum GNNs outperformed classical GNNs in binary classification tasks.
A new graph model HMG and neural network HMGNN improve molecule property predictions.
problem Predicting quantum mechanical properties of molecules with limited consideration of many-body interactions.
method Introducing heterogeneous molecular graphs (HMG) and building HMGNN on neural message passing scheme.
result HMGNN achieves state-of-the-art performance in 9 out of 12 tasks on the QM9 dataset.
MPMC generates low-discrepancy points using graph neural networks.
problem Generating efficient low-discrepancy point sets.
method Leveraging Graph Neural Networks to model geometric properties.
result Achieves state-of-the-art performance in generating low-discrepancy points.
The Euclidean scattering transform was introduced nearly a decade ago to improve the mathematical understanding of convolutional neural networks. Inspired by recent interest in geometric deep learning, which aims to generalize convolutional neural networks to manifold and graph-structured domains, we define a geometric…
GemNet improves molecular predictions by overcoming graph neural network limitations.
problem Graph neural networks struggle with distinguishing certain types of molecular graphs.
method Discretized geometric message passing neural network (GemNet) with spherical representations.
result GemNet outperforms previous models on molecular datasets by 34-20%.
Rewiring networks using discrete geometry improves GNN training accuracy and reduces runtime.
problem Inefficient information propagation between distant nodes in graph neural networks.
method Discrete analogues of classical geometric curvature to model and rewire networks.
result Classical geometric notions achieve state-of-the-art GNN training accuracy and significantly reduce runtime.
Sheaf Neural Networks improve graph learning with geometric insights.
problem Graph heterophily and over-smoothing issues.
method Inspired by Riemannian geometry, computes sheaves using orthogonal maps.
result Achieves promising results with reduced computational overhead.
Graph neural networks improve charged particle tracking on FPGAs.
problem Charged particle trajectory determination in high interaction density conditions.
method Graph neural networks (GNNs) embedded in tracker data as graphs, classifying edges as track segments.
result GNNs implemented on FPGAs for charged particle tracking, enabling future HL-LHC experiments.
GMT improves interpretability of XGNNs by approximating SubMT.
problem Limited understanding of existing interpretable subgraph learning methods.
method Formulated subgraph multilinear extension (SubMT) and designed GMT architecture.
result GMT outperforms state-of-the-art in both interpretability and generalizability.
Paper introduces a new metric to select optimal Graph Shift Operator for GNNs.
problem Empirical selection of Graph Shift Operator remains challenging.
method Introduces a novel alignment gain metric connecting geometric distortion to generalization bounds via spectral proxy.
result Provides a principled, computation-efficient criterion to rank and select optimal GSO.