Message passing is the key to graph neural networks, but new terms are needed to avoid confusion.
problem Current methods of graph neural networks cannot solve all problems over given input graphs.
method Demonstrates that any function of interest can be expressed using pairwise message passing over a modified graph.
result Message passing is the fundamental approach for graph neural networks, and new terms are needed to avoid confusion.
Study on convergence of graph neural networks on random graphs.
problem Convergence of message passing graph neural networks on large random graphs.
method Extended convergence results to a broad class of aggregation functions using McDiarmid inequality.
result Non-asymptotic bounds for convergence quantified with high probability.
MPLP learns neural network weights by treating operations as message-passing agents.
problem Training neural networks using gradient-based methods.
method MPLP abstracts neural network operations as message-passing agents, updating internal states and passing messages.
result MPLP outperforms traditional gradient-based methods on simple feed-forward neural networks.
ADMP-GNN dynamically adjusts message-passing layers for better graph learning performance.
problem Fixed message-passing steps in GNNs do not account for nodes' varying computational needs.
method Proposes ADMP-GNN, which dynamically adjusts the number of message-passing layers for each node.
result Improves performance on node classification tasks compared to baseline GNN models.
New method explains GNNs using power iteration clustering.
problem Mysterious mechanism of message passing in GNNs.
method Subspace power iteration clustering (SPIC) models.
result Message passing in GNNs can be understood through power iteration.
Introduces P-tensors for generalized higher-order message passing in graph neural networks.
problem Expanding the expressive power of graph neural networks through higher-order structures.
method Introduces P-tensors to define the most general form of permutation equivariant message passing.
result Achieves state-of-the-art performance on molecular datasets.
New graph coarsening method preserves GNN message-passing signals.
problem Preserving GNN message-passing on coarsened graphs.
method Proposed a new oriented message-passing operation for coarsened graphs.
result Improved node classification results compared to naive methods.
DimeNet uses directional message passing to improve molecular predictions.
problem Lack of directional information in graph neural networks for molecules.
method Directional message passing, rotationally equivariant embeddings, spherical functions.
result DimeNet outperforms previous GNNs by 76% on MD17 and 31% on QM9.
MACE uses higher-order messages to create fast, accurate force fields.
problem Creating fast and accurate force fields in computational chemistry and materials science.
method Introducing MACE, an equivariant MPNN model that uses four-body messages.
result MACE reduces the required number of message passing iterations to just two, achieving state-of-the-art accuracy.
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.
Novel neural network solves PDEs with multi-scale resolution.
problem Solving time-dependent PDEs with varying spatial and temporal scales.
method Multi-scale message passing neural network with temporal and spatial gating modules.
result Outperforms baselines on PDEs with diverse scales.
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.
The paper sets limits for GNNs solving PDEs to avoid under-reaching phenomenon.
problem Under-reaching phenomenon in GNNs solving PDEs.
method Sharp lower bounds for message-passing iterations based on PDE characteristics.
result Proposed lower bounds ensure efficient information propagation in GNNs.
Topo-MLP learns network representations without message passing.
problem Lack of efficient higher-order network modeling methods.
method Proposes Topo-MLP, a simplicial neural network algorithm using MLP and HONC loss.
result Demonstrates improved robustness and efficiency in representation learning.
A new neural network model for molecular graphs that learns efficiently and accurately.
problem Learning on molecular graphs with cycles and complex structures.
method Hierarchical inter-message passing using raw graph and junction tree representations.
result The model outperforms classical GNNs in detecting cycles and is efficient to train.
PushNet efficiently and adaptively pushes messages in neural networks, improving performance.
problem Inefficient and inflexible synchronous message passing in neural networks.
method Asynchronous message passing with adaptive receptive fields and multiple scale correlations.
result PushNet outperforms competitors in semi-supervised node classification on multiple datasets.
Combines PCA and message passing for better graph node embeddings.
problem Challenges of learning long-range dependencies in graph data.
method PCAPass: PCA + message passing for unsupervised node embeddings.
result Empirically shows competitive performance on node classification benchmarks.
Paper interprets contrastive learning dynamics using message passing.
problem Lack of rigorous understanding of contrastive learning dynamics.
method Casts contrastive objective into message passing scheme on augmentation graph.
result The learning dynamics of contrastive learning can be theoretically characterized.
DRew dynamically rewires message passing to improve long-range tasks.
problem Over-squashing in MPNNs due to local message passing.
method Layer-dependent rewiring and delay mechanism for gradual densification.
result DRew outperforms graph Transformers and multi-hop MPNNs on long-range tasks.
Introduces Spectral Graph Network combining spatial and spectral message passing.
problem Relational reasoning in graph structured data.
method Applies message passing to both spatial and spectral domains of a graph.
result Promotes efficient training with fewer iterations and robustness to edge dropout.
A training-free message passing module improves hypergraph neural networks.
problem Computational intensive training process in hypergraph neural networks.
method Decoupling hypergraph structural information from model learning stage.
result TF-HNN achieves superior performance and training efficiency.
MPNPs use message passing to exploit relational structure in stochastic processes.
problem Lack of relational information in NPs limits their effectiveness in tasks with neighborhood rules.
method Introduce MPNPs that explicitly use relational structure through message passing.
result MPNPs outperform NPs in tasks with relational information, showing significant gains in few-shot learning.
Graph hypernetworks improve molecule property prediction and classification.
problem Improving molecule property prediction and classification using graph neural networks.
method Replacing underlying networks with hypernetworks and addressing training instability.
result Demonstrated state-of-the-art performance in various benchmarks.
Gradient Gating improves deep GNNs by modulating message passing updates.
problem Oversmoothing and performance degradation in deep GNNs.
method Gradient gating mechanism for multi-rate message passing.
result G2 framework alleviates oversmoothing and achieves state-of-the-art performance. Optimal graph classification uses message-passing neural networks.
problem Node classification on sparse graphs with fixed feature dimensions.
method Asymptotic local Bayes optimality, message-passing graph neural networks.
result Optimal message-passing architecture interpolates between MLP and convolution.
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.
Chance-constrained ActInf allows for small violations of constraints to drive goal-directed behavior.
problem Goal-directed behavior constrained by prior beliefs.
method Introducing chance constraints to ActInf, allowing for small violations of constraints.
result Chance-constrained ActInf allows for a trade-off between robust control and chance constraint violation.
HGNet improves GNNs' ability to handle long-range interactions in graphs.
problem Insufficiency of GNNs in capturing long-range interactions.
method Introduces hierarchical message passing models with multi-resolution graph representations.
result HGNet outperforms conventional GNNs in molecular property prediction.
XIMP improves molecular property prediction by integrating multiple graph representations.
problem Graph neural networks struggle in data-scarce regimes and fail to surpass traditional methods.
method Cross-graph inter-message passing with multiple graph abstractions.
result XIMP outperforms state-of-the-art baselines across diverse molecular property tasks.
We analyze oversquashing in topological message-passing using relational structures.
problem Oversquashing in topological message-passing remains understudied.
method A unifying axiomatic framework that bridges graph and topological message-passing.
result Potential to advance topological deep learning.
Rich and complex time-series data, such as those generated from engineering systems, financial markets, videos or neural recordings, are now a common feature of modern data analysis. Explaining the phenomena underlying these diverse data sets requires flexible and accurate models. In this paper, we promote Gaussian pro…
MPNNs over-squash distant node information, study shows.
problem Over-squashing in MPNNs where node features ignore distant nodes.
method Theoretical analysis of MPNNs' over-squashing, focusing on width, depth, and graph topology.
result Width mitigates over-squashing but makes network more sensitive, depth doesn't help, graph topology is key.
Neural message passing on molecular graphs is one of the most promising methods for predicting formation energy and other properties of molecules and materials. In this work we extend the neural message passing model with an edge update network which allows the information exchanged between atoms to depend on the hidde…
Proposes CXNs for neural network computations on cell complexes.
problem Performing neural network computations on complex topological spaces.
method Introduces a message passing scheme and a unified encoder-decoder framework for cell complexes.
result Generalizes message passing to cell complexes and provides a cell2vec representation.
New algorithms improve binary neural network configurations.
problem Training binary neural networks efficiently.
method Stochastic message passing algorithms (BP and SP) for discrete inference.
result Stochastic BP and SP find better BNN configurations.
Novel graph neural network combines random walks with local message passing.
problem Graph neural networks struggle with long-range dependencies.
method Combines random walks with local message passing in a novel architecture.
result Significant performance improvements on graph benchmarks.
Adapts BP-based algorithms for deep learning, improving performance and accuracy.
problem Training deep neural networks with discrete weights and activations.
method Message-passing algorithms based on Belief Propagation, with reinforcement field.
result Comparable performance to SGD-inspired heuristics (BinaryNet) and higher accuracy in predictions.
New method handles structural uncertainty in graphs better than existing models.
problem Handling heterophily and structural noise in semi-supervised learning on graphs.
method Sparse signed message passing network that models a posterior distribution over signed adjacency matrices.
result Our method outperforms strong baseline models on heterophilic benchmarks under both synthetic and real-world structural noise.
Causal inference improves heterophilic graph learning.
problem Capturing asymmetric node dependencies in graph learning.
method Intervention-based causal inference for graph structure learning.
result CausalMP achieves superior link prediction performance.
DYMAG uses dynamic waveforms to improve graph neural networks.
problem Improving graph neural networks for better graph understanding.
method DYMAG employs dynamical system-based waveforms for message aggregation in graph neural networks.
result DYMAG outperforms baseline models in graph recovery, property prediction, and random graph generation.
This thesis explores GNNs, categorizing them into local and global approaches.
problem Understanding the convergence of global GNNs and connecting local and global approaches.
method Categorization of GNNs into local and global, study of Invariant Graph Networks, connecting local and global approaches, and using local MPNN for graph coarsening.
result Established a connection between local and global GNN approaches.
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.
This work proposes a geometric approach to equivariant message passing on Riemannian manifolds.
problem Efficiently processing data on Riemannian manifolds with equivariance.
method Geometric insight into equivariant message passing on Riemannian manifolds, using an equivariant embedding and diffusion process.
result A new class of equivariant GNNs on Riemannian manifolds.
A neural architecture learns and refines graph correspondences.
problem Learning structural correspondences between graphs.
method Two-stage neural architecture: node embeddings followed by message passing networks.
result Message passing scheme computes well-founded consensus for corresponding neighborhoods.
A new GNM model outperforms MLP for tabular data.
problem Learning with tabular data.
method Proposes Graph Neural Machine (GNM) replacing MLP's graph representation with a nearly complete graph and using synchronous message passing.
result GNM outperforms MLP in classification and regression tasks.
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 research limits what GNNs can compute and generalizes their performance.
problem Limits of GNNs in computing graph properties and generalization bounds.
method Novel graph-theoretic formalism and data-dependent generalization bounds.
result Proves GNNs can't compute certain graph properties and provides tighter generalization bounds.
PMP extends GNNs to handle past states efficiently.
problem Efficient querying of data structures dependent on previous states.
method Persistent Message Passing (PMP) which persists past states through new nodes.
result Significantly outperforms GNNs in handling out-of-distribution data.