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.
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.
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.
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.
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 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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
New framework for estimating treatment effects in experiments with network interference.
problem Network interference biases traditional treatment effect estimations in randomized experiments.
method Causal message-passing framework based on high-dimensional approximate message passing.
result Practical algorithm to estimate total treatment effect in multi-period experiments.
BankGCN improves graph convolution networks by handling multi-channel signals with adaptive filter banks.
problem Handling multi-channel graph signals with limited architectures.
method BankGCN decomposes multi-channel signals into subspaces and uses adapted filters for each subspace.
result BankGCN achieves excellent performance in graph classification on benchmark datasets.
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.
Recent efforts on combining deep models with probabilistic graphical models are promising in providing flexible models that are also easy to interpret. We propose a variational message-passing algorithm for variational inference in such models. We make three contributions. First, we propose structured inference network…
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.
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.
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.
A new method detects communities in multi-relational networks.
problem Detect communities in heterogeneous multi-relational networks.
method Message passing based algorithm on a hierarchical structure of homogeneous networks.
result Effectiveness of the proposed method confirmed on synthetic and real-world networks.
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.
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.
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. 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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
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.
TGR rewires temporal graphs to improve TGNN performance.
problem Temporal graphs in evolving networks can suffer from under-reaching and over-squashing issues.
method TGR uses expander graph propagation to create message-passing highways between temporally distant nodes.
result TGR achieves state-of-the-art results on temporal graph benchmarks.
Graph neural networks improve with affinity measures from random walks.
problem Limited expressivity of GNNs due to small receptive field.
method Introduced affinity measures from random walks into GNNs.
result Affinity measures enhance GNN performance on various tasks.
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.
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%.
EEGNN improves graph neural networks by enhancing graph structure.
problem Mis-simplification of graphs by removing self-loops and unweighted edges reduces GNN performance.
method Proposes EEGNN framework using DMPGM for better graph structural information.
result EEGNN achieves significant performance improvement over baselines.
It is difficult to quantify structure-property relationships and to identify structural features of complex materials. The characterization of amorphous materials is especially challenging because their lack of long-range order makes it difficult to define structural metrics. In this work, we apply deep learning algori…
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.
Tree-AMP simplifies inference in complex tree-structured models.
problem Inference in high-dimensional tree-structured models.
method Approximate Message Passing algorithms for various machine learning tasks.
result Theoretical performance predictions and automated entropy estimation.