This article is motivated by soccer positional passing networks collected across multiple games. We refer to these data as replicated spatial passing networks---to accurately model such data it is necessary to take into account the spatial positions of the passer and receiver for each passing event. This spatial regist…
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.
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.
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.
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.
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.
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.
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.
A guide to using low-pass graph filters for network data.
problem Understanding and processing graph data with low-pass filters.
method Definition and application of low-pass graph filters to graph data.
result Low-pass filters effectively retain lower frequency graph data contents.
Single-pass method estimates neural network uncertainty.
problem Uncertainty estimation in deep learning requires multiple passes.
method Probabilistic reasoning over neural network depths.
result Single forward pass for uncertainty estimation.
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.
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.
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.
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.
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.
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.
Unified framework for training SNNs using EP, faster convergence.
problem Training spiking neural networks with Expectation-Propagation.
method Message-passing framework for learning marginal distributions of SNN parameters.
result Faster convergence compared to gradient-based methods.
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.
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…
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.
As deep neural networks are increasingly being deployed in practice, their efficiency has become an important issue. While there are compression techniques for reducing the network's size, energy consumption and computational requirement, they only demonstrate empirically that there is no loss of accuracy, but lack for…
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.
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.
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.
PFP-BNNs offer a fast, deterministic approach to Bayesian neural networks.
problem Limited uncertainty handling in traditional neural networks restricts their use in safety-critical settings.
method Probabilistic Forward Pass (PFP) approximates Stochastic Variational Inference (SVI) for efficient BNNs.
result PFP-BNNs achieve up to 4200x speedup over SVI-BNNs while maintaining similar accuracy and uncertainty.
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.
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.
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.
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.
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.
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.
New p-Laplacian GNN model tackles heterophilic graphs by improving node classification.
problem Heterophilic graphs where node labels differ, leading to poor GNN performance.
method Proposes p-Laplacian GNN model with a new message passing mechanism derived from discrete regularization. result Significantly outperforms state-of-the-art GNNs on heterophilic benchmarks.
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.
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. Neural networks offer high-accuracy solutions to a range of problems, but are costly to run in production systems because of computational and memory requirements during a forward pass. Given a trained network, we propose a techique called Deep Learning Approximation to build a faster network in a tiny fraction of the …
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.
We reduce training time in convolutional networks (CNNs) with a method that, for some of the mini-batches: a) scales down the resolution of input images via downsampling, and b) reduces the forward pass operations via pooling on the convolution filters. Training is performed in an interleaved fashion; some batches unde…
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.
Two-layer networks learn faster with batch reuse, overcoming information and leap exponents.
problem Limitations of gradient flow and single-pass GD in learning multi-index target functions.
method Multi-pass gradient descent that reuses batches, analyzed using Dynamical Mean-Field Theory.
result Two-time-step overlap with target subspace for non-staircase functions, overcoming information and leap exponents.
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.
One-pass SGD converges in overparametrized neural networks with random data.
problem Understanding convergence of SGD in neural networks with streaming data.
method Overparameterized two-layer neural networks, one-pass SGD, random initialization, NTK eigen-decomposition, VC dimension, McDiarmid's inequality.
result Prediction error converges in expectation under one-pass SGD in overparametrized neural networks.
Flowification enriches neural networks with an inverse pass and likelihood monitoring.
problem Neural networks lack an inverse pass and likelihood monitoring, limiting their generative capabilities.
method Introduce flowification, enriching neural networks with a stochastic inverse pass and likelihood monitoring.
result Certain neural network architectures can be enriched to fall under the generalized notion of a normalizing flow.
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.
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.