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.
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.
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.
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.
Study compares hypergraph and graph-level models for higher-order relational learning.
problem Evaluating effectiveness of hypergraph-level vs. graph-level models in relational learning.
method Systematic evaluation of various hypergraph and graph-level architectures.
result Graph-level models applied to hypergraph expansions outperform hypergraph-level models.
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.
Novel higher-order group synchronization for noisy local measurements on hypergraphs.
problem Synchronizing higher-order local measurements on hyperedges to global estimates on nodes.
method Message passing algorithm for global synchronization of higher-order measurements.
result Higher-order method outperforms standard pairwise synchronization methods in certain applications.
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.
Neural network learns from higher-order connections in molecules.
problem Graph neural networks fail to account for local and hidden structures in graphs.
method Developed a neural network that can pass messages and aggregate information across higher-order paths.
result The model improves molecular property prediction.
Generative model designs highly designable proteins using geometric algebra.
problem Creating proteins with diverse and statistically accurate secondary structures.
method Introduced a geometric algebra flow matching model (FrameFlow) with Clifford Frame Attention (CFA) for protein backbone design.
result Achieved high designability, diversity, and novelty in protein backbone sampling.
MPNNs struggle with class-bottlenecks and heterophily, leading to performance limitations.
problem Performance limitations of MPNNs under heterophily and structural bottlenecks.
method A statistical framework decomposing model performance into SNR components and proving bounds on sensitivity.
result Optimal graph structures for maximizing higher-order homophily are disjoint unions of single-class and two-class-bipartite clusters.
New architectures improve topological deep learning's ability to capture complex data features.
problem Current TDL architectures struggle with fundamental topological and metric invariants.
method Developed multi-cellular networks (MCN) and scalable MCN (SMCN) to enhance expressivity.
result SMCN outperforms HOMP and expressive graph methods in learning topological properties.
Combines neural networks and probabilistic graphical models for efficient higher-order inference.
problem Lack of efficient higher-order relational information in graph neural networks and probabilistic graphical models.
method Derives efficient approximate sum-product loopy belief propagation for higher-order PGMs, embeds into neural network, proposes methods for constructing higher-order factors.
result Substantially outperforms state-of-the-art k-order graph neural networks in molecular datasets.
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.
Improves hypergraph link prediction by breaking symmetry.
problem Limited expressivity of GWL-1 algorithm in hypergraph link prediction.
method Preprocessing algorithm to identify and replace symmetry-inducing subhypergraphs with covering hyperedges.
result Improves expressivity of GWL-1, leading to better link prediction.
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.
HYPA-DBGNN detects anomalous sequential patterns in temporal graphs.
problem Modeling temporal patterns in dynamic graphs, especially considering deviations from random shuffling.
method Two-step approach combining null model inference and neural message passing.
result HYPA-DBGNN outperforms baseline methods in static node classification tasks.
New method estimates treatment effects in complex interference settings.
problem Challenges in estimating treatment effects due to unknown interference.
method Higher-order causal message passing for non-linear feature learning.
result Effective estimation of treatment effect dynamics in complex interference.
GNNs learn graph representations, with new theory on their power and limitations.
problem Understanding the capabilities and limitations of GNNs.
method Theoretical analysis of GNNs, focusing on approximation and learning properties.
result New insights into the representation, generalization, and extrapolation of GNNs.
There have been several spectral bounds for the percolation transition in networks, using spectrum of matrices associated with the network such as the adjacency matrix and the non-backtracking matrix. However they are far from being tight when the network is sparse and displays clustering or transitivity, which is repr…
TopoNTK kernel captures higher-order interactions in simplicial complexes.
problem Graph neural networks miss higher-order interactions in relational systems.
method Introduces TopoNTK, an infinite-width kernel for simplicial message passing.
result TopoNTK captures topology invisible to graph kernels, improving expressivity and interpretability.
A new deep learning framework for topological data.
problem Developing models for data on complex topological domains.
method Introducing combinatorial complexes and developing attention-based CCNNs.
result CCNNs outperform existing models in tasks involving mesh shape analysis and graph learning.
New tensor framework connects Fisher information, hypergraphs, and multi-observable correlations.
problem Missing structure in pairwise Fisher graphs for multi-observable radiation patterns.
method Higher-order Fisher tensors and natural exponential-family coordinates.
result Exact triality of Fisher tensors, cumulants, and hypergraphs.
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.
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.
ISP improves GNN expressivity by stratifying nodes based on graph invariants.
problem Graph Neural Networks struggle with expressivity and structural heterogeneity.
method Invariant-Stratified Propagation (ISP) using ISP-WL and ISPGNN.
result ISP achieves enhanced expressivity beyond 1-WL, with theoretical guarantees and practical improvements.
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.
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.
For the tensor PCA (principal component analysis) problem, we propose a new hierarchy of increasingly powerful algorithms with increasing runtime. Our hierarchy is analogous to the sum-of-squares (SOS) hierarchy but is instead inspired by statistical physics and related algorithms such as belief propagation and AMP (ap…
Often, large, high dimensional datasets collected across multiple modalities can be organized as a higher order tensor. Low-rank tensor decomposition then arises as a powerful and widely used tool to discover simple low dimensional structures underlying such data. However, we currently lack a theoretical understanding …
HyperSAGE learns node representations in hypergraphs without losing information.
problem Learning node representations in hypergraphs is complex due to higher-order relations.
method Two-level neural message passing strategy for accurate information propagation.
result HyperSAGE outperforms state-of-the-art methods on benchmark datasets.
New distribution simplifies covariance matrix inference.
problem Efficient inference for covariance matrices in large models.
method Incorporates Inverse G-Wishart distribution for variational message passing.
result Elegant and succinct expression of variational message passing fragments.
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.
Agent uses message passing to optimize robot navigation, balancing exploration and exploitation.
problem Optimizing robot navigation in continuous-valued spaces with uncertainty.
method Autoregressive active inference agent using message passing on a factor graph.
result Agent modulates action based on predictive uncertainty, leading to better model of dynamics.
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.
Factor graphs have recently gained increasing attention as a unified framework for representing and constructing algorithms for signal processing, estimation, and control. One capability that does not seem to be well explored within the factor graph tool kit is the ability to handle deterministic nonlinear transformati…
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.
Convex message passing algorithms converge to a fixed point.
problem Understanding convergence properties of convex message passing methods.
method Proving convergence of coordinate descent applied to piecewise-affine convex objectives, and showing this applies to various message passing methods.
result The iterates converge to a fixed point of the method, and the algorithm terminates in a known number of iterations.
New algorithms accelerate MAP inference in Markov fields with faster convergence.
problem Finding the most likely configuration in discrete-valued Markov random fields.
method Entropy-regularized linear programming with accelerated gradient methods.
result Accelerated algorithms find optimal solutions faster, especially when the LP is tight.
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.
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.
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.
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.
Proposes a new method for predicting missing relations in knowledge graphs.
problem Predicting missing relations between entities in knowledge graphs.
method Relational message passing method considering only edge features without entity IDs.
result PathCon method outperforms state-of-the-art methods significantly.
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.
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.
Analyze message passing algorithms using free probability theory.
problem Dynamics of message passing algorithms for probabilistic models.
method Use freeness assumptions of random matrix theory.
result Recover and analyze properties of message passing algorithms.
Develops a Gaussian-based message-passing algorithm for noisy matrix completion.
problem Noisy matrix completion problems.
method Gaussian parameterized belief propagation algorithm.
result Advantages over traditional methods in non-Gaussian noise scenarios.