Neighborhood sampling affects graph neural network training outcomes.
problem Understanding the impact of neighborhood sampling on graph neural network training.
method Theoretical analysis using neural tangent kernels and Gaussian processes.
result Posterior covariance differs for different neighborhood sampling approaches, indicating no dominant approach.
Revises GNN neighborhood aggregation for more accurate node classification.
problem Flaws in benchmark GNN models for node classification.
method Statistical signal processing approach to neighborhood aggregation.
result Novel insights for designing more efficient GNN models.
Learning graph-structured data with graph neural networks (GNNs) has been recently emerging as an important field because of its wide applicability in bioinformatics, chemoinformatics, social network analysis and data mining. Recent GNN algorithms are based on neural message passing, which enables GNNs to integrate loc…
We propose a dynamic neighborhood aggregation (DNA) procedure guided by (multi-head) attention for representation learning on graphs. In contrast to current graph neural networks which follow a simple neighborhood aggregation scheme, our DNA procedure allows for a selective and node-adaptive aggregation of neighboring …
Many prediction problems can be phrased as inferences over local neighborhoods of graphs. The graph represents the interaction between entities, and the neighborhood of each entity contains information that allows the inferences or predictions. We present an approach for applying machine learning directly to such graph…
As an efficient and scalable graph neural network, GraphSAGE has enabled an inductive capability for inferring unseen nodes or graphs by aggregating subsampled local neighborhoods and by learning in a mini-batch gradient descent fashion. The neighborhood sampling used in GraphSAGE is effective in order to improve compu…
A new GNN model SPIN achieves state-of-the-art performance on diverse real-world datasets.
problem Graph classification efficiency and accuracy.
method Parallel neighborhood aggregations (PA-GNNs) and SPIN model.
result SPIN model achieves state-of-the-art performance on diverse real-world datasets.
Urban2Vec combines street view imagery and POIs for better urban neighborhood embeddings.
problem Lack of comprehensive representation of urban neighborhoods using heterogeneous data.
method Unsupervised multi-modal framework using CNN for visual features and bag-of-words for POI data.
result Urban2Vec achieves better performance than baseline models and comparable to fully-supervised methods.
Existing popular methods for semi-supervised learning with Graph Neural Networks (such as the Graph Convolutional Network) provably cannot learn a general class of neighborhood mixing relationships. To address this weakness, we propose a new model, MixHop, that can learn these relationships, including difference operat…
Proposes NRS to find flat minima in deep neural networks.
problem Finding optimal solutions in deep neural networks with overparameterization.
method NRS leverages the concept of flat minima and uses Kullback-Leibler divergence to regularize the neighborhood region in weight space.
result NRS drives optimizers towards flat minima, improving generalization ability across various model architectures.
Develops GNNs for incomplete graphs, improving learning from missing node attributes.
problem Learning from incomplete graphs with missing node attributes.
method Introduces PaGNNs with novel partial aggregation functions for incomplete graph data.
result Demonstrates effectiveness and efficiency of PaGNNs on various datasets.
GCNs learn by embedding similar nodes within a class and leveraging consistent neighborhood structures.
problem Understanding how GCNs perform semi-supervised node classification on both homophilous and heterophilous graphs.
method Investigated the latent node embeddings and neighborhood structures of GCNs.
result GCNs learn by embedding similar nodes within a class and leveraging consistent neighborhood structures.
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.
Convolutional neural networks (CNNs) can be applied to graph similarity matching, in which case they are called graph CNNs. Graph CNNs are attracting increasing attention due to their effectiveness and efficiency. However, the existing convolution approaches focus only on regular data forms and require the transfer of …
A new classifier encodes local neighborhoods for each class using Fly Bloom Filters.
problem Efficiently classify data with single-pass learning.
method Proposes a new classifier that encodes local neighborhoods for each class with per-class Fly Bloom Filters.
result The proposed classifier's performance is competitive with nearest-neighbor classifiers and other single-pass classifiers.
NCP improves deep classifier uncertainty quantification efficiency.
problem Uncertainty quantification for deep classifiers in high-stake applications.
method Neighborhood Conformal Prediction (NCP) algorithm.
result NCP produces smaller prediction sets than traditional CP methods.
The paper studies neural networks' convergence near origin and saddle points.
problem Directional convergence of neural networks near small initializations and saddle points.
method Gradient flow dynamics analysis of two-homogeneous neural networks.
result Neural networks' weights approximately converge in direction to KKT points for small initializations.
Improved RL for knowledge graph reasoning with entity types.
problem Challenges in path-based relational reasoning over knowledge graphs.
method Type-enhanced RL agent using GNN for neighborhood information.
result Outperforms state-of-the-art RL methods and discovers novel paths.
A novel feature representation method for non-image based features.
problem Inability of Convolutional Neural Networks for non-image based features or features without spatial correlations.
method REFINED: Representation of Features as Images with Neighborhood Dependencies.
result Higher prediction accuracy compared to existing methodologies.
VisitHGNN predicts visit probabilities between neighborhoods and POIs using graph neural networks.
problem Estimating visit probabilities between neighborhoods and POIs for urban planning.
method Heterogeneous, relation-specific graph neural network (VisitHGNN) trained on mobility data.
result Strong predictive performance with high fidelity to observed travel behavior.
The past decade has witnessed a successful application of deep learning to solving many challenging problems in machine learning and artificial intelligence. However, the loss functions of deep neural networks (especially nonlinear networks) are still far from being well understood from a theoretical aspect. In this pa…
A new graph neural network tackles oversmoothing and generalization issues.
problem Oversmoothing and poor generalization for unseen graphs in graph neural networks.
method Graph Entities with Step Mixture via random walk (GESM) that considers both edge-based and node-based features.
result GESM achieves state-of-the-art or comparable performances on benchmark datasets.
A new method for training GNNs without a teacher model.
problem Training over-parameterized GNN models is difficult and inefficient.
method GNN Self-Distillation (GNN-SD) with NDR and ADR.
result Improves GNN performance with less training cost and better generalization.
Neural message passing algorithms for semi-supervised classification on graphs have recently achieved great success. However, for classifying a node these methods only consider nodes that are a few propagation steps away and the size of this utilized neighborhood is hard to extend. In this paper, we use the relationshi…
Spectral analysis of neighborhood graphs is one of the most widely used techniques for exploratory data analysis, with applications ranging from machine learning to social sciences. In such applications, it is typical to first encode relationships between the data samples using an appropriate similarity function. Popul…
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.
Feed-forward networks are widely used in cross-modal applications to bridge modalities by mapping distributed vectors of one modality to the other, or to a shared space. The predicted vectors are then used to perform e.g., retrieval or labeling. Thus, the success of the whole system relies on the ability of the mapping…
New graph embedding method improves link prediction and node classification.
problem Improving graph embedding methods for better node representation.
method Spectral-biased random walks with neighborhood similarity bias.
result Significantly improves link prediction and node classification.
Graph representation learning, aiming to learn low-dimensional representations which capture the geometric dependencies between nodes in the original graph, has gained increasing popularity in a variety of graph analysis tasks, including node classification and link prediction. Existing representation learning methods …
We study model recovery for data classification, where the training labels are generated from a one-hidden-layer neural network with sigmoid activations, also known as a single-layer feedforward network, and the goal is to recover the weights of the neural network. We consider two network models, the fully-connected ne…
Graph neural networks struggle with heterophily, but new designs improve their performance.
problem Graph neural networks struggle with heterophily (networks where connected nodes may have different class labels and dissimilar features).
method Ego- and neighbor-embedding separation, higher-order neighborhoods, and combination of intermediate representations.
result The identified designs increase the accuracy of GNNs by up to 40% and 27% over models without them on synthetic and real networks with heterophily, respectively.
HKConv learns hyperbolic features by aggregating kernel points.
problem Challenges in learning good hyperbolic representations using Euclidean operations.
method Proposes HKConv, a trainable hyperbolic convolution that correlates local features with kernel points and aggregates them.
result HKConv learns expressive local features according to hyperbolic geometry and enjoys equivariance to permutation and invariance to parallel transport.
Gradient descent in neural networks analyzed using RKBS for broader applicability.
problem Analyzing neural network training in the over-parametrized limit.
method Constructing an exact power-series representation of neural networks in RKBS, proving replicability of gradient descent sequences.
result Gradient descent sequences can be exactly replicated by regularized sequential learning in RKBS, providing new theoretical insights.
GraphReach improves GNN performance by incorporating node positions.
problem Existing GNNs fail to capture node positions, leading to inaccurate predictions.
method GraphReach uses reachability estimations from anchor nodes to capture global node positions.
result GraphReach achieves up to 40% relative improvement in accuracy compared to state-of-the-art GNNs.
We present graph attention networks (GATs), novel neural network architectures that operate on graph-structured data, leveraging masked self-attentional layers to address the shortcomings of prior methods based on graph convolutions or their approximations. By stacking layers in which nodes are able to attend over thei…
Almost all local minima in neural networks are strongly convex.
problem The prevalence of strongly convex neighborhoods around local minima in neural network optimization landscapes.
method Rigorous analysis of shallow neural networks with analytic activation functions, dividing parameter space into efficient and redundant domains.
result For shallow neural networks on the efficient domain, almost all local minima are strongly convex.
We derive spectral sequences for the intersection homology of stratified fibrations and approximate tubular neighborhoods in manifold stratified spaces. These neighborhoods include regular neighborhoods in PL stratified spaces.
Making an adaptive prediction based on one's input is an important ability for general artificial intelligence. In this work, we step forward in this direction and propose a semi-parametric method, Meta-Neighborhoods, where predictions are made adaptively to the neighborhood of the input. We show that Meta-Neighborhood…
New fusion blocks improve equivariant neural networks for molecular dynamics.
problem Designing equivariant neural networks for tasks with global symmetries.
method Using fusion diagrams from tensor networks to design novel equivariant components.
result Improved performance with fewer parameters on chemical problems.
ES-MLP combines Graph-MLP with edge splitting for node classification on both homophilic and heterophilic graphs.
problem Node classification on graphs with mixed homophilic and heterophilic properties.
method Combines Graph-MLP with edge splitting mechanism from ES-GNN to learn two adjacency matrices based on relevant and irrelevant feature pairs.
result ES-MLP achieves performance comparable to homophilic and heterophilic models without using edges during inference.
Geom-GCN improves graph neural networks by preserving structural information and capturing long-range dependencies.
problem Weaknesses in MPNNs' aggregators: loss of structural information and lack of long-range dependencies.
method Proposes a geometric aggregation scheme with three modules: node embedding, structural neighborhood, and bi-level aggregation.
result Achieved state-of-the-art performance on various graph datasets.
Data-driven neighborhood definitions and graph constructions are often used in machine learning and signal processing applications. k-nearest neighbor~(kNN) and ε-neighborhood methods are among the most common methods used for neighborhood selection, due to their computational simplicity. However, the choice of param…
Develops a smooth operator framework for analyzing neural network representations.
problem Analyzing the geometry of feedforward neural network representations.
method Introduces a smooth operator-theoretic approach based on diffusion Markov operators derived from feature clouds.
result Establishes a stable operator-geometric framework for tracking training, width, and perturbation stability.
New approach to deeper graph neural networks to avoid performance degradation.
problem Performance degradation of graph neural networks when going deeper.
method Decoupling representation transformation and propagation in graph convolution operations.
result Deeper graph neural networks can be used to learn graph node representations from larger receptive fields.
Study geodesics entering a fixed cusp neighborhood multiple times.
problem Understanding geodesics entering a specific cusp neighborhood multiple times.
method Investigate reciprocal geodesics entering a fixed cusp neighborhood a fixed number of times.
result Characterized the class of reciprocal geodesics entering a fixed cusp neighborhood a fixed number of times.
It is not until recently that graph neural networks (GNNs) are adopted to perform graph representation learning, among which, those based on the aggregation of features within the neighborhood of a node achieved great success. However, despite such achievements, GNNs illustrate defects in identifying some common struct…
Improved anti-cancer drug sensitivity prediction using REFINED CNN ensemble learning.
problem Challenges in predicting anti-cancer drug sensitivity for individual cell lines.
method Using REFINED CNN, which represents high-dimensional vectors as compact 2D images with spatial correlations, and building ensembles of these models.
result Ensemble approaches significantly improve drug sensitivity prediction performance compared to single models.
Skeleta and other pure subsets of manifold stratified spaces are shown to have neighborhoods which are teardrops of stratified approximate fibrations (under dimension and compactness assumptions). In general, the stratified approximate fibrations cannot be replaced by bundles, and the teardrops cannot be replaced by ma…