Bayesian neural networks enhance uncertainty estimation in graph contrastive learning.
problem Uncertainty in graph contrastive learning when labeled data is scarce.
method Variational Bayesian neural networks for uncertainty estimation.
result Improved uncertainty estimation and downstream performance on semi-supervised node-classification tasks.
Graph Neural Network improves causal inference in dynamic systems.
problem Identifying causal relations among multi-variate time series.
method Graph Neural Network approach with score-based method.
result Graph Neural Network significantly outperformed other methods in dynamic Bayesian network inference.
Bayesian GCNN learns graph structure with uncertainty.
problem Uncertainty in graph structure limits GCNN performance.
method Non-parametric graph model within Bayesian framework.
result Superior performance in node classification tasks.
Improved graph neural network bounds using graph diffusion matrix.
problem Empirical performance of graph neural networks on real-world graphs.
method Unified model of graph neural networks, focusing on feature diffusion matrix stability.
result Generalization bounds scale with largest singular value of feature diffusion matrix, smaller than prior bounds.
Bayesian GCNN uses node copying for graph inference.
problem Uncertainty in graph structure.
method Generative model based on node copying within BGCN framework.
result Proposed algorithm outperforms state-of-the-art in node classification tasks.
Paper provides robustness bounds for GNNs against adversarial attacks.
problem Adversarial robustness of GNNs for graph-related tasks.
method PAC-Bayesian framework applied to GCN and MP-GNN.
result Spectral norms of diffusion matrix and weights govern robustness.
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.
ABI adapts to graph data for fast, scalable inference.
problem Challenges in inference on graph-structured data.
method Amortized Bayesian Inference (ABI) framework for graph data.
result ABI successfully addresses challenges in graph data inference.
Graph Posterior Network improves uncertainty estimation for node classification in interdependent graphs.
problem Uncertainty quantification for non-independent node-level predictions in graphs.
method Derives axioms for expected predictive uncertainty, proposes Graph Posterior Network (GPN) which performs Bayesian posterior updates.
result GPN outperforms existing approaches for uncertainty estimation in semi-supervised node classification.
Graph structured data are abundant in the real world. Among different graph types, directed acyclic graphs (DAGs) are of particular interest to machine learning researchers, as many machine learning models are realized as computations on DAGs, including neural networks and Bayesian networks. In this paper, we study dee…
Recently, techniques for applying convolutional neural networks to graph-structured data have emerged. Graph convolutional neural networks (GCNNs) have been used to address node and graph classification and matrix completion. Although the performance has been impressive, the current implementations have limited capabil…
Bayesian graph learning improves graph representation accuracy.
problem Inaccurate graph construction from noisy data.
method Non-parametric Bayesian graph model for posterior inference of graph adjacency matrices.
result Model scales well to large graphs and improves node classification, link prediction, and recommendation tasks.
Bayesian optimisation with graph kernels improves neural architecture search and provides interpretability.
problem Lack of insight into why architectures perform well and how to improve them.
method Combines Bayesian optimisation with Weisfeiler-Lehman graph kernels for highly data-efficient and interpretable architecture search.
result Demonstrates state-of-the-art performance on closed- and open-domain search spaces.
Proposes BGCN-NRWS for semi-supervised node classification with reduced overfitting.
problem Uncertainty in graph structure for semi-supervised node classification.
method Bayesian Graph Convolutional Network using Neighborhood Random Walk Sampling (BGCN-NRWS) with MCMC graph sampling and variational inference.
result Consistently competitive classification results compared to state-of-the-art.
We introduce Graph Neural Processes (GNP), inspired by the recent work in conditional and latent neural processes. A Graph Neural Process is defined as a Conditional Neural Process that operates on arbitrary graph data. It takes features of sparsely observed context points as input, and outputs a distribution over targ…
Bayesian optimisation method targets graph classification models against adversarial attacks.
problem Adversarial attacks on graph classification models, especially for graph-level tasks.
method Bayesian optimisation-based attack method for graph classification models.
result Effectiveness and flexibility of the proposed method validated on various graph classification tasks.
Bayesian optimization (BO) is an effective method of finding the global optima of black-box functions. Recently BO has been applied to neural architecture search and shows better performance than pure evolutionary strategies. All these methods adopt Gaussian processes (GPs) as surrogate function, with the handcraft sim…
Unified Bayesian framework for quantifying GNN uncertainty.
problem Quantifying uncertainty in GNN predictions due to modeling errors and measurement uncertainty.
method Unified Bayesian framework with aleatoric uncertainty from probabilistic links and feature noise, and epistemic uncertainty from model parameter distribution. Uses Assumed Density Filtering for aleatoric uncertainty and Monte Carlo dropout for model parameter uncertainty.
result Bayesian model performs similarly to frequentist model and provides additional uncertainty information.
Bayesian neural networks learn graph structure with interpretable parameters.
problem Learning graph structure from nodal observations in data with uncertainty.
method Introduces novel iterations with independently interpretable parameters and Bayesian neural networks.
result Bayesian neural networks provide well-calibrated uncertainty quantification on graph structure.
Bayesian inference of discrete component states in civil infrastructures using PGMs and GNNs.
problem Inferring discrete states of civil infrastructure components from measurable responses is an ill-posed inverse problem.
method The study proposes a novel Bayesian inversion paradigm based on Probabilistic Graphical Models (PGMs) and Graph Neural Networks (GNNs). PGMs are used to model the problem, with parameters learned from data and structural topology prior. Inference is accomplished by GNNs, and a graph property-based training strategy is developed.
result The proposed framework effectively solves the challenges of inferring the posterior PDF for discrete variables in high-dimensional problems.
We propose a data-efficient Gaussian process-based Bayesian approach to the semi-supervised learning problem on graphs. The proposed model shows extremely competitive performance when compared to the state-of-the-art graph neural networks on semi-supervised learning benchmark experiments, and outperforms the neural net…
DiBS learns Bayesian network structure and parameters efficiently.
problem Bayesian structure learning with uncertainty reasoning.
method Differentiable framework for continuous latent graph representation, agnostic to local conditional distributions.
result Significantly outperforms related approaches in posterior inference.
Proposes a method to quantify uncertainty in graph neural networks for node classification.
problem Uncertainty in graph neural networks for node classification.
method Bayesian uncertainty propagation (BUP) method embedding GNNs in a Bayesian framework.
result Demonstrates superior performance of the proposed method on benchmark datasets.
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.
Unified framework for adaptive connection sampling in GNNs improves performance and robustness.
problem Over-smoothing and over-fitting in deep GNNs.
method Adaptive connection sampling trained jointly with GNN model parameters.
result Adaptive connection sampling mathematically equivalent to Bayesian GNNs approximation.
Improved neural network convergence with causal Bayesian modeling in retail performance.
problem Improving neural network convergence in retail performance models.
method Causal Bayesian neural network implementation, removal of weakest SEM path, Flipout layers, Vadam optimizer.
result Neural network convergence improved with removal of the weakest SEM path.
We introduce a principled approach for unsupervised structure learning of deep neural networks. We propose a new interpretation for depth and inter-layer connectivity where conditional independencies in the input distribution are encoded hierarchically in the network structure. Thus, the depth of the network is determi…
ICP models flexible DAG structures using Bayesian nonparametrics.
problem Learning the structure of complex neural networks.
method Bayesian nonparametric prior on DAGs and orders controlled by a latent Beta Process.
result ICP supports every possible DAG structure.
Optimal algorithms identified for semi-supervised classification on graphs.
problem Clustering and classification on graphs with relational and feature information.
method Bayesian inference and belief propagation, extended to graph convolution neural networks.
result Identification of a phase transition and asymptotically optimal algorithms.
Attributed graphs, which contain rich contextual features beyond just network structure, are ubiquitous and have been observed to benefit various network analytics applications. Graph structure optimization, aiming to find the optimal graphs in terms of some specific measures, has become an effective computational tool…
Bayesian learning improves reliability of molecular predictions for hit compound discovery.
problem Improving reliability of machine learning predictions for virtual screening.
method Bayesian learning algorithms applied to graph neural networks.
result Bayesian learning leads to well-calibrated predictions and higher hit compound success.
A new method infers graph structure and parameters using a single generative flow network.
problem Bayesian Network structure and parameter inference from data.
method Single GFlowNet with two-phase sampling: DAG generation followed by parameter assignment.
result Accurate approximation of joint posterior distribution over graph structure and parameters.
UAG defends GNNs against adversarial attacks by quantifying and explaining uncertainties.
problem Lack of uncertainty quantification in GNNs makes them vulnerable to adversarial attacks.
method UAG uses Bayesian Uncertainty Technique (BUT) and Uncertainty-aware Attention Technique (UAT).
result UAG outperforms state-of-the-art solutions in defending adversarial attacks on GNNs.
Paper improves robustness of GNNs against adversarial attacks.
problem Understanding robust generalization of GNNs in adversarial settings.
method Develops a sensitivity-aware PAC-Bayesian framework for MPGNNs.
result Derives tighter robust generalization bounds for MPGNNs.
Graph-based kernels improve GP performance on graph data.
problem Improving Gaussian process performance on graph-structured data.
method Introduced graph neural network-inspired kernels into Gaussian processes.
result Graph convolutional networks are equivalent to certain GP kernels when infinitely wide.
A scalable deep GMRF model for general graphs improves predictions and uncertainty estimates.
problem Handling generally structured data on graphs efficiently.
method A new multi-layer structure of Deep GMRFs designed for general graphs, enabling efficient training and close-to-exact Bayesian inference.
result Close-to-exact Bayesian inference for latent field predictions with uncertainty estimates.
Bayesian deep learning for graphs improves graph classification and prediction tasks.
problem Graph classification reproducibility issues and lack of uncertainty quantification.
method Developed a Bayesian Deep Learning framework for graph learning, considering discrete and continuous edge features.
result Produces unsupervised embeddings for graph classification tasks reaching state-of-the-art performance.
We propose a framework that lifts the capabilities of graph convolutional networks (GCNs) to scenarios where no input graph is given and increases their robustness to adversarial attacks. We formulate a joint probabilistic model that considers a prior distribution over graphs along with a GCN-based likelihood and devel…
Bayesian meta-learning on relation graphs improves few-shot relation extraction.
problem Predicting relations in sentences with limited labeled examples.
method Bayesian meta-learning on a global relation graph, using graph neural networks and Langevin dynamics.
result Framework effectively learns and generalizes to new relations.
TyXe enables flexible Bayesian neural networks in Pytorch.
problem Uncertainty estimation in neural networks.
method Separates architecture, prior, inference, and likelihood specification; modular choices for priors, guides, and inference techniques.
result Minimal modifications to existing code for Bayesian neural networks.
A theoretical performance analysis of the graph neural network (GNN) is presented. For classification tasks, the neural network approach has the advantage in terms of flexibility that it can be employed in a data-driven manner, whereas Bayesian inference requires the assumption of a specific model. A fundamental questi…
LIC compiles probabilistic models to generate efficient MCMC proposals.
problem Creating accurate Metropolis-Hastings proposals for Bayesian inference.
method Integrates probabilistic graphical models and neural networks in an open-source framework to optimize proposal distributions.
result LIC produces more efficient and robust MCMC proposals compared to existing methods.
Bayesian method finds voids in galaxy surveys with deep neural networks.
problem Finding genuine matter underdensities in sparse galaxy surveys is underconstrained.
method Deep graph neural network evolves 'test particles' to sample from stochastic void definitions.
result Trained model performs well and finds Bayes-optimal void mappings.
Bayesian VAR model discovers Granger causality with uncertainty-aware binary graphs.
problem Discovering Granger causal relations from multivariate time-series data.
method Bayesian Vector AutoRegression with factorised Granger-Causal Graphs.
result Our method achieves better performance, especially in low-data regimes.
A new method improves meta-learning for few-shot learning.
problem Catastrophic forgetting and robustness issues in meta-learning.
method CML-BGNN: Bayesian Graph Neural Networks for continual meta-learning.
result Improves performance by 42.8% on miniImageNet 5-way 1-shot classification.
Graph neural networks detect structural perturbations from time series data.
problem Detecting structural causes of disturbances in complex systems.
method Graph neural network approach to infer structural perturbations from functional time series.
result Data-driven approach outperforms typical reconstruction methods and meets Bayesian inference accuracy.
New method extracts cosmological information from dark matter halo catalogues using graph neural networks.
problem Quantifying cosmological information from large-scale structure data.
method Implicit likelihood approach with Information Maximising Neural Networks (IMNNs) on graph representations of dark matter halo catalogues.
result Graph neural network summaries can extract information from noisy catalogues and improve parameter constraints.
Promising results have driven a recent surge of interest in continuous optimization methods for Bayesian network structure learning from observational data. However, there are theoretical limitations on the identifiability of underlying structures obtained from observational data alone. Interventional data provides muc…