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.
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48 results for “Bayesian GCNN”
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.
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…
GCNNs on homogeneous spaces use vector bundles and Hilbert spaces.
problem Learning data on homogeneous spaces with global symmetry.
method Analysis of -equivariant convolutional layers on homogeneous spaces, using vector bundles and reproducing kernel Hilbert spaces.
result A precise criterion for expressing -equivariant layers as convolutional layers, leading to stronger results for some groups.
Improving Molecular Graph Neural Network Explainability with Orthonormalization and Induced Sparsitystat.ML
Two regularization techniques improve GCNN explainability and preference from chemists.
problem Difficulty in rationalizing molecular graph neural network predictions.
method Batch Representation Orthonormalization (BRO) and Gini regularization applied during GCNN training.
result Regularization improves GCNN attribution methods and preference from chemists.
Paper analyzes GCNN sensitivity to probabilistic graph perturbations.
problem Investigating how GCNNs handle probabilistic graph errors.
method Establishes error bounds and linear relationships between GSO perturbations and GCNN outputs.
result GCNNs maintain stability under graph edge perturbations if GSO errors are bounded.
Improves GCNNs with node transition probabilities and DropNode regularization.
problem Over-fitting and over-smoothing issues in GCNNs.
method Message passing based on node transition probabilities and DropNode regularization.
result Improved GCNNs with better node representations and reduced over-fitting and over-smoothing.
GCNNs gain rotation invariance with more training augmentation, making SVD-Universal more effective.
problem Improving robustness of GCNNs to adversarial attacks.
method SVD-Universal technique applied to GCNNs trained with larger rotations.
result SVD-Universal becomes more effective as GCNNs gain rotation invariance.
Inspired by convolutional neural networks on 1D and 2D data, graph convolutional neural networks (GCNNs) have been developed for various learning tasks on graph data, and have shown superior performance on real-world datasets. Despite their success, there is a dearth of theoretical explorations of GCNN models such as t…
Study on VC dimension of GCNNs with input resolution effects.
problem Understanding the generalization capabilities of GCNNs.
method Derived upper and lower bounds for VC dimension, analyzed factors affecting it.
result Extended previous results on VC dimension of GCNNs, providing insights into input resolution dependence.
Important advances have been made using convolutional neural network (CNN) approaches to solve complicated problems in areas that rely on grid structured data such as image processing and object classification. Recently, research on graph convolutional neural networks (GCNN) has increased dramatically as researchers tr…
Developed a framework for designing filters in spectral GCNNs with improved performance.
problem Designing effective filters for spectral GCNNs with regularization properties.
method Exploring regularization properties of graph Laplacian and proposing a generalized framework for filter design.
result New filters derived from the framework outperform state-of-the-art techniques in semi-supervised node classification.
This study proposes a novel Graph Convolutional Neural Network with Data-driven Graph Filter (GCNN-DDGF) model that can learn hidden heterogeneous pairwise correlations between stations to predict station-level hourly demand in a large-scale bike-sharing network. Two architectures of the GCNN-DDGF model are explored; G…
Graph Convolutional Neural Networks (GCNNs) are the most recent exciting advancement in deep learning field and their applications are quickly spreading in multi-cross-domains including bioinformatics, chemoinformatics, social networks, natural language processing and computer vision. In this paper, we expose and tackl…
This paper introduces a new Barron space for graph signals and proves its properties for GCNNs.
problem Understanding and optimizing the performance of GCNNs on graph signals.
method Introducing a Barron space on graph signals, proving its properties, and showing the approximation and learning capabilities of GCNNs within this space.
result GCNN outputs are contained in the Barron space and can be well approximated by functions in this space.
Functional groups (FGs) are molecular substructures that are served as a foundation for analyzing and predicting chemical properties of molecules. Automatic discovery of FGs will impact various fields of research, including medicinal chemistry and material sciences, by reducing the amount of lab experiments required fo…
Joint Learning of Graph Representation and Node Features in Graph Convolutional Neural Networkscs.LG
Graph Convolutional Neural Networks (GCNNs) extend classical CNNs to graph data domain, such as brain networks, social networks and 3D point clouds. It is critical to identify an appropriate graph for the subsequent graph convolution. Existing methods manually construct or learn one fixed graph for all the layers of a …
Unified framework for graph neural networks using EdgeNet.
problem Leveraging neural networks on graphs for structured data.
method Introducing EdgeNet architecture that allows different nodes to use different parameters for neighbor information.
result Unified formulation of GCNNs and GATs, highlighting their similarities and differences.
This work is a further study on the Generalized Constraint Neural Network (GCNN) model [1], [2]. Two challenges are encountered in the study, that is, to embed any type of prior information and to select its imposing schemes. The work focuses on the second challenge and studies a new constraint imposing scheme for equa…
Study on stability of GCNNs under graph perturbations.
problem Limited theoretical understanding of GCNN stability.
method Proposes a probabilistic framework to analyze GCNN stability under various graph perturbations.
result Demonstrates the importance of data distribution in stability analysis.
This paper reviews graph convolutional neural networks (GCNNs) through the lens of edge-variant graph filters. The edge-variant graph filter is a finite order, linear, and local recursion that allows each node, in each iteration, to weigh differently the information of its neighbors. By exploiting this recursion, we fo…
Graph convolutional neural networks (GCNNs) have been attracting increasing research attention due to its great potential in inference over graph structures. However, insufficient effort has been devoted to the aggregation methods between different convolution graph layers. In this paper, we introduce a graph attribute…
Study shows consistency of shallow GCNNs on sampled point clouds under manifold assumption.
problem Consistency of shallow GCNNs on sampled point clouds under manifold assumption.
method Functional analysis perspective, weakly compact product of unit balls, Sobolev regularity, frequency cutoff.
result Proves -convergence of regularized empirical risk minimization functionals and convergence of their global minimizers.
In this work, we provide a new formulation for Graph Convolutional Neural Networks (GCNNs) for link prediction on graph data that addresses common challenges for biomedical knowledge graphs (KGs). We introduce a regularized attention mechanism to GCNNs that not only improves performance on clean datasets, but also favo…
Graph Convolutional Neural Networks (GCNNs) are generalizations of CNNs to graph-structured data, in which convolution is guided by the graph topology. In many cases where graphs are unavailable, existing methods manually construct graphs or learn task-driven adaptive graphs. In this paper, we propose Graph Learning Ne…
This paper evaluates scalable uncertainty estimation methods for DNN-based molecular property prediction.
problem Uncertainty quantification in DNN models for molecular property prediction.
method Quantitative comparison of MC-Dropout, deep ensembles, and bootstrapping on the QM9 dataset.
result Ensembling and bootstrapping consistently outperform MC-Dropout, with different context-specific pros and cons.
Model projection transfers convolutional network properties to feedforward networks.
problem Transferring properties between feedforward and convolutional networks.
method Unified node-level framework with tensor-valued activations, model projection.
result Projected CNN nodes inherit GFFN-style trainable structure.
New AI model improves grid planning efficiency and reliability.
problem Improving distribution grid planning with AI for energy sustainability.
method Hyperstructures Graph Convolutional Neural Networks (Hyper-GCNNs) with attention mechanism.
result Hyper-GCNNs outperforms existing models in computational efficiency and accuracy.
Motivation: Drug discovery demands rapid quantification of compound-protein interaction (CPI). However, there is a lack of methods that can predict compound-protein affinity from sequences alone with high applicability, accuracy, and interpretability. Results: We present a seamless integration of domain knowledges and …
One of the most fundamental problems in machine learning is to compare examples: Given a pair of objects we want to return a value which indicates degree of (dis)similarity. Similarity is often task specific, and pre-defined distances can perform poorly, leading to work in metric learning. However, being able to learn …
A deep learning model is applied for predicting block-level parking occupancy in real time. The model leverages Graph-Convolutional Neural Networks (GCNN) to extract the spatial relations of traffic flow in large-scale networks, and utilizes Recurrent Neural Networks (RNN) with Long-Short Term Memory (LSTM) to capture …
Can we have it all? On the Trade-off between Spatial and Adversarial Robustness of Neural Networkscs.LG
This paper explores the trade-off between spatial and adversarial robustness in neural networks.
problem Understanding the trade-off between spatial and adversarial robustness in neural networks.
method Quantitative analysis and empirical testing with curriculum learning.
result Spatial robustness and adversarial robustness are quantitatively related and can be improved simultaneously.
This paper proposes a new Quantum Spatial Graph Convolutional Neural Network (QSGCNN) model that can directly learn a classification function for graphs of arbitrary sizes. Unlike state-of-the-art Graph Convolutional Neural Network (GCNN) models, the proposed QSGCNN model incorporates the process of identifying transit…
Unified Bayesian-AI framework improves epidemiological risk prediction and uncertainty quantification.
problem Lack of calibrated uncertainty in machine learning models for epidemiology.
method Combines Bayesian prediction with Bayesian hyperparameter optimization using logistic regression and Gaussian-process Bayesian optimization.
result Unified Bayesian-AI framework provides reliable coverage and improved calibration, enhancing epidemiological decision making.
We exhibit a strong link between frequentist PAC-Bayesian risk bounds and the Bayesian marginal likelihood. That is, for the negative log-likelihood loss function, we show that the minimization of PAC-Bayesian generalization risk bounds maximizes the Bayesian marginal likelihood. This provides an alternative explanatio…
PAC-Bayesian bounds for MLPs with cross entropy loss validated.
problem Generalization bounds for MLPs with cross entropy loss.
method Introduced probabilistic explanations and proved PAC-Bayesian bounds using ELBO.
result MLPs with cross entropy loss inherently guarantee PAC-Bayesian generalization bounds.
Review of priors in Bayesian deep learning models.
problem The importance of prior choices in Bayesian deep learning models.
method Overview of different priors and methods of learning priors from data.
result Motivate practitioners to think carefully about prior specification.
Bayesian methods enhance deep learning models by improving reliability and uncertainty.
problem Improving reliability and uncertainty awareness in deep learning models.
method Approximate Bayesian inference techniques, including SG-MCMC and VI, applied to deep learning models.
result Enhanced posterior inference for deep learning models, particularly in neural networks and generative models.
Bayesian hybrid models correct for missing physics in machine learning.
problem Systematic bias in machine learning models.
method Fusing physics-based insights with machine learning constructs, using Bayesian calibration and stochastic programming.
result Bayesian hybrid models outperform pure machine learning approaches with less data.
Enhances robustness in experimental design through Generalised Bayesian inference.
problem Poor inference and estimates of information gain when statistical model is incorrectly specified.
method Generalised Bayesian (Gibbs) inference framework applied to experimental design.
result GBOED enhances robustness to outliers and incorrect assumptions about noise distribution.
Bayesian neural networks speed up numerical integration.
problem Scalability of Bayesian quadrature methods.
method Bayesian Stein networks using neural networks and Laplace approximation.
result Orders of magnitude speed-up on benchmark functions and real-world problems.
Bayesian uncertainty quantification is flawed, according to new research.
problem Flawed interpretation of Bayesian uncertainty quantification.
method Discussion of Bayesian updating and optimization-based perspective, proposing measures of quality.
result Bayesian uncertainty quantification is not coherent with optimization-based perspective.
Bayesian MAML outperforms MAML in meta learning tasks with theoretical guarantees.
problem Theoretical understanding of Bayesian MAML's superiority over MAML.
method Comparison of meta test risks between Bayesian MAML and MAML in meta linear regression.
result Bayesian MAML has provably lower meta test risks than MAML in both distribution agnostic and linear centroid cases.
The Relevance of Bayesian Layer Positioning to Model Uncertainty in Deep Bayesian Active Learningcs.LG
One of the main challenges of deep learning tools is their inability to capture model uncertainty. While Bayesian deep learning can be used to tackle the problem, Bayesian neural networks often require more time and computational power to train than deterministic networks. Our work explores whether fully Bayesian netwo…
Bayesian optimization uses shared latent variables for multiple systems.
problem Optimizing systems with limited data and unknown relationships.
method Shared latent variables, Bayesian inference, probabilistic metamodel.
result Performance improvement in zero-, one-, and few-shot settings.
Bayesian REX learns Atari games from demonstrations efficiently.
problem Bayesian reward learning for complex control problems is computationally intractable.
method Bayesian Reward Extrapolation (Bayesian REX) pre-trains a low-dimensional feature encoding and uses preferences to perform fast Bayesian inference.
result Bayesian REX learns Atari games from demonstrations in 5 minutes, competitive with state-of-the-art methods.
Bayesian coresets improve scalable Bayesian inference.
problem Efficiently approximating posterior inference with a subset of data.
method Sparsity constrained optimization and accelerated optimization methods.
result Explicit convergence rate guarantees and superior performance compared to state-of-the-art.
Nonlinear MCMC improves Bayesian machine learning sampling.
problem Sampling problems in Bayesian machine learning.
method Nonlinear MCMC technique with convergence guarantees.
result Improves sampling in Bayesian neural networks.