A new conformal prediction framework for graph-valued outputs using Z-Gromov-Wasserstein distances.
problem Lack of principled uncertainty quantification for graph-valued supervised prediction.
method Proposes a conformal prediction framework using Z-Gromov-Wasserstein distances for graph-valued outputs.
result Provides distribution-free coverage guarantees for graph-valued outputs.
GEN tackles few-shot out-of-graph link prediction in evolving multi-relational graphs.
problem Predicting links between unseen nodes in evolving multi-relational graphs with few edges per node.
method Transductive meta-learning framework (GEN) for inductive and transductive inference.
result GEN significantly outperforms relevant baselines for out-of-graph link prediction tasks.
The study analyzes and benchmarks graph conformal prediction methods.
problem Uncertainty quantification in graph node classification.
method Analysis and scaling of existing graph conformal prediction methods.
result Justified recommendations for future graph conformal prediction research.
NPGNN improves graph link prediction by adapting to new graphs.
problem Inductive link prediction in graphs with limited training data.
method Meta-learning with graph neural networks (NPGNN).
result NPGNN outperforms state-of-the-art models in real-world graphs.
Generative model predicts multiple brain graphs from one, preserving topology.
problem Predicting multiple brain graphs from a single one, preserving topology.
method MultiGraphGAN architecture, graph adversarial auto-encoder, cluster-specific decoders, topological loss.
result Significantly outperformed variants in multi-view brain graph generation.
New method predicts graph structure changes over time.
problem Existing graph prediction methods assume static vertices, limiting their applicability.
method Combines time series prediction with adapted FBA for growing graphs.
result Efficacy demonstrated on synthetic and real datasets.
Proposes a method to improve GNN predictions by finding the most predictive subgraph.
problem GNNs aggregate all nodes and edges, making predictions hard to interpret.
method Uses reinforcement learning to find a sparse subgraph that optimizes graph classification performance.
result Our method finds sparser subgraphs that improve interpretability while maintaining performance.
Study shows gMPNNs struggle with OOD link prediction in larger test graphs.
problem Inductive out-of-distribution link prediction in larger test graphs.
method Theoretical analysis and development of a gMPNN with structural pairwise embeddings.
result Structural node embeddings from gMPNNs converge to random guessing as test graphs grow.
DArtNet predicts time series data using graph structure and dynamic attributes.
problem Predicting time series data using graph structure and dynamic attributes.
method DArtNet learns static and dynamic embeddings for graph nodes and encodes history information using RNN for joint link and attribute prediction.
result Improved time series prediction accuracy on five datasets.
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.
CF-GNN provides reliable uncertainty estimates for graph data.
problem Lack of rigorous uncertainty estimates in GNNs.
method Conformal prediction extended to graph-based models (CF-GNN).
result CF-GNN produces prediction sets with provable coverage probability.
Paper uses GNN and conformal prediction for accurate edge weight prediction.
problem Predicting edge weights on graphs for various applications.
method Graph Neural Network (GNN) with conformal prediction and error reweighting.
result Our method provides better coverage and efficiency than baselines.
Proposes active learning for meta-learning in graph node response prediction.
problem Difficulty in improving performance with meta-learning due to unbalanced observations.
method Combines graph convolutional neural networks and reinforcement learning for both prediction and node selection.
result Can predict responses and select nodes even for unseen response variables.
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.
GCNET predicts stock price movements using graph convolutional networks.
problem Predicting stock price movements using interrelated stocks data.
method GCNET models stock relations as an influence network, uses graph convolutional networks for prediction.
result GCNET significantly improves prediction accuracy and MCC measures.
RoCP-GNN improves GNNs' robustness in graph node classification.
problem Uncertainty in GNN predictions for graph data.
method Integrates conformal prediction into GNN training for robust prediction sets.
result GNN models with size loss improve performance in node classification.
AWARE improves graph prediction by aggregating walks with attention schemes.
problem Improving graph prediction accuracy using walk aggregation.
method Integrates attention schemes into walk-aggregating GNNs.
result AWARE outperforms existing methods in graph-level prediction tasks.
Graph autoencoders (AE) and variational autoencoders (VAE) recently emerged as powerful node embedding methods. In particular, graph AE and VAE were successfully leveraged to tackle the challenging link prediction problem, aiming at figuring out whether some pairs of nodes from a graph are connected by unobserved edges…
Valid prediction sets for dynamic graphs using conformal prediction.
problem Uncertainty quantification in dynamic graph neural networks.
method Dynamic graph unfolding for input to GNNs, combined with conformal prediction.
result Valid prediction sets with minimal assumptions, even in challenging scenarios.
GRAPE uses graph representation to handle missing data in feature imputation and label prediction.
problem Handling missing data in machine learning tasks.
method GRAPE uses a bipartite graph where observations and features are nodes, and observed feature values are edges. It formulates feature imputation as edge-level prediction and label prediction as node-level prediction, solving these with Graph Neural Networks.
result GRAPE achieves 20% lower mean absolute error for imputation and 10% lower for label prediction compared to state-of-the-art methods.
NGAT predicts long-term stock trends using graph attention networks.
problem Lack of effective corporate relationship graph comparison methods and model complexity in stock prediction.
method Developed a Node-level Graph Attention Network (NGAT) for corporate relationship graphs.
result Demonstrated the effectiveness of NGAT across two datasets.
RAW-Explainer generates interpretable subgraph explanations for link predictions in knowledge graphs.
problem Interpreting GNN predictions for link prediction in heterogeneous settings is challenging.
method RAW-Explainer uses random walk objective and neural network to generate connected, concise subgraph explanations.
result RAW-Explainer strikes a balance between explanation quality and computational efficiency.
GG-SAGE predicts links in directed graphs with attributes, outperforming existing methods.
problem Predicting links in directed graphs with node attributes.
method Gravity-GraphSAGE, a modified GraphSAGE model with a gravity-inspired decoder.
result GG-SAGE outperforms state-of-the-art GDL link prediction techniques.
One fundamental issue in managing bike sharing systems is the bike flow prediction. Due to the hardness of predicting the flow for a single station, recent research works often predict the bike flow at cluster-level. While such studies gain satisfactory prediction accuracy, they cannot directly guide some fine-grained …
RR-GNN improves GNN prediction intervals by accounting for graph heteroscedasticity and structural biases.
problem Uncertainty quantification in GNNs for high-stakes domains.
method Graph-Structured Mondrian CP, Residual-Adaptive Nonconformity Scores, Cross-Training Protocol.
result Improved efficiency and no loss of coverage compared to CP baselines.
New method learns graph structure and uncertainty from data.
problem Learning latent graph structures and their uncertainty from data.
method Proposes a sampling-based method to learn latent graph structure and uncertainty simultaneously.
result Proves that suitable loss functions on stochastic model outputs solve both learning latent graph structure and achieving optimal predictions.
GraphPPD models graph-level uncertainty using GNN embeddings.
problem Capturing uncertainty in graph-level predictions.
method Variational modelling for posterior predictive distribution.
result Effective uncertainty-aware predictions on graph-level tasks.
We consider the two problems of predicting links in a dynamic graph sequence and predicting functions defined at each node of the graph. In many applications, the solution of one problem is useful for solving the other. Indeed, if these functions reflect node features, then they are related through the graph structure.…
Investigates how neural network graph structure impacts predictive performance.
problem Lack of understanding between neural network graph structure and predictive performance.
method Developed relational graph representation to analyze neural networks, identifying a 'sweet spot' for improved performance.
result Identified a 'sweet spot' in relational graph structure that significantly improves neural network predictive performance.
DMGNN predicts 3D human motions using adaptive multiscale graphs.
problem Predicting 3D skeleton-based human motions accurately.
method Dynamic multiscale graph neural networks (DMGNN) with adaptive multiscale graphs and MGCU.
result DMGNN outperforms state-of-the-art methods in short and long-term predictions.
The (variational) graph auto-encoder and its variants have been popularly used for representation learning on graph-structured data. While the encoder is often a powerful graph convolutional network, the decoder reconstructs the graph structure by only considering two nodes at a time, thus ignoring possible interaction…
iGNN tackles inverse graph prediction using invertible neural networks.
problem Inverse graph prediction problem in data analysis and machine learning.
method Developed invertible graph neural network (iGNN) to solve inverse prediction problem on graphs.
result iGNN model allows efficient generation from output labels and forward prediction.
Kernel and linear regression have been recently explored in the prediction of graph signals as the output, given arbitrary input signals that are agnostic to the graph. In many real-world problems, the graph expands over time as new nodes get introduced. Keeping this premise in mind, we propose a method to recursively …
This paper tackles graph translation challenges by predicting both node and edge attributes simultaneously.
problem Challenges in predicting both node and edge attributes in graph translation, especially in interactive, iterative, and asynchronous processes.
method Developed a novel framework integrating both node and edge translations seamlessly, using spectral graph regularization to maintain consistency.
result Demonstrated the effectiveness of the proposed method on both synthetic and real-world application data.
GTDL methods fail to accurately model feature interactions in tabular data.
problem Accurate modeling of feature interactions in tabular data.
method Graph-based tabular deep learning methods using attention mechanisms and message-passing schemes.
result Current GTDL methods fail to recover meaningful feature interactions due to poor edge recovery.
We consider the task of few shot link prediction on graphs. The goal is to learn from a distribution over graphs so that a model is able to quickly infer missing edges in a new graph after a small amount of training. We show that current link prediction methods are generally ill-equipped to handle this task. They canno…
Study compares atom representations in graph neural networks for molecular properties.
problem Incorrect attribution of results in molecular property prediction due to varying atom features.
method Evaluated multiple atom representations on free energy, solubility, and metabolic stability predictions.
result Different atom representations can lead to varying predictive performance in graph neural networks.
Graphs predict reaction conditions for organic chemistry.
problem Predicting specific reaction conditions in organic chemistry.
method Graph Neural Networks (GNNs) for modeling reaction graphs.
result GNNs can identify specific graph features affecting reaction conditions.
Paper predicts future graph structures using time series methods.
problem Forecasting dynamic graph structures with unseen nodes and edges.
method Time series forecasting for node degree prediction combined with flux balance analysis.
result Demonstrated utility and applicability of the approach on synthetic and real-world datasets.
This work benchmarks neural embeddings for link prediction in evolving knowledge graphs.
problem Evaluating the robustness of neural embeddings in changing knowledge graphs.
method Proposes an open-source evaluation pipeline using relation-centric connectivity measures.
result Demonstrates the importance of simulating embedding accuracy for frequently updated knowledge graphs.
Recently, graph neural networks (GNNs) have proved to be suitable in tasks on unstructured data. Particularly in tasks as community detection, node classification, and link prediction. However, most GNN models still operate with static relationships. We propose the Graph Learning Network (GLN), a simple yet effective p…
Deep learning predicts drug prescriptions across global health records.
problem Predicting drug prescriptions in chronic disease patients.
method Adaptive cross-global attention graph kernel network with support vector machine.
result Model outperforms current methods in accuracy and interpretability.
A new graph model HMG and neural network HMGNN improve molecule property predictions.
problem Predicting quantum mechanical properties of molecules with limited consideration of many-body interactions.
method Introducing heterogeneous molecular graphs (HMG) and building HMGNN on neural message passing scheme.
result HMGNN achieves state-of-the-art performance in 9 out of 12 tasks on the QM9 dataset.
Traffic actors' future motion predicted using a hybrid graph model.
problem Predicting long-term behaviors of traffic actors in complex scenes.
method A hybrid graph model with nodes for actors and traffic elements, and edges for interaction types.
result TrafficGraphNet achieves state-of-the-art trajectory prediction accuracy.
The use of drug combinations often leads to polypharmacy side effects (POSE). A recent method formulates POSE prediction as a link prediction problem on a graph of drugs and proteins, and solves it with Graph Convolutional Networks (GCNs). However, due to the complex relationships in POSE, this method has high computat…
Graph network predicts circRNA-disease associations using multi-source similarity features.
problem Identifying circRNA-disease associations is challenging and time-consuming.
method Proposes a graph convolution network framework using multi-source similarity information.
result Framework predicts circRNA-disease associations with promising results and outperforms existing methods.
Improves GNN prediction sets with conformal prediction for node classification.
problem Lack of predictive uncertainty for GNN models.
method Adapted conformal prediction for graph data, weighting scores based on graph structure.
result Better calibrated and tighter prediction sets than naive conformal prediction.
We examine two fundamental tasks associated with graph representation learning: link prediction and semi-supervised node classification. We present a novel autoencoder architecture capable of learning a joint representation of both local graph structure and available node features for the multi-task learning of link pr…