A new GNM model outperforms MLP for tabular data.
problem Learning with tabular data.
method Proposes Graph Neural Machine (GNM) replacing MLP's graph representation with a nearly complete graph and using synchronous message passing.
result GNM outperforms MLP in classification and regression tasks.
Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications …
Weisfeiler and Leman enhance graph learning for machine learning tasks.
problem Learning from graph data in machine learning.
method Weisfeiler and Leman algorithm applied to graph and node representation learning.
result The algorithm improves graph and node representation learning in machine learning.
Graph machine learning lacks a balanced theory, focusing on expressive power and optimization.
problem Insufficient theoretical understanding of GNNs' generalization behavior.
method Develop a balanced theory focusing on expressive power, generalization, and optimization.
result Theoretical advancements need to align with practical success in graph machine learning.
TF-GNN simplifies graph neural networks in TensorFlow.
problem Handling rich heterogeneous graph data in machine learning.
method A scalable library with a Keras message passing API.
result Enables low-code solutions for broader developers.
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.
TGNN combines GNN and SMM for better trading network predictions.
problem Predicting asset prices in trading networks with structural impact factors.
method Combines GNN and SMM for asset price prediction.
result TGNN outperforms existing methods in prediction accuracy.
Combines BERT and graph CNN for improved text classification.
problem Text classification problems
method Combining BERT embedding and graph convolutional neural network
result Graph CNN model performs better than classical models combined with BERT
Graph neural networks improve combinatorial optimization by leveraging inductive bias.
problem Combinatorial optimization problems often arise from related data distributions.
method Using graph neural networks to enhance or solve combinatorial tasks.
result Graph neural networks effectively encode combinatorial and relational input.
Graph neural networks improve predictions on graph data.
problem Complex non-Euclidean graph data limits traditional machine learning methods.
method Graph neural networks for node-level predictions.
result Improved handling of large-scale and time-dynamic graphs.
Proposes OCGNN for detecting anomalies in graph data.
problem Detecting anomalies in graph-structured data.
method One Class Graph Neural Network (OCGNN) combining Graph Neural Networks and one-class classification.
result Significant improvements in anomaly detection compared to baselines.
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.
PCGs encompass a broader range of neural networks.
problem Understanding the broader scope of neural network models.
method Proving PCGs as a superset of feedforward neural networks.
result PCGs represent a wider class of neural network models.
New method uses CNNs to estimate graph means.
problem Estimating the mean of graph-valued data.
method Convolutional Neural Networks (CNNs) for graph morphology learning.
result CNNs reliably recover the sample Frechet mean.
Survey on GNNs' power and limitations.
problem Theoretical limitations of GNNs.
method Comprehensive overview of GNNs and their variants.
result Provably powerful variants of GNNs.
Graph Laplacians and machine learning predict properties of finite graphs.
problem Understanding properties of finite graphs using spectral and topological methods.
method Combining graph Laplacians, spectral inequalities, machine learning, and topological data analysis.
result Neural networks can accurately predict graph properties like Ricci-flatness and spectral gaps.
MPNNs generalize poorly, study reviews current research.
problem Exploring generalization abilities of MPNNs.
method Systematic review of existing literature.
result Limited understanding of MPNNs' generalization abilities.
A Graph Neural Network model for generating molecular graphs.
problem Designing new drug molecules efficiently and cost-effectively.
method Sequential molecular graph generator based on Graph Neural Networks.
result The model can generate molecular graphs without overfitting and outperforms existing methods.
Graph neural networks have become one of the most important techniques to solve machine learning problems on graph-structured data. Recent work on vertex classification proposed deep and distributed learning models to achieve high performance and scalability. However, we find that the feature vectors of benchmark datas…
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…
Graph-based weather prediction adapted for local models.
problem Applying neural weather prediction to limited area modeling.
method Adapting graph-based Neural Weather Prediction approach to local models.
result Validation of multi-scale hierarchical model extension for Nordic region.
Graph convolutional deep kernel machine learns representations for graph tasks.
problem Limited representation learning in infinite-width neural networks.
method Developed a graph convolutional deep kernel machine as an infinite-width limit.
result Representation learning improves performance for heterophilous node classification tasks.
New equivariant filters improve graph classification.
problem Designing deep learning models for graph symmetries.
method Nonlinear spectral filters (NLSFs) that are equivariant to graph functional shifts.
result NLSFs outperform existing spectral GNNs in graph classification.
Graph-EFM models weather uncertainty with graph-based ensembles.
problem Accurately capturing forecast uncertainty in chaotic weather.
method Flexible latent-variable formulation with hierarchical graph construction.
result Graph-EFM ensembles achieve equivalent or lower errors than deterministic models.
New optimization algorithms on orthogonal group for machine learning.
problem Efficient optimization on the orthogonal group for machine learning tasks.
method Stochastic geometric algorithms on Lie groups.
result Strong performance on diverse machine learning tasks.
Graph Neural Networks (GNNs) are a powerful tool for machine learning on graphs.GNNs combine node feature information with the graph structure by recursively passing neural messages along edges of the input graph. However, incorporating both graph structure and feature information leads to complex models, and explainin…
Graph Neural Networks model 3D granular flow simulations.
problem Accurate modeling of complex 3D granular flow processes.
method Graph Neural Networks approach to simulate 3D granular flow using LIGGGHTS.
result Machine learning trajectories match physical granular flow processes.
GraphBench creates a unified benchmark for graph learning tasks.
problem Fragmented benchmarking practices and inconsistent evaluation protocols in graph learning.
method Developed a comprehensive benchmark suite with standardized evaluation protocols.
result Established principled baselines for future research in graph learning.
Feature networks link ML features via graph structure for enhanced learning.
problem Enhancing feature expressiveness and learning efficiency in machine learning.
method Graph representation of feature vectors, leveraging Fourier and functional analysis.
result Feature networks enable novel, complex feature dependencies.
PPRGo uses approximate PageRank to speed up GNNs on large graphs.
problem Efficiently learning on large graphs using GNNs.
method Approximates PageRank for efficient information diffusion in GNNs.
result PPRGo outperforms other methods in speed and scalability.
Proposes a method for neural networks to learn causal relationships and humans to contest and modify them.
problem Neural networks learn relevant causal relationships unclearly and are black-box, making them hard to debug.
method Two-way interaction between neural networks and humans, allowing contestation and modification of causal graphs.
result Improves predictive performance up to 2.4x and produces smaller networks up to 7x compared to SOTA.
Predicting the relationship between a molecule's structure and its odor remains a difficult, decades-old task. This problem, termed quantitative structure-odor relationship (QSOR) modeling, is an important challenge in chemistry, impacting human nutrition, manufacture of synthetic fragrance, the environment, and sensor…
Learning from graph-structured data is an important task in machine learning and artificial intelligence, for which Graph Neural Networks (GNNs) have shown great promise. Motivated by recent advances in geometric representation learning, we propose a novel GNN architecture for learning representations on Riemannian man…
Ring-reservoir networks simplify graph embeddings efficiently.
problem Efficient graph embeddings using deep neural networks.
method Progressive simplification of Reservoir Computing models to ring topology.
result Ring-reservoir networks show consistent advantages in predictive performance.
Graph data augmentation improves GNN performance in node classification.
problem Improving generalizability of graph neural networks (GNNs) in semi-supervised node classification.
method Introduces GAug framework for graph data augmentation using neural edge predictors.
result GAug framework improves GNN-based node classification performance across various architectures and datasets.
Graph neural networks improve with edge similarity constraints in RNA structure analysis.
problem Lack of edge similarity constraints in graph neural networks.
method Introduced a graph neural network layer that leverages prior information about edge similarities.
result Edge similarity constraints do not enhance performance in graph neural networks.
Bi-GNN models drug interactions using a bi-level graph approach.
problem Predicting drug-drug interactions using machine learning.
method Bi-level graph neural networks that consider both interaction graph and representation graphs of drugs.
result Bi-GNN model improves DDI prediction accuracy compared to existing methods.
CP-ROC bands improve graph classification accuracy and uncertainty quantification.
problem Uncertainty quantification and robustness to distributional shifts in graph classification.
method Conditional Prediction ROC (CP-ROC) bands for graph classification, developed for TGNNs and adaptable to GNNs.
result Statistically guaranteed coverage for CP-ROC under local exchangeability condition, improving prediction reliability.
Graphs are general and powerful data representations which can model complex real-world phenomena, ranging from chemical compounds to social networks; however, effective feature extraction from graphs is not a trivial task, and much work has been done in the field of machine learning and data mining. The recent advance…
Agent learns to navigate uncertain 3D maps using a hybrid planner.
problem Planning in 3D environments with uncertain topological maps.
method Hierarchical strategy combining graph planner and local policy, data-driven learning with neural network.
result Machine learning can overcome missing information in probabilistic topological maps.
This study uses deep learning to improve the accuracy of raw data denoising in ProtoDUNE experiments.
problem Improving the accuracy of raw data denoising in ProtoDUNE experiments.
method Investigates two graph neural network architectures to enhance the receptive field of convolutional neural networks for raw data denoising.
result Graph neural network architectures outperform traditional algorithms in denoising raw ProtoDUNE data.
Graphs represent natural and artificial systems; ML can learn from them.
problem Representing and analyzing complex systems using graphs.
method Graph Neural Networks (GNNs) for learning from graph data.
result GNNs enable learning from diverse graph-based data.
Equivariant graph neural networks predict electron density for molecules, liquids, and solids.
problem Predicting electron density for molecules, liquids, and solids using machine learning.
method Equivariant graph neural networks for predicting electron density at query points.
result The model predicts electron density with accuracy beyond state of the art and significantly faster than traditional DFT methods.
Deep Causal Graphs model complex causal relationships using neural networks.
problem Limited applicability of parametric causal models to real-life datasets with non-linear relationships.
method Deep Causal Graphs, an abstract specification for neural networks to model causal distributions.
result Demonstrates expressive power in modelling complex interactions and provides true causal counterfactuals.
This paper explores different graph neural network functions to improve graph isomorphism.
problem Lack of robust implementation for graph neural networks due to limited analysis of underlying functions.
method Examines various alternative functions for different modules in GNNs using benchmark datasets.
result Generally used underlying techniques do not always capture the overall graph structure.
The majority of data scientists and machine learning practitioners use relational data in their work [State of ML and Data Science 2017, Kaggle, Inc.]. But training machine learning models on data stored in relational databases requires significant data extraction and feature engineering efforts. These efforts are not …
GraSP-RL uses graph neural networks to improve job shop scheduling.
problem Capturing machine-unit-job sequence relationships and managing state space growth.
method Graph neural networks for feature extraction, reinforcement learning for decision-making, decentralized optimization.
result GraSP-RL outperforms existing methods in minimizing makespan for complex production environments.
MLPF uses graph neural networks to improve particle-flow reconstruction in high-pileup conditions.
problem Improving particle-flow reconstruction in high-pileup conditions at high-luminosity LHC.
method End-to-end trainable machine-learned particle-flow algorithm based on graph neural networks.
result MLPF improves physics response and demonstrates scalable reconstruction in high-pileup environments.