CogDL simplifies graph deep learning experiments and benchmarks.
problem Challenges in training and evaluating graph neural networks.
method Unified design for training and evaluation, mixed precision training, efficient sparse operators, ease of use.
result CogDL is the most competitive graph library for efficiency and ease of use.
A new metric compares true and learned causal graphs considering data and graph structure.
problem Comparing true and learned causal graphs accurately.
method Continuous Structural Intervention Distance (CSID) using conditional mean embeddings and maximum mean discrepancy.
result Validated the CSID with synthetic data, showing its effectiveness in comparing causal graphs.
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.
New model allows sparse graphs with many triangles to be represented.
problem Sparse graphs with many triangles cannot be accurately represented in finite dimensions.
method Infinite-dimensional inner product model with manifold representations.
result Local neighborhoods can be represented in lower dimensions.
DHGAK aligns substructures for better graph kernel performance.
problem Limited performance of traditional graph kernels due to missing substructure similarities.
method Hierarchically aligns relational substructures in deep embedding space, assigning same feature maps in RKHS.
result DHGAK outperforms state-of-the-art graph kernels on various benchmarks.
Geo2DR learns graph representations using substructure patterns.
problem Learning distributed representations of graphs efficiently.
method Unsupervised learning with discrete substructure patterns and neural language models.
result Geo2DR achieves high reproducibility and interoperability in graph classification.
There is an emerging trend of embedding knowledge graphs (KGs) in continuous vector spaces in order to use those for machine learning tasks. Recently, many knowledge graph embedding (KGE) models have been proposed that learn low dimensional representations while trying to maintain the structural properties of the KGs s…
Study evaluates 21 KG embedding models, highlighting model architecture, training approach, and loss function importance.
problem Difficulty in fair and thorough comparisons of knowledge graph embedding models due to heterogeneity in implementations, training, and evaluation.
method Reimplemented and evaluated 21 models in PyKEEN, providing insights into reproducibility and best practices.
result Best practices and configurations for each model were identified, showing the importance of model architecture, training approach, and loss function.
This paper reconstructs complex graph signals using kernel methods on manifolds.
problem Reconstructing complex graph signals from samples on graph vertices.
method Kernel methods on complex manifolds, embedding vertices into higher-dimensional spaces.
result Effective reconstruction of complex graph signals, outperforming conventional methods.
This paper improves domain adaptation methods using graph embedding.
problem Alleviating distribution gaps between different data domains.
method Formulate domain adaptation as graph embedding, analyze loss functions, propose rectified evaluation protocol.
result Improved benchmarks on standard datasets demonstrate the effectiveness of the proposed methods.
Experimental reproducibility and replicability are critical topics in machine learning. Authors have often raised concerns about their lack in scientific publications to improve the quality of the field. Recently, the graph representation learning field has attracted the attention of a wide research community, which re…
New algorithm uses GNNs to optimize rewards in graph-structured data.
problem Optimizing rewards in molecule design with graph-structured data.
method Embedding permutation invariance into GNNs and using GNTK for regret bounds.
result First GNN confidence bound and phased-elimination algorithm with sublinear regret.
Proposes a novel graph learning framework for robust graph topology learning from graph signals.
problem Graph learning for revealing node relationships in data entities.
method Functional learning with smoothness-promoting graph learning, incorporating Kronecker product kernel.
result Improves robustness against missing and incomplete information in graph signals.
fCBO optimizes interventions in causal graphs using Gaussian processes.
problem Optimizing interventions in known causal graphs.
method Functional causal Bayesian optimization (fCBO) using Gaussian processes and expected improvement acquisition.
result Functional interventions can lead to better target effects and optimal conditional effects.
This paper explores the recently proposed Graph Convolutional Network architecture proposed in (Kipf & Welling, 2016) The key points of their work is summarized and their results are reproduced. Graph regularization and alternative graph convolution approaches are explored. I find that explicit graph regularization was…
This paper presents a large Bitcoin transaction graph dataset for research.
problem Lack of a comprehensive dataset for Bitcoin research.
method Created a large-scale transactions graph dataset with timestamps.
result Established a large publicly available dataset for advanced research.
New method controls false discoveries in structured hypothesis spaces.
problem Controlling false discoveries in large-scale, interconnected hypothesis spaces.
method Reproducing Kernel Hilbert Space (RKHS) optimization for structured FDR control.
result Unified framework for continuous domains, graphs, and hierarchies.
BayesIMP combines multiple causal graphs to estimate average treatment effects with uncertainty.
problem Uncertainty quantification in causal inference from multiple datasets.
method Bayesian Interventional Mean Processes (BayesIMP) integrating probabilistic integration and kernel mean embeddings.
result Improvements in average treatment effect estimation over state-of-the-art methods.
This paper develops a nonparametric model for complex network data.
problem Capturing conditional independence structure in multivariate data with heterogeneous graph structures.
method Integrates network embedding with nonparametric graphical model estimation, solving a linear equation system.
result The proposed method effectively recovers heterogeneous graph structures without distributional assumptions.
Unified benchmark for GLAD and GLOD methods across 35 datasets.
problem Gap between GLAD and GLOD research due to distinct evaluation setups.
method Comprehensive evaluation framework that unifies GLAD and GLOD.
result Multi-dimensional analyses of existing methods' strengths and limitations.
TUDataset provides benchmark datasets for graph learning.
problem Lack of meaningful benchmark datasets and standardized evaluation procedures for graph learning.
method Collection and standardization of 120 graph datasets from various applications.
result Standardized evaluation procedures and baseline experiments provided.
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.
GRETEL unifies GCE evaluation across various settings.
problem Lack of standardized evaluation for Graph Counterfactual Explanations.
method Unified framework for testing GCE methods in diverse settings.
result GRETEL promotes reproducible evaluations of GCE techniques.
DeepGG generates graph distributions for drug discovery and molecular design.
problem Learning graph distributions for various applications.
method Improved deep graph generator based on deep state machines with graph and node embeddings.
result The state machine design favors specific graph distributions.
New wavelet frames constructed from reproducing kernels for continuous and discrete domains.
problem Generating wavelet frames on non-Euclidean structures.
method Spectral filtering of integral operators associated with reproducing kernels.
result Discrete frames as Monte Carlo estimates of continuous frames, with finite-sample rates derived.
Study improves understanding of network degree distributions using non-linear ERGs.
problem Lack of models capable of accounting for the variance of empirical degree distributions.
method Defined a fitness-induced variant of the two-star model to reproduce sample variance.
result Non-linear ERGs can reproduce the sample variance of empirical degree distributions.
The paper tackles noisy combinations of continuous and step functions, providing conditions for their identification.
problem Recovering noisy observations as a combination of continuous and step functions.
method Topological and local properties of the functions are used to determine conditions for identification. A practical estimation algorithm is provided.
result Conditions for the identification of continuous and step functions based on their global and local properties.
Graph Convolutional Networks (GCNs) have recently been shown to be quite successful in modeling graph-structured data. However, the primary focus has been on handling simple undirected graphs. Multi-relational graphs are a more general and prevalent form of graphs where each edge has a label and direction associated wi…
Study evaluates RKHS choices for assessing graph models using KSD tests.
problem Effect of RKHS choice on KSD tests for graph model assessment.
method Investigated power performance and computational runtime of KSD tests for ERGMs and synthetic graph generators.
result Different RKHS choices affect KSD test performance and computational runtime.
Develops a new method for learning non-parametric DAGs using RKHS.
problem Challenges of learning non-parametric causal models with large combinatorial search space.
method Uses reproducing kernel Hilbert spaces (RKHS) and sparsity-inducing regularization terms based on partial derivatives to enforce acyclicity.
result Shows improved performance through simulations and data analyses.
Accurate prediction of drug-target interaction (DTI) is essential for in silico drug design. For the purpose, we propose a novel approach for predicting DTI using a GNN that directly incorporates the 3D structure of a protein-ligand complex. We also apply a distance-aware graph attention algorithm with gate augmentatio…
Developing new ideas and algorithms in the fields of graph processing and relational learning requires public datasets. While Wikidata is the largest open source knowledge graph, involving more than fifty million entities, it is larger than needed in many cases and even too large to be processed easily. Still, it is a …
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.
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.
Study spectral properties of graph Laplacian for manifold data.
problem Understanding spectral properties of graph Laplacian for manifold data.
method Non-asymptotic error bounds on spectral properties of empirical graph Laplacian.
result Eigenvalues and eigenspaces of empirical graph Laplacian are close to Laplace-Beltrami operator of manifold.
A new framework for graph representation learning.
problem Acquiring continuous representations of discrete objects like graphs.
method Nested SubSpace (NSS) arrangement and Disk-ANChor ARrangement (DANCAR).
result Successfully embedded WordNet in 20-dimensional space with high F1 score.
UMAP's true loss function differs from what was previously thought, focusing on nearest neighbor graph similarities.
problem Understanding the true effectiveness and mechanism of UMAP for high-dimensional data visualization.
method Deriving UMAP's effective loss function in closed form and analyzing its optimization scheme.
result UMAP aims to reproduce similarities encoded in the nearest neighbor graph, not the full high-dimensional similarities.
While a wide range of interpretable generative procedures for graphs exist, matching observed graph topologies with such procedures and choices for its parameters remains an open problem. Devising generative models that closely reproduce real-world graphs requires domain knowledge and time-consuming simulation. While e…
New embedding method in function spaces improves expressiveness.
problem Enhancing expressiveness in knowledge graph embeddings.
method Employing polynomial functions and neural networks with varying layer complexities.
result Improved expressiveness and more degrees of freedom in entity representation.
OGB provides diverse graph datasets for robust ML research.
problem Challenges in scalable and robust graph machine learning.
method Unified evaluation protocol, diverse datasets, and automated pipeline.
result Significant scalability and generalization challenges identified.
We improve a graph generation model to accurately recover Barabási-Albert graph parameters.
problem Recover Barabási-Albert graph parameters from graph data.
method Use a disentanglement-focused deep autoencoding framework with a sequential LSTM decoder trained on graph data.
result Successfully recover Barabási-Albert graph parameters.
Survey of determinism issues in financial AI systems.
problem Vulnerabilities in reproducibility of financial AI systems.
method Literature review and first-party experiments on public financial datasets.
result Proposed a layered evaluation framework linking modality-specific metrics to audit readiness.
A novel kernel-based support vector machine (SVM) for graph classification is proposed. The SVM feature space mapping consists of a sequence of graph convolutional layers, which generates a vector space representation for each vertex, followed by a pooling layer which generates a reproducing kernel Hilbert space (RKHS)…
Graph convolutional neural networks (GCN) have been the model of choice for graph representation learning, which is mainly due to the effective design of graph convolution that computes the representation of a node by aggregating those of its neighbors. However, existing GCN variants commonly use 1-D graph convolution …
Predicting properties of nodes in a graph is an important problem with applications in a variety of domains. Graph-based Semi-Supervised Learning (SSL) methods aim to address this problem by labeling a small subset of the nodes as seeds and then utilizing the graph structure to predict label scores for the rest of the …
ELCO enhances graph generation by adding new nodes and edges.
problem Improving graph-based semi-supervised learning performance.
method ELCO simulates graph signal generation to add new nodes and edges.
result ELCO significantly boosts model performance on various datasets.
Combinatorial optimization problems are typically tackled by the branch-and-bound paradigm. We propose a new graph convolutional neural network model for learning branch-and-bound variable selection policies, which leverages the natural variable-constraint bipartite graph representation of mixed-integer linear programs…
Understanding nonlinear dynamical systems (NLDSs) is challenging in a variety of engineering and scientific fields. Dynamic mode decomposition (DMD), which is a numerical algorithm for the spectral analysis of Koopman operators, has been attracting attention as a way of obtaining global modal descriptions of NLDSs with…