COPT optimizes graph distances via simultaneous optimal transport.
problem Learning graph representations unsupervisedly.
method Simultaneous optimization of dual transport plans between vertices and graph signals.
result COPT preserves spectral information and outperforms state-of-the-art methods.
Optimal Transport Graph Neural Networks (OT-GNN) improves graph embeddings by using optimal transport.
problem Graph Neural Networks (GNN) often lose structural or semantic information when aggregating node embeddings.
method Combines optimal transport (OT) with parametric graph models to compute graph embeddings from Wasserstein distances between node embeddings and prototype point clouds.
result OT-GNN outperforms popular methods on molecular property prediction tasks and produces smoother graph representations.
Linear-time graph optimization using reinforcement learning.
problem Solving combinatorial optimization problems on real-world graphs.
method Graph neural network trained with reinforcement learning.
result Approximate solutions in linear time for various graph problems.
Bayesian Optimization for graph node subset functions.
problem Optimizing functions over node subsets in graphs.
method Bayesian Optimization framework for combinatorial optimization on graphs.
result Effectiveness of the proposed BO framework on various graph types and tasks.
Unified framework for graph coarsening using node features and graph matrices.
problem Dimensionality reduction of large graphs while preserving node features.
method Optimization-based framework that unifies graph learning and dimensionality reduction.
result The learned coarsened graph is ε-similar to the original graph, where ε is a small positive number.
Optimal Reeb graphs identified for polygon decomposition.
problem Investigating the topological structure of planar polygon decomposition.
method Using oriented Reeb graphs with a marked vertex for height functions.
result Described all possible optimal Reeb graphs for specific polygon configurations.
Optimizes graph neural networks using natural gradient descent.
problem Improving efficiency and performance of graph neural networks.
method Employing natural gradient descent to optimize graph neural networks.
result Natural gradient optimization leads to superior performance compared to existing methods.
Network structure optimization is a fundamental task in complex network analysis. However, almost all the research on Bayesian optimization is aimed at optimizing the objective functions with vectorial inputs. In this work, we first present a flexible framework, denoted graph Bayesian optimization, to handle arbitrary …
We present a deep reinforcement learning approach to minimizing the execution cost of neural network computation graphs in an optimizing compiler. Unlike earlier learning-based works that require training the optimizer on the same graph to be optimized, we propose a learning approach that trains an optimizer offline an…
Optimal graph classification uses message-passing neural networks.
problem Node classification on sparse graphs with fixed feature dimensions.
method Asymptotic local Bayes optimality, message-passing graph neural networks.
result Optimal message-passing architecture interpolates between MLP and convolution.
Surveying machine learning for solving graph optimization problems.
problem Solving combinatorial optimization problems on graphs requires algorithmic engineering.
method Surveying machine learning approaches for graph optimization.
result Machine learning offers new ways to solve graph optimization problems.
Proposes a new graph kernel framework using regularized Wasserstein distances.
problem Learning optimal transport distances for graph kernels.
method Introduces Regularized Wasserstein (RW) discrepancy with two regularization terms.
result Empirically validated method outperforms state-of-the-art methods.
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…
The paper proves optimal smoothness for certain Lagrangian graphs with specific Hölder continuity.
problem Optimal regularity for Hölder continuous Hamiltonian stationary Lagrangian graphs.
method Establishing smoothness conditions based on Hölder exponent and Lagrangian phase properties.
result Smoothness of graphs is achieved when Hölder exponent is strictly greater than 1/3 and Lagrangian phase is supercritical.
Energy savings for DNN inference on resource-constrained devices.
problem Energy efficiency in deep learning inference for constrained devices.
method Efficiently searches through equivalent DNN graphs to find the one with the least execution cost.
result Achieves 24% energy savings with minimal performance impact.
Study efficient graph optimization with noisy data.
problem Optimizing functions on graphs with noisy observations.
method Best-arm identification and simulated annealing variants.
result Near-optimal solutions found with small query numbers.
Proposes GIB for recognizing informative subgraphs in graphs.
problem Recognizing a subgraph that is maximally informative yet compressive.
method Graph Information Bottleneck (GIB) framework, mutual information estimator, bi-level optimization, connectivity loss.
result IB-subgraph improves graph classification, interpretation, and denoising.
GACBO optimizes unknown causal graphs with interventions.
problem Optimizing a target variable on an unknown causal graph with interventions.
method Graph Agnostic Causal Bayesian Optimisation (GACBO) seeks to balance exploitation and exploration of causal structures and functions.
result GACBO outperforms baselines in simulated and real-world applications.
GOAT improves graph matching speed and accuracy using optimal transport.
problem Efficiently matching large graphs in various applications.
method Replaces linear assignment with optimal transport methods.
result GOAT provides improvements in speed and accuracy.
We view molecular optimization as a graph-to-graph translation problem. The goal is to learn to map from one molecular graph to another with better properties based on an available corpus of paired molecules. Since molecules can be optimized in different ways, there are multiple viable translations for each input graph…
Stress, edge crossings, and crossing angles play an important role in the quality and readability of graph drawings. Most standard graph drawing algorithms optimize one of these criteria which may lead to layouts that are deficient in other criteria. We introduce an optimization framework, Stress-Plus-X (SPX), that sim…
Real-world applications often combine learning and optimization problems on graphs. For instance, our objective may be to cluster the graph in order to detect meaningful communities (or solve other common graph optimization problems such as facility location, maxcut, and so on). However, graphs or related attributes ar…
cCBO optimizes interventions in causal graphs under constraints.
problem Finding optimal interventions in causal graphs with constraints.
method Exploits graph structure, uses Gaussian processes, and sequentially selects interventions.
result Successful trade-off between fast convergence and feasibility of interventions.
A new discrete formula connects vertex and edge distributions on graphs.
problem Optimal transport on graphs with mixed vertex and edge distributions.
method Discrete transport equation and Benamou-Brenier formulation.
result Classification of all Wasserstein-1 geodesics on graphs.
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.
The paper proves index theorems for graph-based optimal control problems.
problem Optimal control problems on graphs with constraints.
method Proves Morse index theorems for a broad class of variational problems on graphs.
result Formulas compute the difference of Hessians related to different graphs or boundary conditions.
Optimal Euclidean structure minimizes energy in weighted toroidal graphs.
problem Finding the optimal Euclidean structure for weighted toroidal graphs.
method Minimizing Dirichlet energy over all possible Euclidean structures and realizations within a fixed homotopy class.
result The optimal Euclidean structure induces a weighted Delaunay decomposition.
Convex optimization method infers latent structure in random dot product graphs.
problem Inferring latent probability matrix of random dot product graphs.
method Conic programming with nuclear norm regularization.
result Asymptotic consistency of probability estimates and recovery of latent structure.
This paper proposes an organized generalization of Newman and Girvan's modularity measure for graph clustering. Optimized via a deterministic annealing scheme, this measure produces topologically ordered graph clusterings that lead to faithful and readable graph representations based on clustering induced graphs. Topog…
Generating novel graph structures that optimize given objectives while obeying some given underlying rules is fundamental for chemistry, biology and social science research. This is especially important in the task of molecular graph generation, whose goal is to discover novel molecules with desired properties such as …
Optimizes causal effects on unknown graphs using Causal Entropy Optimization.
problem Optimizing causal effects in unknown causal graphs.
method Causal Entropy Optimization (CEO) framework that generalizes Causal Bayesian Optimization (CBO). Incorporates causal structure uncertainty in surrogate models and intervention selection.
result CEO achieves faster convergence to global optimum compared to CBO and improves upon sequential structure learning.
Graph partitioning is the problem of dividing the nodes of a graph into balanced partitions while minimizing the edge cut across the partitions. Due to its combinatorial nature, many approximate solutions have been developed, including variants of multi-level methods and spectral clustering. We propose GAP, a Generaliz…
Adaptive, sparse graphs improve learning performance.
problem Inappropriate kNN for varying sampling density or noise.
method Quadratically regularised optimal transport.
result Graphs outperform kNN in learning applications.
PES method reduces bias in gradient estimation for unrolled graphs.
problem High variance and bias in gradient estimation for unrolled computation graphs.
method Divide graph into unrolls, apply ES update, accumulate correction terms.
result PES provides unbiased, low-variance gradient estimates.
Generative modeling on metric graphs using neural optimal transport
problem Deep generative modeling for continuous probability distributions on metric graphs
method Embedding graph into smooth ambient space, solving entropic Kantorovich problem, projecting back onto graph
result Generator is graph-supported
PyKEEN 1.0 simplifies KGE model creation and optimization.
problem Training and evaluating knowledge graph embeddings (KGEs).
method Composes KGEMs with various interaction models, training approaches, and loss functions. Implements automatic memory optimization and extensive HPO functionalities.
result PyKEEN 1.0 streamlines KGE model creation and optimization.
The problem of accelerating drug discovery relies heavily on automatic tools to optimize precursor molecules to afford them with better biochemical properties. Our work in this paper substantially extends prior state-of-the-art on graph-to-graph translation methods for molecular optimization. In particular, we realize …
The paper calculates graph Ricci curvature and finds properties of specific graph types.
problem Understanding Ricci curvature on irregular graphs.
method Developed a formula for graph Ricci curvature based on optimal bijections.
result Derived structural and theorem results for specific graph types.
Graph neural networks improve solving linear optimization problems.
problem Improving the efficiency of solving linear optimization problems.
method Using graph neural networks to simulate standard interior-point methods for linear optimization problems.
result Graph neural networks can solve linear optimization problems close to optimality, often outperforming conventional solvers.
Optimizes wireless power control using graph neural networks and counterfactual optimization.
problem Mitigating interference in wireless networks with multiple transmitter-receiver pairs.
method Graph neural network architecture combined with unsupervised primal-dual counterfactual optimization.
result Guarantees a minimum rate constraint that adapts to network size, balancing user rates.
Paper introduces HGSL for heterogeneous graphs, improving edge type and weight recovery.
problem Learning structure in heterogeneous graphs with multiple node and edge types.
method Proposes H2MN model for DGPs and derives alternating optimization method.
result Demonstrates superior performance on synthetic and real-world datasets.
This paper presents a bias-variance tradeoff of graph Laplacian regularizer, which is widely used in graph signal processing and semi-supervised learning tasks. The scaling law of the optimal regularization parameter is specified in terms of the spectral graph properties and a novel signal-to-noise ratio parameter, whi…
A novel Gromov-Wasserstein learning framework is proposed to jointly match (align) graphs and learn embedding vectors for the associated graph nodes. Using Gromov-Wasserstein discrepancy, we measure the dissimilarity between two graphs and find their correspondence, according to the learned optimal transport. The node …
We present a novel approximate graph matching algorithm that incorporates seeded data into the graph matching paradigm. Our Joint Optimization of Fidelity and Commensurability (JOFC) algorithm embeds two graphs into a common Euclidean space where the matching inference task can be performed. Through real and simulated …
A new algorithm optimizes graph problems faster and more accurately.
problem Hard optimization problems on graphs.
method Gumbel-softmax technique with gradient descent and evolution strategy.
result High-quality solutions obtained with less time.
This paper shows how to estimate distances in latent space of random graphs using entropic OT.
problem Estimating distances between groups of nodes in latent space of random graphs.
method Entropic Optimal Transport (OT) with stability results for perturbations of the cost matrix.
result Consistent estimation of entropic OT distances between groups of nodes in latent space.
New methods solve graph sparsity optimization problems faster.
problem Complex graph sparsity optimization problems in disease outbreak monitoring and social network analysis.
method Stochastic variance-reduced gradient-based methods GraphSVRG-IHT and GraphSCSG-IHT.
result Our methods achieve linear convergence speed.
End-to-end trainable graph matching using improved combinatorial solvers.
problem Graph matching in deep learning.
method Combining deep learning with optimized combinatorial solvers.
result Advances state-of-the-art on deep graph matching benchmarks.