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Scalable Gromov-Wasserstein Learning for Graph Partitioning and Matching
Hongteng Xu, Dixin Luo, Lawrence Carin
TL;DR
The paper addresses the limited scalability of Gromov-Wasserstein methods for large-scale graph analysis. It proposes S-GWL, which unifies matching and partitioning through optimal transport and learned barycenter graphs, using recursive partitioning and regularized optimization. The method achieves large-scale analysis with reported accuracy-efficiency trade-offs and outperforms state-of-the-art methods in many situations.
Problem
Gromov-Wasserstein methods have theoretical appeal for graph analysis but are often impractical at large scale because of computational limitations.
Source: §1 · p. 1Method
S-GWL combines GW-based optimal transport, disconnected or learned barycenter graphs, recursive K-partitioning, and a regularized proximal gradient method.
Source: §1 · pp. 1–2, §2.1 · p. 3, §2.2 · p. 3Results
The approach unifies large-scale graph partitioning and matching, outperforms state-of-the-art methods in many situations, and achieves O(K(E + V) log_K V) time complexity for graphs with V nodes and E edges.
Source: §1 · p. 2, §3.2 · p. 5, §6 · p. 8Takeaways & Limitations
GW discrepancy can serve as a common optimization basis for graph matching, partitioning, and multi-graph analysis at large scale.
Source: §1 · pp. 1–2, §3 · p. 3S-GWL is sensitive to hyperparameters, with γ, a, and b requiring careful settings; large graphs generally require large γ and many iterations.
Source: §6 · p. 8
Abstract
from arXiv · showhide
We propose a scalable Gromov-Wasserstein learning (S-GWL) method and establish a novel and theoretically-supported paradigm for large-scale graph analysis. The proposed method is based on the fact that Gromov-Wasserstein discrepancy is a pseudometric on graphs. Given two graphs, the optimal transport associated with their Gromov-Wasserstein discrepancy provides the correspondence between their nodes and achieves graph matching. When one of the graphs has isolated but self-connected nodes ($i.e.$, a disconnected graph), the optimal transport indicates the clustering structure of the other graph and achieves graph partitioning. Using this concept, we extend our method to multi-graph partitioning and matching by learning a Gromov-Wasserstein barycenter graph for multiple observed graphs; the barycenter graph plays the role of the disconnected graph, and since it is learned, so is the clustering. Our method combines a recursive $K$-partition mechanism with a regularized proximal gradient algorithm, whose time complexity is $\mathcal{O}(K(E+V)\log_K V)$ for graphs with $V$ nodes and $E$ edges. To our knowledge, our method is the first attempt to make Gromov-Wasserstein discrepancy applicable to large-scale graph analysis and unify graph partitioning and matching into the same framework. It outperforms state-of-the-art graph partitioning and matching methods, achieving a trade-off between accuracy and efficiency.
1 Introduction
The paper develops S-GWL to make Gromov-Wasserstein analysis scalable and to unify graph partitioning, matching, and their multi-graph extensions. A recursive partitioning strategy and regularized optimization support large-scale computation while experiments report competitive accuracy-efficiency trade-offs.
- Gromov-Wasserstein discrepancy provides node correspondence through optimal transport and supports graph matching between distinct graphs.Source: §1 · p. 1
- Graph partitioning is formulated by comparing an observed graph with a disconnected graph, whose optimal transport reveals node clusters.Source: §1 · pp. 1–2
- A learned Gromov-Wasserstein barycenter graph extends the framework to multi-graph matching and partitioning through indirect transport-based correspondences.Source: §1 · p. 2
- S-GWL recursively applies K-way partitioning and uses regularized proximal gradient updates to improve scalability for sparse large graphs.Source: §1 · p. 2
- O(K(E + V) log_K V) time complexity supports large-scale analysis, while experiments report a trade-off between accuracy and efficiency.Source: §1 · p. 2
2 Graph Analysis Based on Gromov-Wasserstein Learning
The GWL framework uses Gromov-Wasserstein optimal transport to represent node correspondences, graph partitions, and multi-graph alignments. A disconnected graph encodes clusters, while a learned barycenter graph provides a shared reference for multiple observed graphs.
- A measure graph consists of nodes, an adjacency matrix, and a Borel probability measure over nodes.Source: §2 · p. 2
- GW discrepancy compares graph relations and returns an optimal transport that acts as a joint distribution over nodes in the two graphs.Source: §2.1 · pp. 2–3
Graph matching
- For graph matching, transport entries represent node assignments between source and target graphs.Source: §2.1 · p. 3
Graph partitioning
- K-way partitioning compares an observed graph with a disconnected graph of K isolated self-connected nodes, assigning each node to the cluster indicated by its largest transport entry.Source: §2.1 · p. 3
Multi-graph matching
- A Gromov-Wasserstein barycenter minimizes weighted discrepancy to observed graphs and serves as a reference for matching nodes across multiple graphs.Source: §2.2 · p. 3
Multi-graph partitioning
- For multi-graph partitioning, a barycenter initialized with K isolated nodes is learned so that nodes transported to the same barycenter node share a cluster.Source: §2.2 · p. 3
3 Scalable Gromov-Wasserstein Learning
The paper scales GWL through regularized proximal-gradient optimization and recursive K-way decomposition, reducing complexity while supporting graph matching and partitioning.
3.1 Regularized proximal gradient method
- The GWL framework uses a regularized proximal gradient method to solve successive convex subproblems and obtain stable optimal transports.The KL divergence is used as a proximal term, and Sinkhorn-Knopp solves each subproblem.Source: §3 · p. 3, §3.1 · pp. 3–4
- Node-based regularization incorporates differences in node distributions to directly encourage similarity between nodes during optimal-transport learning.The cost matrix uses cij = |µs_i − µt_j|, with τ controlling the regularizer’s significance.Source: §3.1 · p. 4
- The barycenter graph is learned by alternating between optimal-transport updates for observed graphs and adjacency-matrix updates.Its weights, node count, and node distribution are predefined, while the adjacency matrix is updated iteratively.Source: §3.1 · p. 4
3.2 A recursive K-partition mechanism for large-scale graph matching
- The recursive K-partition mechanism decomposes large graphs into aligned sub-graph pairs, then applies barycenter-based matching recursively.At each recursion, corresponding subgraphs are extracted from the jointly partitioned observed graphs.Source: §3.2 · p. 5
- O(MK(E + V) log_K V) time and O(M(E + V/K)) memory are achieved for M graphs with V nodes and E edges.The complexity follows from recursive decomposition and smaller aligned subgraph pairs.Source: §3.2 · p. 5
- S-GWL is consistently faster than GWL across configurations varying the partition count K and recursion count R.Figure 2(b) visualizes runtime comparisons on synthetic graph matching.Source: §3.2 · pp. 5–6, Figure 2 · p. 6
4 Related Work
Related work establishes GW discrepancy as a tool for relational matching and graph analysis, while prior large-scale graph applications remain computationally challenging.
4 Related Work
- GW discrepancy has supported matching problems including 3D-object registration and cross-language vocabulary matching.Prior extensions also combine GW discrepancy with Wasserstein discrepancy, node embeddings, or adversarial learning.Source: §4 · p. 6
- Existing graph partitioning methods heuristically explore node clustering through modularity maximization, while graph matching supports network alignment and object registration.The paper positions GWL as a unified framework for these two graph-analysis problems.Source: §4 · p. 6
5 Experiments
Experiments evaluate GWL and S-GWL for graph partitioning, two-graph matching, and multi-graph matching against established baselines on synthetic and real-world data. The methods generally achieve strong accuracy, robustness to noise, and improved efficiency, with S-GWL offering a favorable accuracy–runtime trade-off.
Graph partitioning
- GWL consistently outperforms partitioning baselines on AMI and is faster than most competitors except Metis.Its runtime is especially competitive on sparse graphs, where E = O(V log V).Source: §5.1 · p. 7
- On real-world partitioning datasets, GWL is at least comparable on raw data and more robust to noise than other methods.The evaluation adds 10% noisy inter-community edges to email and village networks.Source: §5.1 · p. 7
Two-graph matching
- On synthetic matching tasks, GW discrepancy-based methods achieve higher node correctness than heuristic methods.GWL+Emb has the highest node correctness, while GWL is about 10 times faster and S-GWL further accelerates it.Source: §5.2 · p. 7
- S-GWL achieves high node correctness with runtime comparable to the fastest matching methods, including HubAlign and NETAL.The recursive mechanism provides additional acceleration over the original GWL framework.Source: §5.2 · p. 7
- On real-world matching tasks, GW discrepancy-based methods outperform others in node correctness, especially for highly noisy graphs.S-GWL achieves a good trade-off between accuracy and efficiency.Source: §5.2 · p. 8
Multi-graph matching
- For multi-graph matching on yeast networks, GWL and S-GWL obtain performance comparable to MultiAlign on three-graph matching, with GWL performing best.Several alternative methods are impractical for the evaluated graph sizes because of time or memory requirements.Source: §5.2 · p. 8
6 Conclusion and Future Work
S-GWL provides a theoretically supported unified framework for large-scale graph partitioning and matching, but its performance depends sensitively on hyperparameter settings.
- S-GWL unifies large-scale graph partitioning and matching within a theoretically supported Gromov-Wasserstein learning framework.Source: §6 · p. 8
- S-GWL is sensitive to hyperparameters, particularly γ, a, and b, which significantly influence performance.For large-scale graphs, γ generally must be large and solving the associated problem requires many iterations.Source: §6 · p. 8
- Future work will study how hyperparameters affect convergence and adapt their settings to observed data.Source: §6 · p. 8
- The method’s decomposition of large graphs into independent small graphs may support further acceleration through parallel processing or distributed learning.Source: §6 · p. 8
A.1 The GWL framework for different tasks
The GWL framework implements graph matching and partitioning through proximal-gradient optimal transport, recursively applying K-way partitioning for scalable multi-graph processing.
Graph matching
- Graph matching computes a proximal-gradient transport and assigns each source node to the target node with maximum transport value.Source: §A.1 · p. 12
Graph partitioning
- Graph partitioning constructs a K-node disconnected graph, computes transport to it, and assigns each input node to its highest-transport cluster.Source: §A.1 · p. 12
Multi-graph matching
- Multi-graph matching initializes equal graph weights and aggregates node correspondences across graphs through shared transport assignments.Source: §A.1 · p. 12
Recursive S-GWL
- S-GWL recursively applies multi-graph K-partitioning for R recursions, then performs two-graph or multi-graph matching on the resulting graph sets.Source: §A.2 · p. 13
A.3 Detailed complexity analysis for GWL and S-GWL
Recursive partitioning reduces GWL’s graph-scale computations, yielding S-GWL time complexity O(MK(E + V) log_K V) and memory complexity O(M(E + VK)).
GWL
- O(VE) time and O(V^2) memory characterize two-graph GWL after sparse matrix multiplication and comparable-size assumptions.Source: §A.3 · p. 13
- O(MVE) time and O(MV^2) memory characterize multi-graph GWL when graphs and the barycenter have comparable sizes.Source: §A.3 · p. 13
Partitioning
- O(EsK + VsK) time and O(Es + VsK) memory characterize partitioning against a disconnected K-node target.Source: §A.3 · p. 13
- O(MK(E + V)) time and O(M(E + VK)) memory characterize the multi-graph extension using a disconnected target.Source: §A.3 · p. 13
S-GWL
- The recursion’s final subgraphs have size O(V/K^R), and terminal matching computations can be ignored when K^R is comparable to V.Source: §A.3 · p. 14
- O(MK(E + V) log_K V) overall time and O(M(E + VK)) memory result from recursive barycenter computation across ⌊log_K V⌋ recursions.The analysis retains edge-related terms in one setting because Es can be comparable to VsK even for sparse graphs.Source: §A.3 · pp. 13–14
A.4 Usefulness of node prior
Node priors improve the convergence behavior of the regularized proximal-gradient method for computing Gromov-Wasserstein discrepancy.
- Fewer iterations and lower GW discrepancy are achieved by the node-prior regularized proximal method on two synthetic 1,000-node graphs.Its convergence is reported as faster than both the entropy-based method in and the vanilla proximal-gradient method in [49].Source: §A.4 · p. 14
B.1 Implementation details
The experiments document baseline implementations and hyperparameter handling, while emphasizing non-uniform node distributions for multi-graph partitioning and matching.
Baseline implementations
- The evaluation uses C and Python implementations of graph partitioning and graph matching baselines.The listed partitioning baselines include Metis, FastGreedy, Louvain, and Fluid; matching baselines include PISwap, GHOST, MI-GRAAL, MAGNA++, HubAlign, NETAL, and CPD+Emb.Source: §B.1 · pp. 14–15
Hyperparameters
- Baseline methods run with default settings, while GWL and S-GWL hyperparameters are set empirically across experiments.The corresponding experiment-specific settings are reported in Table 6.Source: §B.1 · p. 15, Table 6 · p. 15
Node distributions
- Non-uniform node distributions are important for S-GWL, especially in multi-graph partitioning and matching.For multi-graph partitioning, the barycenter adjacency matrix is initialized diagonally and its node distribution is estimated from observed graphs.Source: §B.1 · p. 15
- Degree-based node distributions improve partitioning consistency across different graphs.Uniform distributions can initialize the barycenter with [0.5, 0.5]^⊤ and 0.5I_2, creating an identification problem in the described case.Source: §B.1 · p. 15
B.2 Performance on some challenging cases
The method performs strongly on Gaussian partition graphs but encounters reduced node correctness and weaker acceleration on challenging Barabási–Albert and incomparable-graph cases.
Barabási–Albert graphs
- S-GWL’s strong averaged matching performance is mainly driven by Gaussian partition graphs, where it achieves high node correctness and near-fastest runtime.The reported average covers ten trials: five Gaussian random partition graphs and five Barabási–Albert graphs.Source: §B.2 · p. 15
- On Barabási–Albert graphs, GW discrepancy-based methods outperform many baselines but trail state-of-the-art methods in node correctness.This gap is reported in Figure 4(b).Source: §B.2 · p. 15
- Unequal recursive sub-graph sizes reduce S-GWL’s acceleration on Barabási–Albert graphs to about 10–20 times.The largest sub-graph determines runtime, compared with over 100 times acceleration for more balanced Gaussian partitions.Source: §B.2 · p. 15
Incomparable graphs
- Matching incomparable graphs degrades GW discrepancy-based performance, illustrated by yeast and human PPI networks with 2,340 and 9,141 nodes.The supplied passage introduces this setting as common in bioinformatics; Table 7 reports edge-correctness comparisons.Source: §B.2 · p. 15, Table 7 · p. 16
- GWL and S-GWL outperform most competitors except HubAlign and NETAL in the reported incomparable-graph experiments.The stated explanation is that optimal-transport constraints oversmooth correspondences when the target graph is much larger.Source: §B.2 · p. 16
Related papers
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