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On Optimal Transport-based Statistical Measures for Graph Structured Data and Applications

Research Project

Project/Area Number 23K16939
Research Category

Grant-in-Aid for Early-Career Scientists

Allocation TypeMulti-year Fund
Review Section Basic Section 61030:Intelligent informatics-related
Research InstitutionHokkaido University (2024)
University of Tsukuba (2023)

Principal Investigator

NGUYEN DAIHAI  北海道大学, 情報科学研究院, 准教授 (50968401)

Project Period (FY) 2023-04-01 – 2026-03-31
Project Status Granted (Fiscal Year 2024)
Budget Amount *help
¥2,730,000 (Direct Cost: ¥2,100,000、Indirect Cost: ¥630,000)
Fiscal Year 2025: ¥520,000 (Direct Cost: ¥400,000、Indirect Cost: ¥120,000)
Fiscal Year 2024: ¥910,000 (Direct Cost: ¥700,000、Indirect Cost: ¥210,000)
Fiscal Year 2023: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Keywordsproximal MCMC sampling / optimal transport / Bayesian inference / Generative models / Constrained domains / graph kernels / graph structured data
Outline of Research at the Start

We design novel measures for graphs with the following advantages:
1) taking into account node features and global structures of graphs.
2) deriving valid kernels that can be used for kernel-based frameworks.
3) reducing the complexity of computing the pairwise distance or kernel matrices.

Outline of Annual Research Achievements

Our work has focused on generating structured data while effectively incorporating prior knowledge. To address this challenge, we formulated a general optimization problem involving the minimization of a composite objective function defined over probability distribution space. The objective consists of two components: one assumed to have a variational representation, and the other expressed in terms of the expectation operator of a possibly nonsmooth convex regularizer function, which represents the prior knowledge. We develope a general framework based on the optimal transport theory to minimize this objective. Furthermore, we also provide theoretical analyses and present experimental results to showcase the effectiveness of the proposed method.

Current Status of Research Progress
Current Status of Research Progress

1: Research has progressed more than it was originally planned.

Reason

We have achieved promising results in generating structured data through distributional optimization, with our findings published in leading conferences and journals. Looking ahead, we aim to expand our research to encompass graph data and its diverse applications.

Strategy for Future Research Activity

We plan to continue advancing optimal transport-based frameworks for solving distributional optimization problems, with a particular emphasis on applications in Bayesian inference and graph structured data.

Report

(2 results)
  • 2024 Research-status Report
  • 2023 Research-status Report
  • Research Products

    (6 results)

All 2024 2023

All Journal Article (3 results) (of which Peer Reviewed: 3 results) Presentation (3 results) (of which Int'l Joint Research: 1 results)

  • [Journal Article] Moreau-Yoshida variational transport: a general framework for solving regularized distributional optimization problems2024

    • Author(s)
      Nguyen Dai Hai、Sakurai Tetsuya
    • Journal Title

      Machine Learning

      Volume: 113 Issue: 9 Pages: 6697-6724

    • DOI

      10.1007/s10994-024-06586-z

    • Related Report
      2024 Research-status Report
    • Peer Reviewed
  • [Journal Article] Mirror variational transport: a particle-based algorithm for distributional optimization on constrained domains2023

    • Author(s)
      Nguyen Dai Hai、Sakurai Tetsuya
    • Journal Title

      Machine Learning

      Volume: 112 Issue: 8 Pages: 2845-2869

    • DOI

      10.1007/s10994-023-06350-9

    • Related Report
      2023 Research-status Report
    • Peer Reviewed
  • [Journal Article] Differentiable optimization layers enhance GNN-based mitosis detection2023

    • Author(s)
      Zhang Haishan、Nguyen Dai Hai、Tsuda Koji
    • Journal Title

      Scientific Reports

      Volume: 13 Issue: 1

    • DOI

      10.1038/s41598-023-41562-y

    • Related Report
      2023 Research-status Report
    • Peer Reviewed
  • [Presentation] moreau-yoshida variational transport: a general framework for solving regularized distributional optimization problems2024

    • Author(s)
      Dai Hai NGUYEN
    • Organizer
      European Conference on Machine Learning and Principles and Practice of Knowledge Discovery in Databases (ECML PKDD) 2024
    • Related Report
      2024 Research-status Report
    • Int'l Joint Research
  • [Presentation] Mirror variational transport: a particle-based algorithm for distributional optimization on constrained domains2023

    • Author(s)
      Nguyen Dai Hai
    • Organizer
      the European Conference on Machine Learning and Principles and Practice of Knowledge Discovery in Databases (ECML PKDD) 2023
    • Related Report
      2023 Research-status Report
  • [Presentation] On a linear fused Gromov-Wasserstein distance for graph structured data2023

    • Author(s)
      Nguyen Dai Hai
    • Organizer
      the International Workshop on Mining and Learning with Graphs, the European Conference on Machine Learning and Principles and Practice of Knowledge Discovery in Databases (ECML PKDD) 2023
    • Related Report
      2023 Research-status Report

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Published: 2023-04-13   Modified: 2025-12-26  

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