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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 InstitutionUniversity of Tsukuba

Principal Investigator

NGUYEN DAIHAI  筑波大学, システム情報系, 助教 (50968401)

Project Period (FY) 2023-04-01 – 2026-03-31
Project Status Granted (Fiscal Year 2023)
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)
KeywordsGenerative models / Constrained domains / optimal transport / 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

The research aims to develop optimal transport-based learning models for structured data, along with their related extensions and applications.

This year, our main focus has been on learning to generate structured data. Generating structured data, such as graphs, poses a significant challenge due to the constraints imposed on the generated samples. To address it, we formulated the problem of generating structured data as a distribution optimization problem on constrained domains. Then we developed a general framework based on the optimal transport theory to tackle this issue. We conducted an analysis of theoretical properties and convergence of the proposed, as well as experiments on synthetic and real world data sets to demonstrate its effectiveness in generating constrained samples.

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 the topics of learning to generate structured data, with our research findings being published in top conferences and journals. Moving forward, we plan to further extend our research focus to include graph data and its applications.

Strategy for Future Research Activity

This year, our plan is to continue our efforts in developing optimal transport-based learning models tailored for graph-structured data, with a specific focus on their applications in Bioinformatics. Our research will encompass various domains within Bioinformatics, including molecular graphs, biological network data, and more.

Report

(1 results)
  • 2023 Research-status Report
  • Research Products

    (4 results)

All 2023

All Journal Article (2 results) (of which Peer Reviewed: 2 results) Presentation (2 results)

  • [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] 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: 2024-12-25  

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