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Machine Learning for Structure-Rich Data-Scarce Domains

Research Project

Project/Area Number 22K12150
Research Category

Grant-in-Aid for Scientific Research (C)

Allocation TypeMulti-year Fund
Section一般
Review Section Basic Section 61030:Intelligent informatics-related
Research InstitutionKyoto University

Principal Investigator

NGUYEN Canh・Hao  京都大学, 化学研究所, 講師 (90626889)

Project Period (FY) 2022-04-01 – 2025-03-31
Project Status Granted (Fiscal Year 2023)
Budget Amount *help
¥4,160,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥960,000)
Fiscal Year 2024: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2023: ¥1,300,000 (Direct Cost: ¥1,000,000、Indirect Cost: ¥300,000)
Fiscal Year 2022: ¥1,560,000 (Direct Cost: ¥1,200,000、Indirect Cost: ¥360,000)
KeywordsGraph neural networks / Convex Clustering / machine learning / Machine learning / Structured data / Deep learning / Sparse learning
Outline of Research at the Start

There are three directions of this research project:
(1) investigating original machine learning models for complicated structures,
(2) designing novel structure discovery tools incorporating domain knowledge, and
(3) discovering new biomedical knowledge to be used by domain experts.

Outline of Annual Research Achievements

In this year, we are working on representation of data that are faithful to the original features as well as having cluster structures. We investigated the method of convex clustering to obtain a representation using a convex program, which is efficient and globally optimal.

The key idea is to assume that data follows cluster structures. For that, we cluster the data using convex clustering. The advantage of convex clustering is that it is a convex program that guarantees optimality. Another advantage is that it offers a relaxation of k-means and agglomerative clustering algorithms, offering potential advantages of the two algorithms.

Our main work here is to analyze analytically what are the clusters that are obtained by convex clustering, pros and cons compared to the other two algorithms. We found that convex cluster only can learn convex clusters. This is similar to k-means and different from agglomerative clustering. We also found that the clusters can be bounded in balls, making them round-shaped. These clusters are found to have gaps between them. These properties show that convex clustering found rather specific types of clusters, rather inflexible compare to the other algorithms.

Current Status of Research Progress
Current Status of Research Progress

3: Progress in research has been slightly delayed.

Reason

We are working on a particular problem with the difficulty of understanding the formulation of convex clustering, which has not been well studied before.

Strategy for Future Research Activity

We plan to continue working on finding suitable representations of data from original features with additional information such as graphs that are guaranteed to extract more information compared to currently used methods.

Report

(2 results)
  • 2023 Research-status Report
  • 2022 Research-status Report
  • Research Products

    (2 results)

All 2023 2022

All Journal Article (2 results) (of which Int'l Joint Research: 1 results,  Peer Reviewed: 2 results,  Open Access: 1 results)

  • [Journal Article] Central-Smoothing Hypergraph Neural Networks for Predicting Drug?Drug Interactions2023

    • Author(s)
      Nguyen Duc Anh、Nguyen Canh Hao、Mamitsuka Hiroshi
    • Journal Title

      IEEE Transactions on Neural Networks and Learning Systems

      Volume: 0 Issue: 8 Pages: 1-6

    • DOI

      10.1109/tnnls.2023.3261860

    • Related Report
      2022 Research-status Report
    • Peer Reviewed
  • [Journal Article] SPARSE: a sparse hypergraph neural network for learning multiple types of latent combinations to accurately predict drug?drug interactions2022

    • Author(s)
      Nguyen Duc Anh、Nguyen Canh Hao、Petschner Peter、Mamitsuka Hiroshi
    • Journal Title

      Bioinformatics

      Volume: 38 Issue: Supplement_1 Pages: i333-i341

    • DOI

      10.1093/bioinformatics/btac250

    • Related Report
      2022 Research-status Report
    • Peer Reviewed / Open Access / Int'l Joint Research

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Published: 2022-04-19   Modified: 2024-12-25  

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