表題番号:2024C-706 日付:2025/02/04
研究課題確率的生成モデルと最適化アルゴリズムの研究
研究者所属(当時) 資格 氏名
(代表者) 理工学術院 基幹理工学部 教授 笠井 裕之
研究成果概要
In this research period, I have done two topics:

(1) Stable Multidimensional Scaling (MDS)
Multidimensional Scaling (MDS) is an essential technique in multivariate analysis, with Weighted MDS (WMDS) commonly employed for tasks such as dimensionality reduction and graph drawing. However, the optimization of WMDS poses significant challenges due to the highly non-convex nature of its objective function. To mitigate the computational challenge, we introduce StableMDS, a novel gradient descent-based method that reduces the computational complexity to n^2*p per iteration. StableMDS achieves this computational efficiency by applying gradient descent independently to each point, thereby eliminating the need for costly matrix operations inherent in Stress Majorization. Furthermore, we ensure non-increasing loss values and optimization stability akin to Stress Majorization. These advancements enhance computational efficiency and maintain stability, thereby broadening the applicability of WMDS to larger datasets.

(2) Self-supervised Subgraph Neural Network With Deep Reinforcement Walk Exploration
With its structurally variable nature, graph data represents complex real-world phenomena like chemical compounds, protein structures, and social networks. Traditional Graph Neural Networks (GNNs) primarily utilize the message-passing mechanism, but their expressive power is limited and their prediction lacks explainability. To address these limitations, researchers have focused on graph substructures. Subgraph neural networks (SGNNs) and GNN explainers have emerged as potential solutions, but each has limitations. To overcome these issues, we propose a novel self-supervised framework that integrates SGNNs with the generation approach of GNN explainers, the Reinforcement Walk Exploration SGNN (RWE-SGNN). Our approach features a sampling model trained in an explainer fashion, optimizing subgraphs to enhance model performance. Unlike traditional subgraph generation approaches, we propose a novel walk exploration process that efficiently extracts important substructures, simplifying the embedding process and avoiding isomorphism problems to achieve a data-driven sampling approach. Moreover, we prove that our proposed walk exploration process has equivalent generation capability to the traditional subgraph generation process. Experimental results on various graph datasets validate the effectiveness of our proposed method, demonstrating significant improvements in performance and precision.