activity
20212026
most citedA generative model for molecule generation based on chemical reaction trees

18 citations · 41 across the 5 of their papers we have counts for

collaborators

5 papers

cs.LG2026

A dictionary learning framework for graphs via filters and optimal transport

Jinchuan Liao, Dai Hai Nguyen

We propose a graph dictionary learning (GDL) framework where each graph is represented as a zero-mean Gaussian distribution derived from its filtered Laplacian. Each observed graph…

cs.LG2026

Accelerated Multiple Wasserstein Gradient Flows for Multi-objective Distributional Optimization

Dai Hai Nguyen, Duc Dung Nguyen, Atsuyoshi Nakamura +1

We study multi-objective optimization over probability distributions in Wasserstein space. Recently, Nguyen et al. (2025) introduced Multiple Wasserstein Gradient Descent (MWGraD)…

cs.LG2022★ 11 cited

On a linear fused Gromov-Wasserstein distance for graph structured data

Dai Hai Nguyen, Koji Tsuda

We present a framework for embedding graph structured data into a vector space, taking into account node features and topology of a graph into the optimal transport (OT) problem. T…

cs.LG2021★ 12 cited

Learning subtree pattern importance for Weisfeiler-Lehmanbased graph kernels

Dai Hai Nguyen, Canh Hao Nguyen, Hiroshi Mamitsuka

Graph is an usual representation of relational data, which are ubiquitous in manydomains such as molecules, biological and social networks. A popular approach to learningwith graph…

cs.AI2021★ 18 cited

A generative model for molecule generation based on chemical reaction trees

Dai Hai Nguyen, Koji Tsuda

Deep generative models have been shown powerful in generating novel molecules with desired chemical properties via their representations such as strings, trees or graphs. However,…