Kanji Uchino — accepted AI-conference papers

2023

Automated Data Augmentations for Graph Classification

Youzhi Luo, Michael Curtis McThrow, Wing Yee Au, Tao Komikado, Kanji Uchino, Koji Maruhashi +1

ICLR 2023poster

Data augmentations are effective in improving the invariance of learning machines. We argue that the core challenge of data augmentations lies in designing data transformations that preserve labels. This is relatively straightforward for images, but much more challenging for graphs. In this work, we…

Cited by 38 Source ↗PDF ↗Scholar ↗

2022

Generating 3D Molecules for Target Protein Binding

Meng Liu, Youzhi Luo, Kanji Uchino, Koji Maruhashi, Shuiwang Ji

ICML 2022oral

A fundamental problem in drug discovery is to design molecules that bind to specific proteins. To tackle this problem using machine learning methods, here we propose a novel and effective framework, known as GraphBP, to generate 3D molecules that bind to given proteins by placing atoms of specific t…

Cited by 162 Source ↗PDF ↗code ↗Scholar ↗