Yijingxiu Lu — accepted AI-conference papers

2025

CombiMOTS: Combinatorial Multi-Objective Tree Search for Dual-Target Molecule Generation

Thibaud Southiratn, Bonil Koo, Yijingxiu Lu, Sun Kim

ICML 2025poster

Dual-target molecule generation, which focuses on discovering compounds capable of interacting with two target proteins, has garnered significant attention due to its potential for improving therapeutic efficiency, safety and resistance mitigation. Existing approaches face two critical challenges. F…

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2024

Improving Out-of-Distribution Generalization in Graphs via Hierarchical Semantic Environments

Yinhua Piao, Sangseon Lee, Yijingxiu Lu, Sun Kim

CVPR 2024poster

Out-of-distribution (OOD) generalization in the graph domain is challenging due to complex distribution shifts and a lack of environmental contexts. Recent methods attempt to enhance graph OOD generalization by generating flat environments. However such flat environments come with inherent limitatio…

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