DILOF: Effective and Memory Efficient Local Outlier Detection in Data Streams. - Gyoung S. Na; Donghyun Kim 007; Hwanjo Yu (KDD, 2018)

Scale-Aware Graph-Based Machine Learning for Accurate Molecular Property Prediction. - Gyoung S. Na; Hyun Woo Kim 004; Hyunju Chang (IEEE BigData, 2020)

Costless Performance Improvement in Machine Learning for Graph-Based Molecular Analysis. - Gyoung S. Na; Hyun Woo Kim 004; Hyunju Chang (J. Chem. Inf. Model., 2020)

Reverse graph self-attention for target-directed atomic importance estimation. - Gyoung S. Na; Hyun Woo Kim 004 (Neural Networks, 2021)

Conditional Graph Regression for Complex Chemical Systems with Heterogeneous Substructures. - Gyoung S. Na (IEEE Big Data, 2022)

Nonlinearity Encoding for Extrapolation of Neural Networks. - Gyoung S. Na; Chanyoung Park 001 (KDD, 2022)

Efficient learning rate adaptation based on hierarchical optimization approach. - Gyoung S. Na (Neural Networks, 2022)

Unsupervised Subspace Extraction via Deep Kernelized Clustering. - Gyoung S. Na; Hyunju Chang (ACM Trans. Knowl. Discov. Data, 2022)

Eigen-guided deep metric learning. - Gyoung S. Na (Expert Syst. Appl., 2022)

Conditional Graph Information Bottleneck for Molecular Relational Learning. - Namkyeong Lee; Dongmin Hyun; Gyoung S. Na; Sungwon Kim 002; Junseok Lee 002; Chanyoung Park 001 (ICML, 2023)

Shift-Robust Molecular Relational Learning with Causal Substructure. - Namkyeong Lee; Kanghoon Yoon; Gyoung S. Na; Sein Kim; Chanyoung Park 001 (KDD, 2023)

Density of States Prediction of Crystalline Materials via Prompt-guided Multi-Modal Transformer. - Namkyeong Lee; Heewoong Noh; Sungwon Kim 002; Dongmin Hyun; Gyoung S. Na; Chanyoung Park 001 (NeurIPS, 2023)

Predicting Density of States via Multi-modal Transformer. - Namkyeong Lee; Heewoong Noh; Sungwon Kim 002; Dongmin Hyun; Gyoung S. Na; Chanyoung Park 001 (CoRR, 2023)

Stoichiometry Representation Learning with Polymorphic Crystal Structures. - Namkyeong Lee; Heewoong Noh; Gyoung S. Na; Tianfan Fu; Jimeng Sun 001; Chanyoung Park 001 (CoRR, 2023)

Retrieval-Retro: Retrieval-based Inorganic Retrosynthesis with Expert Knowledge. - Heewoong Noh; Namkyeong Lee; Gyoung S. Na; Chanyoung Park 001 (NeurIPS, 2024)

Metaheuristics-guided active learning for optimizing reaction conditions of high-performance methane conversion. - Gyoung S. Na; Hyun Woo Kim 004 (Appl. Soft Comput., 2024)

3D Interaction Geometric Pre-training for Molecular Relational Learning. - Namkyeong Lee; Yunhak Oh; Heewoong Noh; Gyoung S. Na; Minkai Xu; Hanchen Wang 002; Tianfan Fu; Chanyoung Park 001 (CoRR, 2024)

Self-Supervised Diffusion Models for Electron-Aware Molecular Representation Learning. - Gyoung S. Na; Chanyoung Park 001 (ICLR, 2025)

Electron-Informed Coarse-Graining Molecular Representation Learning for Real-World Molecular Physics. - Gyoung S. Na; Chanyoung Park 001 (KDD (1), 2025)