Preprints Preprint RAG-Enhanced Collaborative LLM Agents for Drug Discovery Namkyeong Lee, Edward De Brouwer, Ehsan Hajiramezanali, Chanyoung Park, and Gabriele Scalia Under Review, 2025 HTML Preprint 3D Interaction Geometric Pre-training for Molecular Relational Learning Namkyeong Lee, Yunhak Oh, Heewoong Noh, Gyoung S. Na, Minkai Xu, Hanchen Wang, Tianfan Fu, and Chanyoung Park Under Review, 2025 HTML Code Preprint Protein-Mamba: Biological Mamba Models for Protein Function Prediction Bohao Xu, Yingzhou Lu, Yoshitaka Inoue, Namkyeong Lee, Tianfan Fu, and Jintai Chen Under Review, 2025 HTML Code Preprint Compositional Representation of Polymorphic Crystalline Materials Namkyeong Lee, Heewoong Noh, Gyoung S. Na, Jimeng Sun, Tianfan Fu, Marinka Zitnik, and Chanyoung Park Under Review, 2025 HTML Code International Conferences ICLR Subgraph Federated Learning for Local Generalization Sungwon Kim, Yoonho Lee, Yunhak Oh, Namkyeong Lee, Sukwon Yun, Junseok Lee, Sein Kim, Carl Yang, and Chanyoung Park In International Conference on Learning Representations (ICLR), 2025 HTML Code NeurIPS Implicit Precursor Extraction with Expert Retriever for Inorganic Retrosynthesis Heewoong Noh, Namkyeong Lee, Gyoung S. Na, and Chanyoung Park In Conference on Neural Information Processing Systems (NeurIPS), 2024 HTML Code CIKM Vision Language Model is NOT All You Need: Augmentation Strategies for Molecule Language Model Namkyeong Lee, Siddhartha Laghuvarapu, Chanyoung Park, and Jimeng Sun In ACM International Conference on Information and Knowledge Management (CIKM), 2024 HTML Code CIKM Debiased Graph Poisoning Attack via Contrastive Surrogate Objective Kanghoon Yoon, Yeonjun In, Namkyeong Lee, Kibum Kim, and Chanyoung Park In ACM International Conference on Information and Knowledge Management (CIKM), 2024 HTML Code NeurIPS Density of States Prediction of Crystalline Materials via Prompt-guided Multi-Modal Transformer Namkyeong Lee†, Heewoong Noh†, Sungwon Kim, Dongmin Hyun, Gyoung S. Na, and Chanyoung Park In Conference on Neural Information Processing Systems (NeurIPS), 2023 HTML Code KDD Shift-Robust Molecular Relational Learning with Causal Substructure Namkyeong Lee, Kanghoon Yoon, Gyoung S. Na, Sein Kim, and Chanyoung Park In ACM SIGKDD Conference on Knowledge Discovery and Data Mining (KDD), 2023 HTML Code Slides Video News KDD Task Relation-aware Continual User Representation Learning Sein Kim, Namkyeong Lee, Donghyun Kim, Min-Chul Yang, and Chanyoung Park In ACM SIGKDD Conference on Knowledge Discovery and Data Mining (KDD), 2023 HTML Code Slides Video KDD Task-Equivariant Graph Few-shot Learning Sungwon Kim, Junseok Lee, Namkyeong Lee, Wonjoong Kim, Seungyoon Choi, and Chanyoung Park In ACM SIGKDD Conference on Knowledge Discovery and Data Mining (KDD), 2023 HTML Code Slides Video ICML Conditional Graph Information Bottleneck for Molecular Relational Learning Namkyeong Lee, Dongmin Hyun, Gyoung S. Na, Sungwon Kim, Junseok Lee, and Chanyoung Park In International Conference on Machine Learning (ICML), 2023 HTML Code Slides Video News AAAI Heterogeneous Graph Learning for Multi-modal Medical Data Analysis Sein Kim, Namkyeong Lee, Junseok Lee, Dongmin Hyun, and Chanyoung Park In AAAI Conference on Artificial Intelligence (AAAI), 2023 HTML Code Slides CIKM Relational Self-Supervised Learning on Graphs Namkyeong Lee, Dongmin Hyun, Junseok Lee, and Chanyoung Park In ACM International Conference on Information and Knowledge Management (CIKM), 2022 HTML Code Slides News SIGIR Short GraFN: Semi-Supervised Graph Node Classification with Few Labels via Non-Parametric Distribution Assignment Junseok Lee, Yunhak Oh, Yeonjun In, Namkyeong Lee, Dongmin Hyun, and Chanyoung Park In ACM SIGIR Conference on Research and Development in Information Retrieval (SIGIR), 2022 HTML Code Slides AAAI Augmentation-Free Self-Supervised Learning on Graphs Namkyeong Lee, Junseok Lee, and Chanyoung Park In AAAI Conference on Artificial Intelligence (AAAI), 2022 HTML Code Slides International Journals Bioinformatics Deep single-cell RNA-seq data clustering with graph prototypical contrastive learning Junseok Lee, Sungwon Kim, Dongmin Hyun, Namkyeong Lee, Yejin Kim, and Chanyoung Park Bioinformatics, 2023 HTML Code Info Sci Self-Supervised Graph Representation Learning via Positive Mining Namkyeong Lee, Junseok Lee, and Chanyoung Park Information Sciences, 2022 HTML Code