2026 2026 KDD (AI for Science Track) Learning Probabilistic Compositional Representation of Crystalline Materials Namkyeong Lee, Heewoong Noh, Gyoung S. Na, and 4 more authors In ACM SIGKDD Conference on Knowledge Discovery and Data Mining (KDD), 2026 HTML Code AI4Mat MSP-LLM: A Unified Large Language Model Framework for Complete Material Synthesis Planning Heewoong Noh, Gyoung S. Na, Namkyeong Lee, and 1 more author 2026 HTML Code ICLR IR-Agent: Expert-Inspired LLM Agents for Structure Elucidation from Infrared Spectra Heewoong Noh, Namkyeong Lee, Gyoung S. Na, and 2 more authors In International Conference on Learning Representations (ICLR), 2026 HTML Code ICLR Token-Efficient Item Representation via Images for LLM Recommender Systems Kibum Kim, Sein Kim, HongSeok Kang, and 6 more authors In International Conference on Learning Representations (ICLR), 2026 HTML Code 2025 2025 NeurIPS 3D Interaction Geometric Pre-training for Molecular Relational Learning Namkyeong Lee, Yunhak Oh, Heewoong Noh, and 5 more authors In Conference on Neural Information Processing Systems (NeurIPS Spotlight), 2025 HTML Code 2024 2024 NeurIPS Retrieval-Retro: Retrieval-based Inorganic Retrosynthesis with Expert Knowledge Heewoong Noh, Namkyeong Lee, Gyoung S. Na, and 1 more author In Conference on Neural Information Processing Systems (NeurIPS), 2024 HTML Code 2023 2023 AI4Science Stoichiometry Representation Learning with Polymorphic Crystal Structures Namkyeong Lee, Heewoong Noh, Gyoung S. Na, and 3 more authors 2023 HTML Code NeurIPS Density of States Prediction of Crystalline Materials via Prompt-guided Multi-Modal Transformer Namkyeong Lee†, Heewoong Noh†, Sungwon Kim, and 3 more authors In Conference on Neural Information Processing Systems (NeurIPS), 2023 HTML Code ML4Materials Predicting Density of States via Multi-modal Transformer Namkyeong Lee†, Heewoong Noh†, Sungwon Kim, and 3 more authors 2023 HTML Code