Gyoung S. Na

CoRR, April, 2026

MSP-LLM: A Unified Large Language Model Framework for Complete Material Synthesis Planning.

[BibT_eX]

[DOI]

CoRR, February, 2026

Electron-Informed Coarse-Graining Molecular Representation Learning for Real-World Molecular Physics.

[BibT_eX]

[DOI]

CoRR, February, 2026

2025

A quantum chemical dataset of interacting molecular pairs for chemical reaction studies.

[BibT_eX]

[DOI]

Seunghun Jang

J. Cheminformatics, December, 2025

IR-Agent: Expert-Inspired LLM Agents for Structure Elucidation from Infrared Spectra.

[BibT_eX]

[DOI]

CoRR, August, 2025

Electron-Informed Coarse-Graining Molecular Representation Learning for Real-World Molecular Physics.

[BibT_eX]

[DOI]

Proceedings of the 31st ACM SIGKDD Conference on Knowledge Discovery and Data Mining, V.1, 2025

Self-Supervised Diffusion Models for Electron-Aware Molecular Representation Learning.

[BibT_eX]

[DOI]

Proceedings of the Thirteenth International Conference on Learning Representations, 2025

2024

3D Interaction Geometric Pre-training for Molecular Relational Learning.

[BibT_eX]

[DOI]

CoRR, 2024

Metaheuristics-guided active learning for optimizing reaction conditions of high-performance methane conversion.

[BibT_eX]

[DOI]

Appl. Soft Comput., 2024

Retrieval-Retro: Retrieval-based Inorganic Retrosynthesis with Expert Knowledge.

[BibT_eX]

[DOI]

Proceedings of the Advances in Neural Information Processing Systems 37: Annual Conference on Neural Information Processing Systems 2024, 2024

2023

Stoichiometry Representation Learning with Polymorphic Crystal Structures.

[BibT_eX]

[DOI]

CoRR, 2023

Predicting Density of States via Multi-modal Transformer.

[BibT_eX]

[DOI]

CoRR, 2023

Density of States Prediction of Crystalline Materials via Prompt-guided Multi-Modal Transformer.

[BibT_eX]

[DOI]

Proceedings of the Advances in Neural Information Processing Systems 36: Annual Conference on Neural Information Processing Systems 2023, 2023

Shift-Robust Molecular Relational Learning with Causal Substructure.

[BibT_eX]

[DOI]

Proceedings of the 29th ACM SIGKDD Conference on Knowledge Discovery and Data Mining, 2023

Conditional Graph Information Bottleneck for Molecular Relational Learning.

[BibT_eX]

[DOI]

Proceedings of the International Conference on Machine Learning, 2023

2022

Eigen-guided deep metric learning.

[BibT_eX]

[DOI]

Expert Syst. Appl., October, 2022

Unsupervised Subspace Extraction via Deep Kernelized Clustering.

[BibT_eX]

[DOI]

Hyunju Chang

ACM Trans. Knowl. Discov. Data, 2022

Efficient learning rate adaptation based on hierarchical optimization approach.

[BibT_eX]

[DOI]

Neural Networks, 2022

Nonlinearity Encoding for Extrapolation of Neural Networks.

[BibT_eX]

[DOI]

Proceedings of the KDD '22: The 28th ACM SIGKDD Conference on Knowledge Discovery and Data Mining, Washington, DC, USA, August 14, 2022

Conditional Graph Regression for Complex Chemical Systems with Heterogeneous Substructures.

[BibT_eX]

[DOI]

Proceedings of the IEEE International Conference on Big Data, 2022

2021

Reverse graph self-attention for target-directed atomic importance estimation.

[BibT_eX]

[DOI]

Neural Networks, 2021

2020

Costless Performance Improvement in Machine Learning for Graph-Based Molecular Analysis.

[BibT_eX]

[DOI]

Hyunju Chang

J. Chem. Inf. Model., 2020

Scale-Aware Graph-Based Machine Learning for Accurate Molecular Property Prediction.

[BibT_eX]

[DOI]

Hyunju Chang

Proceedings of the 2020 IEEE International Conference on Big Data (IEEE BigData 2020), 2020

2018

DILOF: Effective and Memory Efficient Local Outlier Detection in Data Streams.

[BibT_eX]

[DOI]