2 papers
cs.AI2026
MolHIT: Advancing Molecular-Graph Generation with Hierarchical Discrete Diffusion Models
Hojung Jung, Rodrigo Hormazabal, Jaehyeong Jo +5
Molecular generation with diffusion models has emerged as a promising direction for AI-driven drug discovery and materials science. While graph diffusion models have been widely ad…
cs.LG2025
Towards a Generalizable AI for Materials Discovery: Validation through Immersion Coolant Screening
Hyunseung Kim, Dae-Woong Jeong, Changyoung Park +11
Artificial intelligence (AI) has emerged as a powerful accelerator of materials discovery, yet most existing models remain problem-specific, requiring additional data collection an…