4 papers
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…
Geometric Embedding Alignment via Curvature Matching in Transfer Learning
Sung Moon Ko, Jaewan Lee, Sumin Lee +3
Geometrical interpretations of deep learning models offer insightful perspectives into their underlying mathematical structures. In this work, we introduce a novel approach that le…
MolMole: Molecule Mining from Scientific Literature
LG AI Research, Sehyun Chun, Jiye Kim +31
The extraction of molecular structures and reaction data from scientific documents is challenging due to their varied, unstructured chemical formats and complex document layouts. T…
Lattice Lingo: Effect of Textual Detail on Multimodal Learning for Property Prediction of Crystals
Mrigi Munjal, Jaewan Lee, Changyoung Park +1
Most prediction models for crystal properties employ a unimodal perspective, with graph-based representations, overlooking important non-local information that affects crystal prop…