4 papers
CAST: Cross Attention based multimodal fusion of Structure and Text for materials property prediction
Jaewan Lee, Changyoung Park, Hongjun Yang +3
Recent advancements in graph neural networks (GNNs) have significantly enhanced the prediction of material properties by modeling crystal structures as graphs. However, GNNs often…
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…