4 papers · 1 filter
Score-informed Neural Operator for Enhancing Ordering-based Causal Discovery
Jiyeon Kang, Songseong Kim, Chanhui Lee +6
Ordering-based approaches to causal discovery identify topological orders of causal graphs, providing scalable alternatives to combinatorial search methods. Under the Additive Nois…
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…
Mol-LLM: Multimodal Generalist Molecular LLM with Improved Graph Utilization
Chanhui Lee, Hanbum Ko, Yuheon Song +6
Recent advances in large language models (LLMs) have led to models that tackle diverse molecular tasks, such as chemical reaction prediction and molecular property prediction. Larg…
Scalable Multi-Task Transfer Learning for Molecular Property Prediction
Chanhui Lee, Dae-Woong Jeong, Sung Moon Ko +6
Molecules have a number of distinct properties whose importance and application vary. Often, in reality, labels for some properties are hard to achieve despite their practical impo…