6 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…
CAMILA: Context-Aware Masking for Image Editing with Language Alignment
Hyunseung Kim, Chiho Choi, Srikanth Malla +3
Text-guided image editing has been allowing users to transform and synthesize images through natural language instructions, offering considerable flexibility. However, most existin…
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…
Task Addition in Multi-Task Learning by Geometrical Alignment
Soorin Yim, Dae-Woong Jeong, Sung Moon Ko +4
Training deep learning models on limited data while maintaining generalization is one of the fundamental challenges in molecular property prediction. One effective solution is tran…
Materials Discovery with Extreme Properties via Reinforcement Learning-Guided Combinatorial Chemistry
Hyunseung Kim, Haeyeon Choi, Dongju Kang +2
The goal of most materials discovery is to discover materials that are superior to those currently known. Fundamentally, this is close to extrapolation, which is a weak point for m…
Multitask Extension of Geometrically Aligned Transfer Encoder
Sung Moon Ko, Sumin Lee, Dae-Woong Jeong +4
Molecular datasets often suffer from a lack of data. It is well-known that gathering data is difficult due to the complexity of experimentation or simulation involved. Here, we lev…