5 papers
Atom-level Protein Representation Learning Improves Protein Structure Prediction
Taewon Kim, Hyosoon Jang, Hyunjin Seo +6
Recent advances in generative modeling show that pretrained representations can improve generation as conditioning features or alignment targets. Motivated by this, we study protei…
A Systematic Evaluation of Co-folding Model Representations for Small-Molecule Learning
Hyosoon Jang, Hyunjin Seo, Honghui Kim +4
Small-molecule foundation models are typically pretrained on standalone molecular data, unlike vision and language models that often benefit from cross-modal or relational supervis…
Self-Training Large Language Models with Confident Reasoning
Hyosoon Jang, Yunhui Jang, Sungjae Lee +2
Large language models (LLMs) have shown impressive performance by generating reasoning paths before final answers, but learning such a reasoning path requires costly human supervis…
Can LLMs Generate Diverse Molecules? Towards Alignment with Structural Diversity
Hyosoon Jang, Yunhui Jang, Jaehyung Kim +1
Recent advancements in large language models (LLMs) have demonstrated impressive performance in molecular generation, which offers potential to accelerate drug discovery. However,…
Pessimistic Backward Policy for GFlowNets
Hyosoon Jang, Yunhui Jang, Minsu Kim +2
This paper studies Generative Flow Networks (GFlowNets), which learn to sample objects proportionally to a given reward function through the trajectory of state transitions. In thi…