515 citations · 580 across the 6 of their papers we have counts for
7 papers
RetroPlanner: Multi-Route Expansion and Multi-Objective Reasoning for LLM-Based Retrosynthesis Planning
Ye Rin Kim, Yongjun Jeong, Seongjun Yun +4
Multi-step retrosynthesis planning is often considered solved once a route to purchasable starting materials is found, but such a route should also be practical in real-world chemi…
Machine Learning Hamiltonians are Accurate Energy-Force Predictors
Seongsu Kim, Chanhui Lee, Yoonho Kim +7
Recently, machine learning Hamiltonian (MLH) models have gained traction as fast approximations of electronic structures such as orbitals and electron densities, while also enablin…
Neo-GNNs: Neighborhood Overlap-aware Graph Neural Networks for Link Prediction
Seongjun Yun, Seoyoon Kim, Junhyun Lee +2
Graph Neural Networks (GNNs) have been widely applied to various fields for learning over graph-structured data. They have shown significant improvements over traditional heuristic…
Deformable Graph Transformer
Jinyoung Park, Seongjun Yun, Hyeonjin Park +5
Transformer-based models have recently shown success in representation learning on graph-structured data beyond natural language processing and computer vision. However, the succes…
Graph Transformer Networks: Learning Meta-path Graphs to Improve GNNs
Seongjun Yun, Minbyul Jeong, Sungdong Yoo +5
Graph Neural Networks (GNNs) have been widely applied to various fields due to their powerful representations of graph-structured data. Despite the success of GNNs, most existing G…
Graph Transformer Networks
Seongjun Yun, Minbyul Jeong, Raehyun Kim +2
Graph neural networks (GNNs) have been widely used in representation learning on graphs and achieved state-of-the-art performance in tasks such as node classification and link pred…
Ranking Paragraphs for Improving Answer Recall in Open-Domain Question Answering
Jinhyuk Lee, Seongjun Yun, Hyunjae Kim +2
Recently, open-domain question answering (QA) has been combined with machine comprehension models to find answers in a large knowledge source. As open-domain QA requires retrieving…