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20232026
most citedCan LLMs Generate Diverse Molecules? Towards Alignment with Structural Diversity

3 citations · 6 across the 15 of their papers we have counts for

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9 papers · 1 filter

cs.LG2025★ 1 cited

Explainability-Driven Feature Engineering for Mid-Term Electricity Load Forecasting in ERCOT's SCENT Region

Abhiram Bhupatiraju, Sung Bum Ahn

Accurate load forecasting is essential to the operation of modern electric power systems. Given the sensitivity of electricity demand to weather variability and temporal dynamics,…

cs.LG2025

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…

cs.LG2025

Improving Chemical Understanding of LLMs via SMILES Parsing

Yunhui Jang, Jaehyung Kim, Sungsoo Ahn

Large language models (LLMs) are increasingly recognized as powerful tools for scientific discovery, particularly in molecular science. A fundamental requirement for these models i…

cs.LG2024

Structural Reasoning Improves Molecular Understanding of LLM

Yunhui Jang, Jaehyung Kim, Sungsoo Ahn

Recently, large language models (LLMs) have shown significant progress, approaching human perception levels. In this work, we demonstrate that despite these advances, LLMs still st…

cs.LG2024★ 3 cited

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,…

cs.LG2024

Tackling Prevalent Conditions in Unsupervised Combinatorial Optimization: Cardinality, Minimum, Covering, and More

Fanchen Bu, Hyeonsoo Jo, Soo Yong Lee +2

Combinatorial optimization (CO) is naturally discrete, making machine learning based on differentiable optimization inapplicable. Karalias & Loukas (2020) adapted the probabilistic…

cs.LG2024★ 1 cited

Hybrid Neural Representations for Spherical Data

Hyomin Kim, Yunhui Jang, Jaeho Lee +1

In this paper, we study hybrid neural representations for spherical data, a domain of increasing relevance in scientific research. In particular, our work focuses on weather and cl…

cs.LG2023

Triplet Edge Attention for Algorithmic Reasoning

Yeonjoon Jung, Sungsoo Ahn

This work investigates neural algorithmic reasoning to develop neural networks capable of learning from classical algorithms. The main challenge is to develop graph neural networks…

cs.LG2023

A Simple and Scalable Representation for Graph Generation

Yunhui Jang, Seul Lee, Sungsoo Ahn

Recently, there has been a surge of interest in employing neural networks for graph generation, a fundamental statistical learning problem with critical applications like molecule…