activity
20222026
most citedAccurate, reliable and interpretable solubility prediction of druglike molecules with attention pooling and Bayesian learning

3 citations · 3 across the 10 of their papers we have counts for

collaborators

11 papers

cs.CL2026

Are You the A-hole? A Fair, Multi-Perspective Ethical Reasoning Framework

Sheza Munir, Ahanaf Rodoshi, Sumin Lee +3

Standard methods for aggregating natural language judgments, such as majority voting, often fail to produce logically consistent results when applied to high-conflict domains, trea…

cs.HC2026

I'm Fine, But My Voice Isn't: Cross-Modal Affective Dissonance Detection for Reflective Journaling

Sumin Lee

Digital journaling creates an authenticity gap: users consciously translate raw emotions into text, often sanitizing narratives even in private writing. We formalize this as Cross-…

cs.LG2025

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…

cs.DB2025

ORCA: ORchestrating Causal Agent

Joanie Hayoun Chung, Sumin Lee, Sungbin Lim

Causal analysis on relational databases is challenging, as analysis datasets must be repeatedly queried from complex schemas. Recent LLM systems can automate individual steps, but…

cs.LG2025

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…

cs.LG2025

Geometric Embedding Alignment via Curvature Matching in Transfer Learning

Sung Moon Ko, Jaewan Lee, Sumin Lee +3

Geometrical interpretations of deep learning models offer insightful perspectives into their underlying mathematical structures. In this work, we introduce a novel approach that le…

cs.LG2024

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…

cs.LG2024

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…

cs.LG2024

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…

cs.AI2023

Geometrically Aligned Transfer Encoder for Inductive Transfer in Regression Tasks

Sung Moon Ko, Sumin Lee, Dae-Woong Jeong +2

Transfer learning is a crucial technique for handling a small amount of data that is potentially related to other abundant data. However, most of the existing methods are focused o…

q-bio.BM2022★ 3 cited

Accurate, reliable and interpretable solubility prediction of druglike molecules with attention pooling and Bayesian learning

Seongok Ryu, Sumin Lee

In drug discovery, aqueous solubility is an important pharmacokinetic property which affects absorption and assay availability of drug. Thus, in silico prediction of solubility has…