기초과학연구원 의생명수학그룹
In this talk, we discuss the paper "Large language models for scientific discovery in molecular property prediction" by Yizhen Zheng et.al., nature machine intelligence, 2025. Abstract Large language models (LLMs) …
In this talk, we discuss the paper, "Data splitting to avoid information leakage with DataSAIL" by Roman Joeres, et al., Nature Communications, 2025. Abstract Information leakage is an increasingly important …
Abstract: 임의로 정한 Initial Distribution Q1 와 Terminal Distribution Q2가 주어 졌을 때 시점과 종점 사이의 contiinious time상에 정의 되는 의미 있는 최적의 Probability Path Measure P 를 찾는 Schrodinger Bridges Problem 은 자연과학,공학, 의료 및 생명공학,경제학 및 금융공학 등의 여러 분야에 나타나는 모델들을 푸는 Unified AI Model 사용 되고 있습니다. Schrodinger Bridges Problem은 유일한 해가 존재 하는 정리는( Follmer,1988) 증명 되었으므로 데이터를 이용하여 Neural Network Models에 대한 효율적으로 학습방법, 빠른 알고리즘 연구에 집중 되고 있습니다. Tong et al 연구팀은 2023년 부터 ODE에 기반한 획기적인 생성모델인 Flow Matching for Generative Modeling 기법을 SDE 기반 Diffusion Generative Models에 접목하여 Schrodinger Bridges Problem의 해법을 제시하였습니다.
Abstract: This talk consists of two main parts. In the first part, I will discuss a numerical method for solving PDEs based on a stochastic representation of the solution. This …
In this talk, we discuss the paper "Machine learning methods trained on simple models can predict critical transitions in complex natural systems" by Smita Deb, Sahil Sidheekh, Christopher F. Clements, …
In this talk, we discuss the paper "Optimal transport for generating transition states in chemical reactions" by C. Duan et.al., Nat. Machine. Intelligence, 2025. Abstract Transition states (TSs) are transient …
In this talk, we discuss the paper "scGPT: toward building a foundation model for single-cell multi-omics using generative AI" by Haotian Cui, et.al. Nature Methods, 2024. Abstract Generative pretrained models …
Abstract: Weight calibration is a popular technique in handling covariate-shift problem in causal inference. It can be viewed as a dual optimization problem for incorporating the implicit regression model. We introduce the generalized entropy calibration as a general tool for weight calibration. Several interesting applications will be introduced in the context of causal inference. Furthermore, weight calibration can be used to transfer learning, which combines information from two different samples, one for source data and the other for target data.
In this talk, we discuss the paper "Effective Markovian dynamics method of solving non-Markovian dynamics of stochastic gene expression" by Youming Li and Chen Jia, Physical Review Letters, to appear. …
In this talk, we discuss the paper "Quantifying the energy landscape of high-dimensional oscillatory systems by diffusion decomposition" by S. Bian et.al., Cell Reports Physical Science, 2025. Abstract High-dimensional networks …
Abstract Topological Data Analysis (TDA) has emerged as a powerful framework for uncovering meaningful structure in high-dimensional, complex datasets. In this talk, we present two applications of TDA in analyzing patterns, one in …
In this talk, we discuss the paper "Circadian rhythm analysis using wearable-based accelerometry as a digital biomarker of aging and healthspan" by J. Shim et.al., npj digital medicine, 2024. Abstract …