Search Results for author: Peiran Jin

Found 3 papers, 0 papers with code

Physical Consistency Bridges Heterogeneous Data in Molecular Multi-Task Learning

no code implementations14 Oct 2024 Yuxuan Ren, Dihan Zheng, Chang Liu, Peiran Jin, Yu Shi, Lin Huang, Jiyan He, Shengjie Luo, Tao Qin, Tie-Yan Liu

To support various molecular properties at scale, machine learning models are trained in the multi-task learning paradigm.

Multi-Task Learning

Towards Predicting Equilibrium Distributions for Molecular Systems with Deep Learning

no code implementations8 Jun 2023 Shuxin Zheng, Jiyan He, Chang Liu, Yu Shi, Ziheng Lu, Weitao Feng, Fusong Ju, Jiaxi Wang, Jianwei Zhu, Yaosen Min, He Zhang, Shidi Tang, Hongxia Hao, Peiran Jin, Chi Chen, Frank Noé, Haiguang Liu, Tie-Yan Liu

In this paper, we introduce a novel deep learning framework, called Distributional Graphormer (DiG), in an attempt to predict the equilibrium distribution of molecular systems.

Deep Learning

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