Xiangyun Lei

Publication Activity (10 Years)

Years Active: 2016-2023
Publications (10 Years): 9

Top Topics

Simulation Models

Neural Network Training

Top Venues

J. Open Source Softw.

IEEE VIS (Short Papers)

Publications

Xiangyun Lei, Joseph Montoya
GMP-Featurizer: A parallelized Python package for efficiently computing the Gaussian Multipole features of atomic systems. CoRR (2023)
Xiangyun Lei, Edward Kim, Viktoriia Baibakova, Shijing Sun
Lessons in Reproducibility: Insights from NLP Studies in Materials Science. CoRR (2023)
Xiangyun Lei, Joseph Montoya
GMP-Featurizer: A parallelized Python package for efficiently computing the Gaussian Multipole features of atomic systems. J. Open Source Softw. 8 (89) (2023)
Muhammed Shuaibi, Yuge Hu, Xiangyun Lei, Benjamin M. Comer, Matt Adams, Jacob Paras, Rui Qi Chen, Eric Musa, Joseph Musielewicz, Andrew A. Peterson, Andrew J. Medford, Zachary W. Ulissi
AmpTorch: A Python package for scalable fingerprint-based neural network training on multi-element systems with integrated uncertainty quantification. J. Open Source Softw. 8 (87) (2023)
Xiangyun Lei, Weike Ye, Joseph Montoya, Tim Mueller, Linda Hung, Jens S. Hummelshoej
The Role of Reference Points in Machine-Learned Atomistic Simulation Models. CoRR (2023)
Xiangyun Lei, Andrew J. Medford
A Universal Framework for Featurization of Atomistic Systems. CoRR (2021)
Xiangyun Lei, Fred Hohman, Duen Horng Chau, Andrew J. Medford
ElectroLens: Understanding Atomistic Simulations Through Spatially-resolved Visualization of High-dimensional Features. CoRR (2019)
Xiangyun Lei, Fred Hohman, Duen Horng (Polo) Chau, Andrew J. Medford
ElectroLens: Understanding Atomistic Simulations through Spatially-Resolved Visualization of High-Dimensional Features. IEEE VIS (Short Papers) (2019)
Tiannan Chen, Xiangyun Lei, Hakan Demir, Christopher J. Cramer, Laura Gagliardi, Stephen J. Guy
MOF: creating an educational game on nanotechnology through simulation-driven optimization. MIG (2016)