Joseph Musielewicz

Publication Activity (10 Years)

Years Active: 2022-2024
Publications (10 Years): 6

Top Topics

Active Learning

Molecular Dynamics

Top Venues

Mach. Learn. Sci. Technol.

J. Open Source Softw.

Publications

Joseph Musielewicz, Janice Lan, Matt Uyttendaele, John R. Kitchin
Rotationally Invariant Latent Distances for Uncertainty Estimation of Relaxed Energy Predictions by Graph Neural Network Potentials. CoRR (2024)
Xiaoxiao Wang, Joseph Musielewicz, Richard Tran, Sudheesh Kumar Ethirajan, Xiaoyan Fu, Hilda Mera, John R. Kitchin, Rachel C. Kurchin, Zachary W. Ulissi
Generalization of graph-based active learning relaxation strategies across materials. Mach. Learn. Sci. Technol. 5 (2) (2024)
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)
Joseph Musielewicz, Xiaoxiao Wang, Tian Tian, Zachary Ulissi
FINETUNA: Fine-tuning Accelerated Molecular Simulations. CoRR (2022)
Joseph Musielewicz, Xiaoxiao Wang, Tian Tian, Zachary W. Ulissi
FINETUNA: fine-tuning accelerated molecular simulations. Mach. Learn. Sci. Technol. 3 (3) (2022)
Yuge Hu, Joseph Musielewicz, Zachary W. Ulissi, Andrew J. Medford
Robust and scalable uncertainty estimation with conformal prediction for machine-learned interatomic potentials. Mach. Learn. Sci. Technol. 3 (4) (2022)