Ying Wai Li

24 papers A 1B 2Journal 17Unranked 4
YearRankTypeTitle / Venue / Authors
2026 J jnl
Accelerating multicanonical sampling with irreversibility.
Comput. Phys. Commun.
Thomas Vogel, Ying Wai Li
2025 J jnl
Best of both worlds: Enforcing detailed balance in machine learning models of transition rates.
Comput. Phys. Commun.
Anjana Anu Talapatra, Anup Pandey, Matthew S. Wilson, Ying Wai Li, Ghanshyam Pilania, Blas Pedro Uberuaga, Danny Perez
2025 J jnl
Ensemble Knowledge Distillation for Machine Learning Interatomic Potentials.
CoRR
Sakib Matin, Emily Shinkle, Yulia Pimonova, Galen T. Craven, Aleksandra Pachalieva, Ying Wai Li, Kipton Barros, Nicholas Lubbers
2025 J jnl
OmniInput: An Evaluation Framework for Deep Learning Models on Internet-Scale Data.
Trans. Mach. Learn. Res.
Weitang Liu, Yuelei Li, Ying Wai Li, Zihan Wang, Yi-Zhuang You, Jingbo Shang
2025 J jnl
Sunny.jl: A Julia Package for Spin Dynamics.
J. Open Source Softw.
David Dahlbom, Hao Zhang, Cole Miles, Sam Quinn, Alin Niraula, Bhushan Thipe, Matthew Wilson, Sakib Matin, Het Mankad, Steven Hahn, Daniel Pajerowski, Steve Johnston, Zhentao Wang, Harry Lane, Ying Wai Li, Xiaojian Bai, Martin Mourigal, Cristian D. Batista, Kipton Barros
2025 J jnl
exa-AMD: A Scalable Workflow for Accelerating AI-Assisted Materials Discovery and Design.
CoRR
Maxim Moraru, Weiyi Xia, Zhuo Ye, Feng Zhang, Yongxin Yao, Ying Wai Li, Cai-Zhuang Wang
2025 J jnl
exa-AMD: A Scalable Workflow for Accelerating AI-Assisted Materials Discovery and Design.
J. Open Source Softw.
Maxim Moraru, Weiyi Xia, Zhuo Ye, Feng Zhang, Yongxin Yao, Ying Wai Li, Cai-Zhuang Wang
2024 J jnl
Model-diff: A Tool for Comparative Study of Language Models in the Input Space.
CoRR
Weitang Liu, Yuelei Li, Ying Wai Li, Zihan Wang, Jingbo Shang
2023 — conf
HPC Application Performance Prediction with Machine Learning on New Architectures.
PERMAVOST@HPDC
Dewi Yokelson, Marc Robert Joseph Charest, Ying Wai Li
2023 J jnl
Uncertainty-driven dynamics for active learning of interatomic potentials.
Nat. Comput. Sci.
Maksim Kulichenko, Kipton Barros, Nicholas Lubbers, Ying Wai Li, Richard A. Messerly, Sergei Tretiak, Justin S. Smith, Benjamin T. Nebgen
2022 J jnl
Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics on CPUs and GPUs.
J. Chem. Inf. Model.
Dewi Yokelson, Nikolay V. Tkachenko, Robert Robey, Ying Wai Li, Pavel A. Dub
2021 J jnl
A scalable algorithm for the optimization of neural network architectures.
Parallel Comput.
Massimiliano Lupo Pasini, Junqi Yin, Ying Wai Li, Markus Eisenbach
2021 B conf
Machine-Learning Accelerated Studies of Materials with High Performance and Edge Computing.
SMC
Ying Wai Li, Peter W. Doak, Giovanni Balduzzi, Wael R. Elwasif, Eduardo F. D'Azevedo, Thomas A. Maier
2021 J jnl
Performance Analysis of CP2K Code for Ab Initio Molecular Dynamics.
CoRR
Dewi Yokelson, Nikolay V. Tkachenko, Robert Robey, Ying Wai Li, Pavel A. Dub
2020 J jnl
Pre-exascale accelerated application development: The ORNL Summit experience.
IBM J. Res. Dev.
Lixiang Luo, Tjerk P. Straatsma, Luis Enrique Aguilar-Suárez, Ria Broer, Dmytro Bykov, Eduardo F. D'Azevedo, Shirin S. Faraji, Kalyana C. Gottiparthi, Coen de Graaf, James Austin Harris, Remco W. A. Havenith, Hans Jørgen Aagard Jensen, Wayne Joubert, R. K. Kathir, Jeff Larkin, Ying Wai Li, Dmitry I. Lyakh, O. E. Bronson Messer, Matthew R. Norman, Joseph C. Oefelein, Ramanan Sankaran, Andreas F. Tillack, Ashleigh L. Barnes, Lucas Visscher, Jack C. Wells, Meilani Wibowo
2019 J jnl
A greedy constructive algorithm for the optimization of neural network architectures.
CoRR
Massimiliano Lupo Pasini, Junqi Yin, Ying Wai Li, Markus Eisenbach
2019 B conf
Accelerating DCA++ (Dynamical Cluster Approximation) Scientific Application on the Summit Supercomputer.
PACT
Giovanni Balduzzi, Arghya Chatterjee, Ying Wai Li, Peter W. Doak, Urs R. Hähner, Eduardo F. D'Azevedo, Thomas A. Maier, Thomas C. Schulthess
2019 A conf
Fast, scalable and accurate finite-element based
SC
Sambit Das, Phani Motamarri, Vikram Gavini, Bruno Turcksin, Ying Wai Li, Brent Leback
2019 J jnl
Histogram-free multicanonical Monte Carlo sampling to calculate the density of states.
Comput. Phys. Commun.
Alfred C. K. Farris, Ying Wai Li, Markus Eisenbach
2017 — conf
A Histogram-Free Multicanonical Monte Carlo Algorithm for the Basis Expansion of Density of States.
PASC
Ying Wai Li, Markus Eisenbach
2016 — conf
Delayed Update Algorithms for Quantum Monte Carlo Simulation on GPU: Extended Abstract.
XSEDE
Tyler McDaniel, Eduardo F. D'Azevedo, Ying Wai Li, Paul R. C. Kent, Ming Wong, Kwai Wong
2016 — conf
Using C++ AMP to Accelerate HPC Applications on Multiple Platforms.
ISC Workshops
M. Graham Lopez, Christopher Bergstrom, Ying Wai Li, Wael R. Elwasif, Oscar R. Hernandez
2011 J jnl
Monte Carlo simulations of the HP model (the "Ising model" of protein folding).
Comput. Phys. Commun.
Ying Wai Li, Thomas Wüst, David P. Landau
2007 J jnl
Numerical integration using Wang-Landau sampling.
Comput. Phys. Commun.
Ying Wai Li, Thomas Wüst, David P. Landau, H. Q. Lin