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Ming-Zhen Li

5 papers indexed here

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Preprint Oct 2026

TrimSO(2): Fast and Memory-Efficient Training of Equivariant Interatomic Potentials

Equivariant interatomic potentials enable accurate and efficient simulations of molecules and materials. Among them, models based on SO(2) convolutions reduce the cost of tensor products and achieve state-of-the-art accuracy, but their training remains time-consuming and memory-intensive. Existing training implementati...

Chen Wang, Yuan-Chang Zhou, Guang-Ming Tan et al. · 0 citations
#machine learning Preprint Oct 2026

LunaTP: Enabling Efficient and Scalable Tensor Product for Equivariant MLIPs

Equivariant machine learning interatomic potentials (MLIPs) promise atomistic simulations with accuracy approaching that of quantum-mechanical calculations. However, the high computational cost of their core Clebsch--Gordan tensor product (CGTP) convolutions severely limits model scalability and efficiency. In this pap...

Yuan-Chang Zhou, Ming-Zhen Li, Chen Wang et al. · 0 citations
Open access Sep 2026

Bullseye Hash: An Efficient Hash-Table for Sparse Tensor Contraction

This work proposes Bullseye Hash, a novel hash table designed to efficiently support SpTC computations and provides guidance on configuring data object representations based on their specific characteristics, considering both algorithmic complexity and cache efficiency.

Guo-Feng Feng, Ze-Cheng Li, Ming-Zhen Li et al. · 0 citations
#graph neural networks Book Open access Sep 2026

AtomFlow: Accelerating GNN-Based Molecular Dynamics with ab initio Accuracy on Fugaku Supercomputer

This paper proposes AtomFlow, a holistic acceleration for a representative GNN-based MD model on the Fugaku supercomputer, and redesigns the inference workflow with a framework-free implementation to avoid the overhead of the PyTorch framework on Fugaku.

Yi-Ming Du, Ming-Zhen Li, Li-Jun Liu et al. · 0 citations

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