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Yi-Ming Du

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#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
Preprint Aug 2026

LEGO-RL: Harness-Native Reinforcement Learning for Coding Agents

Reinforcement learning for coding agents increasingly relies on long-running agent harnesses to manage tool integration, repository contexts, and execution feedback. However, the native execution environments of these harnesses are inherently misaligned with policy-gradient training: environmental crashes and reward ha...

Yi-Ming Du, Yu-Xin Jiang, Tao Yuan et al. · 3 citations

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