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Updated: Sep 9, 2025

Evidence-based Knowledge Synthesis and Hypothesis Validation: Navigating Biomedical Knowledge Bases via Explainable AI and Agentic Systems
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Evidence-based Knowledge Synthesis and Hypothesis Validation: Navigating Biomedical Knowledge Bases via Explainable AI and Agentic Systems

Published on: June 13, 2025

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グラフニューラルネットワークに基づく機械学習によって予測される興奮状態の波関数とエネルギー

Xiang-Yang Liu1, Dongyi Xiao2, Wei-Hai Fang2,3

  • 1College of Chemistry and Material Science, Sichuan Normal University, Chengdu 610068, China.

Journal of chemical theory and computation
|September 4, 2025
PubMed
まとめ

この研究は,光誘導ダイナミクスのシミュレーションを加速する機械学習 (ML) 方法を導入し,刺激効果を正確に捕捉します. このアプローチは,物質の複雑な光化学を研究するための計算効率を大幅に高めます.

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