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Updated: Jan 28, 2026

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积极学习管道的分布外评估,用于分子性质预测

Tianzhixi Yin1, Peiyuan Gao1, Gihan Panapitiya1

  • 1Pacific Northwest National Laboratory USA tianzhixi.yin@gmail.com.

RSC advances
|January 26, 2026
PubMed
概括

积极学习 (AL) 通过战略性地选择数据来改善分子性质预测. 与AL一起的证据深度学习 (EDL) 在与随机抽样相比,在分布之外的数据上表现更好.

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