ASPIRE:用于鞍点发现的集合预测与物理精化框架
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2026年10月9日,arXiv Machine Learning Theory 频道发布一手报道,介绍研究者提出的 ASPIRE(Atomistic Saddle-Point Inference with Refinement for Events)框架。该框架使用等变集合预测器 Ev-Quiformer,从单一初始原子环境生成多个鞍点候选,随后在原始原子势上进行 Dimer 搜索精化,以提高鞍点发现的准确性。目前报道仅涉及该框架的提出与方法构成,未披露实验结果、代码开源或后续验证进展。
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- arXiv · Machine Learning TheoryASPIRE:用集合预测与物理精化发现鞍点
研究者提出 ASPIRE(Atomistic Saddle-Point Inference with Refinement for Events)框架,用等变集合预测器 Ev-Quiformer 从单一初始原子环境生成多个鞍点候选,再在原始原子势上做 Dimer 搜索精化。
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