Anchored Scenario Coverage for Failure-Aware First-Hit Batch Inverse Design

📅 2026-08-27
📈 Citations: 0
Influential: 0
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🤖 AI Summary
研究提出ARC-SC方法,通过保留强边际候选作为锚点并最大化预测目标场景的互补覆盖率,以提高在实验失败情况下的早期有效设计发现效率。
📝 Abstract
Early discovery of at least one valid design satisfying a target requirement is a central objective in failure-prone closed-loop inverse design. A natural batch baseline ranks candidates by a product-form marginal valid-hit score, but selecting the highest-ranked candidates independently can produce redundant recommendations under predictive uncertainty and waste the experiment budget. We introduce ARC-SC(Anchored Risk-Constrained Scenario Coverage), a batch acquisition method that preserves strong marginal candidates as anchors and allocates the remaining batch positions by maximizing complementary coverage over predictive target scenarios under a risk-support constraint. In frozen-oracle closed-loop simulations on superconductivity and JARVIS materials-property benchmarks, ARC-SC yields a statistically supported improvement in first-hit discovery and remains competitive with directionally favorable first-hit performance on more challenging design space. These results establish ARC-SC as a POF-anchored, scenario-aware batch strategy for improving early valid-target discovery under structured experimental failure.
Problem

Research questions and friction points this paper is trying to address.

closed-loop inverse design
predictive uncertainty
batch acquisition
failure-prone
early discovery
Innovation

Methods, ideas, or system contributions that make the work stand out.

Anchored Risk-Constrained Scenario Coverage
batch acquisition method
predictive uncertainty
first-hit discovery
risk-support constraint
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