mlsanityData to 14 Oct 2026

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

arXiv 2608.27873 ↗First posted 28 Aug 2026math.OC cs.LGcited by 0

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Abstract (arXiv)

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.

Key facts. No citing papers in the map yet (data through 14 Oct 2026). Builds on 9 of its 26 references that are in the map. First posted on arXiv 28 Aug 2026.

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References · 9

  1. 2019Scalable Global Optimization via Local Bayesian Optimizationcited by 374
  2. 2015Batch Bayesian Optimization via Local Penalizationcited by 104
  3. 2016The Parallel Knowledge Gradient Method for Batch Bayesian Optimizationcited by 74
  4. 2023Increasing the Scope as You Learn: Adaptive Bayesian Optimization in Nested Subspacescited by 52
  5. 2015Predictive Entropy Search for Bayesian Optimization with Unknown Constraintscited by 51
  6. 2016Batched Gaussian Process Bandit Optimization via Determinantal Point Processescited by 33
  7. 2015Parallel Predictive Entropy Search for Batch Global Optimization of Expensive Objective Functionscited by 31
  8. 2024Boundary Exploration for Bayesian Optimization With Unknown Physical Constraintscited by 6
  9. 2026MatFormBench: A Benchmarking Evaluation Framework for Target-Driven Materials Formulationcited by 1

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