Complementing tabular foundation model pretraining with LSBO-specific synthetic tasks and a regularizer yields strong performance on held-out molecular optimization benchmarks.
In-Context Black-Box Optimization with Unreliable Feedback
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abstract
Black-box optimization in science and engineering often comes with side information: experts, simulators, pretrained predictors, or heuristics can suggest which candidates look promising. This information can accelerate search, but it can also be biased, input-dependent, or misleading. Feedback-aware BO methods typically handle one task at a time, limiting their ability to generalize over multiple sources of feedback. In-context optimizers address cross-task adaptation, but usually assume that optimization history is the only available signal at test time. We study feedback-informed in-context black-box optimization (FICBO), where a pretrained optimizer conditions on both the observed history and cheap auxiliary feedback for the current candidate set. We introduce a structured feedback prior that models how feedback sources vary in their access, relevance, and distortion relative to the true objective, and use it to pretrain a feedback-aware transformer. At test time, the model estimates source reliability in context by comparing observed objective values with auxiliary signals, improving query selection. On synthetic and real-world tasks, FICBO effectively exploits informative feedback while remaining robust to weak or misleading sources, improving over other baselines. Empirical investigations further illustrate how the model perceives test-time sources, offering insights into its interpretability and decision-making process.
fields
cs.LG 1years
2026 1verdicts
UNVERDICTED 1representative citing papers
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In-Context Learning for Latent Space Bayesian Optimization
Complementing tabular foundation model pretraining with LSBO-specific synthetic tasks and a regularizer yields strong performance on held-out molecular optimization benchmarks.