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.
Bayesian optimization (BO) is a central tool for sample-efficient design, and latent-space Bayesian optimization (LSBO) extends it to structured objects such as molecules and proteins. In parallel, tabular foundation models such as TabPFN and TabICL now achieve state-of-the-art regression performance and are increasingly used as BO surrogates. Because their Bayesian behavior is induced by large synthetic pretraining collections, the composition of this pretraining distribution is crucial. LSBO creates a distinctive mismatch: the induced map from latent code to objective value differs markedly from the regression tasks used to train current in-context models. We address this mismatch by complementing the pretraining stage of tabular foundation model surrogates with synthetic optimization tasks defined on the latent space of a molecular VAE. The continued-pretraining objective features a regularizer that anchors the model to the original checkpoint, preserving its broad regression prior while avoiding overspecialization to the adaptation tasks. On held-out molecular optimization benchmarks, the resulting model achieves strong performance, supporting the relevance of LSBO-specific adaptation for in-context surrogates.
Bayesian Optimization (BO) is widely used for optimizing expensive black-box functions, yet many real-world optimization problems contain substantially richer information than function evaluations alone. Examples include training curves in hyperparameter optimization, expert notes and images in scientific experimentation, and prior knowledge about where optima may lie. We show that large language models (LLMs) can effectively leverage such rich auxiliary information to guide optimization. Motivated by these findings, we develop three methods for incorporating auxiliary information into BO using LLMs. Across hyperparameter optimization benchmarks and a real-world nuclear fusion optimization task, our methods consistently outperform both standard BO and existing LLM-based optimization approaches. Our results demonstrate the effectiveness of LLMs for leveraging rich auxiliary information in BO.
Most black-box optimization methods require extensive hyperparameter tuning, often limiting their ability to generalize across different optimization domains. Foundation models for black-box optimization that learn optimization principles from a large collection of optimization trajectories offer a promising alternative, with the potential to outperform manually designed methods across diverse problem classes. However, prior work has either relied on non-public datasets or on purely synthetic data, limiting reproducibility and generalization to real-world problems. As a result, progress in this area has been constrained by the lack of large-scale, real-world, publicly available pre-training data. We introduce BBO-Pile, the first open-source dataset comprising over 500K optimization trajectories evaluated across 3095 different black-boxes for different optimizers, which represents by far the largest public dataset for this task. Using this dataset, we train a family of foundation models at multiple scales, ranging from 2M to 80M parameters and from 200M to 2B training tokens, and study their scaling behavior with respect to compute. Our results demonstrate that large-scale pre-training is a viable and effective approach to imitate black-box optimization methods, paving the way for future research in this direction.