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Pitfalls and Remedies for Multi-Task Bayesian Optimization

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abstract

Bayesian optimization routinely warm-starts a target experiment with data from related source tasks, and the multi-task Gaussian process is the textbook surrogate for the job. We revisit this default in a controlled setting and find that it misestimates the cross-task correlation even in the simplest non-trivial case, affinely related source and target tasks, where a working transfer learning method should obviously succeed. We trace the failure to two independent structural mechanisms. Per-task standardization, the textbook fix for the affine slice ambiguity, propagates a finite-sample alignment error into the recovered correlation. The marginal likelihood itself identifies the correlation only at a per-sample rate that a Gaussian process at non-overlapping designs further dilutes. We propose three conservative remedies that follow from the analysis: promoting per-task means and scales to model parameters, restricting the task covariance to non-negative correlations, and co-locating part of the source and target designs. Across synthetic multi-task problems and surrogate-based hyperparameter tuning transfer, these remedies recover the target-only baseline on the simple instances, while the broader failure persists on harder instances and across most rank-based and latent-context variants.

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2026 1

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CONDITIONAL 1

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Multitask Scanning Probe Microscopy

cond-mat.mtrl-sci · 2026-08-10 · conditional · novelty 6.0

A closed-loop multitask Gaussian-process controller on an atomic force microscope selects both measurement location and protocol, transferring information between tapping-mode and DART roughness across an AlScN wafer.

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  • Multitask Scanning Probe Microscopy cond-mat.mtrl-sci · 2026-08-10 · conditional · none · ref 34 · internal anchor

    A closed-loop multitask Gaussian-process controller on an atomic force microscope selects both measurement location and protocol, transferring information between tapping-mode and DART roughness across an AlScN wafer.