In-Context Freeze-Thaw Bayesian Optimization for Hyperparameter Optimization
arxiv(2024)
摘要
With the increasing computational costs associated with deep learning,
automated hyperparameter optimization methods, strongly relying on black-box
Bayesian optimization (BO), face limitations. Freeze-thaw BO offers a promising
grey-box alternative, strategically allocating scarce resources incrementally
to different configurations. However, the frequent surrogate model updates
inherent to this approach pose challenges for existing methods, requiring
retraining or fine-tuning their neural network surrogates online, introducing
overhead, instability, and hyper-hyperparameters. In this work, we propose
FT-PFN, a novel surrogate for Freeze-thaw style BO. FT-PFN is a prior-data
fitted network (PFN) that leverages the transformers' in-context learning
ability to efficiently and reliably do Bayesian learning curve extrapolation in
a single forward pass. Our empirical analysis across three benchmark suites
shows that the predictions made by FT-PFN are more accurate and 10-100 times
faster than those of the deep Gaussian process and deep ensemble surrogates
used in previous work. Furthermore, we show that, when combined with our novel
acquisition mechanism (MFPI-random), the resulting in-context freeze-thaw BO
method (ifBO), yields new state-of-the-art performance in the same three
families of deep learning HPO benchmarks considered in prior work.
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