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Abstract Bayesian optimization (BO) is an indispensable tool to optimize objective functions that either do not have known functional forms or are expensive to evaluate. Currently, optimal experimental design is always conducted within the workflow of BO leading to more efficient exploration of the design space compared to traditional strategies. This can have a significant impact on modern scientific discovery, in particular autonomous materials discovery, which can be viewed as an optimization problem aimed at looking for the maximum (or minimum) point for the desired materials properties. The performance of BO-based experimental design depends not only on the adopted acquisition function but also on the surrogate models that help to approximate underlying objective functions. In this paper, we propose a fully autonomous experimental design framework that uses more adaptive and flexible Bayesian surrogate models in a BO procedure, namely Bayesian multivariate adaptive regression splines and Bayesian additive regression trees. They can overcome the weaknesses of widely used Gaussian process-based methods when faced with relatively high-dimensional design space or non-smooth patterns of objective functions. Both simulation studies and real-world materials science case studies demonstrate their enhanced search efficiency and robustness.
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ADO-LLM: Analog Design Bayesian Optimization with In-Context Learning of Large Language Models
Analog circuit design requires substantial human expertise and involvement, which is a significant roadblock to design productivity. Bayesian Optimization (BO), a popular machine-learning-based optimization strategy, has been leveraged to automate analog design given its applicability across various circuit topologies and technologies. Traditional BO methods employ black-box Gaussian Process surrogate models and optimized labeled data queries to find optimization solutions by trading off between exploration and exploitation. However, the search for the optimal design solution in BO can be expensive from both a computational and data usage point of view, particularly for high-dimensional optimization problems. This paper presents ADO-LLM, the first work integrating large language models (LLMs) with Bayesian Optimization for analog design optimization. ADO-LLM leverages the LLM’s ability to infuse domain knowledge to rapidly generate viable design points to remedy BO's inefficiency in finding high-value design areas specifically under the limited design space coverage of the BO's probabilistic surrogate model. In the meantime, sampling of design points evaluated in the iterative BO process provides quality demonstrations for the LLM to generate high-quality design points while leveraging infused broad design knowledge. Furthermore, the diversity brought by BO's exploration enriches the contextual understanding of the LLM and allows it to more broadly search in the design space and prevent repetitive and redundant suggestions. We evaluate the proposed framework on two different types of analog circuits and demonstrate notable improvements in design efficiency and effectiveness.
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- PAR ID:
- 10593478
- Publisher / Repository:
- 2024 ACM/IEEE International Conference on Computer-Aided Design
- Date Published:
- ISBN:
- 9798400710773
- Page Range / eLocation ID:
- 1 to 9
- Format(s):
- Medium: X
- Location:
- Newark Liberty International Airport Marriott New York NY USA
- Sponsoring Org:
- National Science Foundation
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- Free Publicly Accessible Full Text
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Accepted Manuscript1.0
- Conference Paper:
- https://doi.org/10.1145/3676536.3676816
