A Continuous Relaxation for Discrete Bayesian Optimization

التفاصيل البيبلوغرافية
العنوان: A Continuous Relaxation for Discrete Bayesian Optimization
المؤلفون: Michael, Richard, Bartels, Simon, González-Duque, Miguel, Zainchkovskyy, Yevgen, Frellsen, Jes, Hauberg, Søren, Boomsma, Wouter
سنة النشر: 2024
المجموعة: Computer Science
Statistics
مصطلحات موضوعية: Computer Science - Machine Learning, Statistics - Machine Learning
الوصف: To optimize efficiently over discrete data and with only few available target observations is a challenge in Bayesian optimization. We propose a continuous relaxation of the objective function and show that inference and optimization can be computationally tractable. We consider in particular the optimization domain where very few observations and strict budgets exist; motivated by optimizing protein sequences for expensive to evaluate bio-chemical properties. The advantages of our approach are two-fold: the problem is treated in the continuous setting, and available prior knowledge over sequences can be incorporated directly. More specifically, we utilize available and learned distributions over the problem domain for a weighting of the Hellinger distance which yields a covariance function. We show that the resulting acquisition function can be optimized with both continuous or discrete optimization algorithms and empirically assess our method on two bio-chemical sequence optimization tasks.
نوع الوثيقة: Working Paper
URL الوصول: http://arxiv.org/abs/2404.17452
رقم الأكسشن: edsarx.2404.17452
قاعدة البيانات: arXiv