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Register a new userBayesian Optimization with High-Dimensional Outputs
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Added by
Wesley Maddox
Publication date
2021
fields
Informatics Engineering
and research's language is
English
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Bayesian Optimization is a sample-efficient black-box optimization procedure that is typically applied to problems with a small number of independent objectives. However, in practice we often wish to optimize objectives defined over many correlated outcomes (or ``tasks). For example, scientists may want to optimize the coverage of a cell tower network across a dense grid of locations. Similarly, engineers may seek to balance the performance of a robot across dozens of different environments via constrained or robust optimization. However, the Gaussian Process (GP) models typically used as probabilistic surrogates for multi-task Bayesian Optimization scale poorly with the number of outcomes, greatly limiting applicability. We devise an efficient technique for exact multi-task GP sampling that combines exploiting Kronecker structure in the covariance matrices with Matherons identity, allowing us to perform Bayesian Optimization using exact multi-task GP models with tens of thousands of correlated outputs. In doing so, we achieve substantial improvements in sample efficiency compared to existing approaches that only model aggregate functions of the outcomes. We demonstrate how this unlocks a new class of applications for Bayesian Optimization across a range of tasks in science and engineering, including optimizing interference patterns of an optical interferometer with more than 65,000 outputs.
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Scarce data is a major challenge to scaling robot learning to truly complex tasks, as we need to generalize locally learned policies over different task contexts. Contextual policy search offers data-efficient learning and generalization by explicitly conditioning the policy on a parametric context space. In this paper, we further structure the contextual policy representation. We propose to factor contexts into two components: target contexts that describe the task objectives, e.g. target position for throwing a ball; and environment contexts that characterize the environment, e.g. initial position or mass of the ball. Our key observation is that experience can be directly generalized over target contexts. We show that this can be easily exploited in contextual policy search algorithms. In particular, we apply factorization to a Bayesian optimization approach to contextual policy search both in sampling-based and active learning settings. Our simulation results show faster learning and better generalization in various robotic domains. See our supplementary video: https://youtu.be/MNTbBAOufDY.
Optimizing multiple competing black-box objectives is a challenging problem in many fields, including science, engineering, and machine learning. Multi-objective Bayesian optimization is a powerful approach for identifying the optimal trade-offs between the objectives with very few function evaluations. However, existing methods tend to perform poorly when observations are corrupted by noise, as they do not take into account uncertainty in the true Pareto frontier over the previously evaluated designs. We propose a novel acquisition function, NEHVI, that overcomes this important practical limitation by applying a Bayesian treatment to the popular expected hypervolume improvement criterion to integrate over this uncertainty in the Pareto frontier. We further argue that, even in the noiseless setting, the problem of generating multiple candidates in parallel reduces that of handling uncertainty in the Pareto frontier. Through this lens, we derive a natural parallel variant of NEHVI that can efficiently generate large batches of candidates. We provide a theoretical convergence guarantee for optimizing a Monte Carlo estimator of NEHVI using exact sample-path gradients. Empirically, we show that NEHVI achieves state-of-the-art performance in noisy and large-batch environments.
Effective techniques for eliciting user preferences have taken on added importance as recommender systems (RSs) become increasingly interactive and conversational. A common and conceptually appealing Bayesian criterion for selecting queries is expected value of information (EVOI). Unfortunately, it is computationally prohibitive to construct queries with maximum EVOI in RSs with large item spaces. We tackle this issue by introducing a continuous formulation of EVOI as a differentiable network that can be optimized using gradient methods available in modern machine learning (ML) computational frameworks (e.g., TensorFlow, PyTorch). We exploit this to develop a novel, scalable Monte Carlo method for EVOI optimization, which is more scalable for large item spaces than methods requiring explicit enumeration of items. While we emphasize the use of this approach for pairwise (or k-wise) comparisons of items, we also demonstrate how our method can be adapted to queries involving subsets of item attributes or partial items, which are often more cognitively manageable for users. Experiments show that our gradient-based EVOI technique achieves state-of-the-art performance across several domains while scaling to large item spaces.
Black-box problems are common in real life like structural design, drug experiments, and machine learning. When optimizing black-box systems, decision-makers always consider multiple performances and give the final decision by comprehensive evaluations. Motivated by such practical needs, we focus on constrained black-box problems where the objective and constraints lack known special structure, and evaluations are expensive and even with noise. We develop a novel constrained Bayesian optimization approach based on the knowledge gradient method ($c-rm{KG}$). A new acquisition function is proposed to determine the next batch of samples considering optimality and feasibility. An unbiased estimator of the gradient of the new acquisition function is derived to implement the $c-rm{KG}$ approach.
Tuning machine learning models with Bayesian optimization (BO) is a successful strategy to find good hyperparameters. BO defines an iterative procedure where a cross-validated metric is evaluated on promising hyperparameters. In practice, however, an improvement of the validation metric may not translate in better predictive performance on a test set, especially when tuning models trained on small datasets. In other words, unlike conventional wisdom dictates, BO can overfit. In this paper, we carry out the first systematic investigation of overfitting in BO and demonstrate that this issue is serious, yet often overlooked in practice. We propose a novel criterion to early stop BO, which aims to maintain the solution quality while saving the unnecessary iterations that can lead to overfitting. Experiments on real-world hyperparameter optimization problems show that our approach effectively meets these goals and is more adaptive comparing to baselines.
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