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High Dimensional Bayesian Optimisation and Bandits via Additive Models (1503.01673v3)

Published 5 Mar 2015 in stat.ML and cs.LG

Abstract: Bayesian Optimisation (BO) is a technique used in optimising a $D$-dimensional function which is typically expensive to evaluate. While there have been many successes for BO in low dimensions, scaling it to high dimensions has been notoriously difficult. Existing literature on the topic are under very restrictive settings. In this paper, we identify two key challenges in this endeavour. We tackle these challenges by assuming an additive structure for the function. This setting is substantially more expressive and contains a richer class of functions than previous work. We prove that, for additive functions the regret has only linear dependence on $D$ even though the function depends on all $D$ dimensions. We also demonstrate several other statistical and computational benefits in our framework. Via synthetic examples, a scientific simulation and a face detection problem we demonstrate that our method outperforms naive BO on additive functions and on several examples where the function is not additive.

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Authors (3)
  1. Kirthevasan Kandasamy (36 papers)
  2. Jeff Schneider (99 papers)
  3. Barnabas Poczos (173 papers)
Citations (334)

Summary

Essay: High Dimensional Bayesian Optimization and Bandits via Additive Models

The paper "High Dimensional Bayesian Optimization and Bandits via Additive Models" addresses the computational and statistical challenges posed by Bayesian Optimization (BO) in high-dimensional spaces, proposing an alternative based on additive models to enhance scalability. This essay provides an analysis of the methods, achievements, and implications from the perspective of advanced researchers in the field.

Overview and Methodology

Bayesian Optimization, leveraging Gaussian Processes (GPs), has shown efficacy in optimizing expensive-to-evaluate functions albeit primarily in low-dimensional settings. The exponential difficulty of BO in high dimensions without additional assumptions is well-documented in literature. This paper tackles the scalability problem by assuming an additive structure across lower-dimensional components, a setting that introduces greater expressiveness and a richer function class than existing approaches.

The researchers present the Add-GP-UCB algorithm, designed specifically for additive functions. This algorithm exploits the structure by independently optimizing each group of dimensions with a scalable acquisition function, drastically reducing the computational complexity associated with traditional methods. The authors demonstrate that their approach results in a cumulative regret with linear dependence on the dimensionality DD, significantly easing the computational burden.

Theoretical Contributions

A significant theoretical contribution is the establishment of regret bounds for additive functions, indicating that regret scales linearly with dimensionality DD. The paper rigorously demonstrates that the Add-GP-UCB algorithm achieves similar rates as GP-UCB for standard kernels like squared exponential and Matérn, yet with reduced computational demand. The theoretical analysis relies on newly defined bounds on the Maximum Information Gain, a statistical measure that dictates the complexity of the problem under the GP framework.

This paper’s results imply that additive models can effectively surmount the traditionally prohibitive challenges of dimensionality, offering a practical path forward for real-world applications.

Empirical Evaluations

Empirical results, drawn from synthetic examples and applications such as astrophysical simulations and face detection using the Viola and Jones method, underscore the practical benefits of the additive approach. The Add-GP-UCB consistently outperformed naive BO and standard GP-UCB, particularly when the actual function did not strictly adhere to the additive assumption, illustrating the robustness and adaptability of the model. In these experiments, the flexible additive framework delivered superior performance compared to strategies like direct dimension reduction (e.g., REMBO).

Implications and Future Work

The implications of this research span both domain-specific applications and broader methodological impacts. Practically, it allows BO methods to extend seamlessly to traditionally infeasible high-dimensional optimization problems found in fields like computer vision and biology. Theoretically, it opens pivotal lines of inquiry into additive model selection and optimization in noisy or incomplete data environments, presenting opportunities to improve BO algorithms’ adaptability and precision.

Moving forward, developing more refined analyses that account for the balance between computational simplicity and the statistical richness of additive models could further empower BO frameworks. Understanding how to optimally select or identify the correct decomposition for various domains remains a critical challenge, as does the potential extension to non-additive but structured functions.

In summary, this paper significantly advances the conversation on making high-dimensional Bayesian optimization feasible, offering profound insights and a strong foundation upon which further refinements can be developed.