However, its main drawback is that it neglects possible interactions between predictor variables.

The additive model is one of the most popularly used models for high dimensional nonparametric regression analysis. However, its main drawback is that it neglects possible interactions between predictor variables. In this paper, we reexamine the group additive model proposed in the literature, and rigorously define the intrinsic group additive structure for the relationship between the response variable Y and the predictor vector X, and further develop an effective structure-penalized kernel method for simultaneous identification of the intrinsic group additive structure and nonparametric function estimation. The method utilizes a novel complexity measure we derive for group additive structures. We show that the proposed method is consistent in identifying the intrinsic group additive structure. Simulation study and real data applications demonstrate the effectiveness of the proposed method as a general tool for high dimensional nonparametric regression.

Gaussian processes (GPs) provide flexible distributions over functions, with inductive biases controlled by a kernel. However, in many applications Gaussian processes can struggle with even moderate input dimensionality. Learning a low dimensional projection can help alleviate this curse of dimensionality, but introduces many trainable hyperparameters, which can be cumbersome, especially in the small data regime. We use additive sums of kernels for GP regression, where each kernel operates on a different random projection of its inputs. Surprisingly, we find that as the number of random projections increases, the predictive performance of this approach quickly converges to the performance of a kernel operating on the original full dimensional inputs, over a wide range of data sets, even if we are projecting into a single dimension. As a consequence, many problems can remarkably be reduced to one dimensional input spaces, without learning a transformation. We prove this convergence and its rate, and additionally propose a deterministic approach that converges more quickly than purely random projections. Moreover, we demonstrate our approach can achieve faster inference and improved predictive accuracy for high-dimensional inputs compared to kernels in the original input space.

The generalization properties of Gaussian processes depend heavily on the choice of kernel, and this choice remains a dark art. We present the Neural Kernel Network (NKN), a flexible family of kernels represented by a neural network. The NKN's architecture is based on the composition rules for kernels, so that each unit of the network corresponds to a valid kernel. It can compactly approximate compositional kernel structures such as those used by the Automatic Statistician (Lloyd et al., 2014), but because the architecture is differentiable, it is end-to-end trainable with gradientbased optimization. We show that the NKN is universal for the class of stationary kernels. Empirically we demonstrate NKN's pattern discovery and extrapolation abilities on several tasks that depend crucially on identifying the underlying structure, including time series and texture extrapolation, as well as Bayesian optimization.

Optimization of high-dimensional black-box functions is an extremely challenging problem. While Bayesian optimization has emerged as a popular approach for optimizing black-box functions, its applicability has been limited to low-dimensional problems due to its computational and statistical challenges arising from high-dimensional settings. In this paper, we propose to tackle these challenges by (1) assuming a latent additive structure in the function and inferring it properly for more efficient and effective BO, and (2) performing multiple evaluations in parallel to reduce the number of iterations required by the method. Our novel approach learns the latent structure with Gibbs sampling and constructs batched queries using determinantal point processes. Experimental validations on both synthetic and real-world functions demonstrate that the proposed method outperforms the existing state-of-the-art approaches.

Bayesian optimization (BO) has become an effective approach for black-box function optimization problems when function evaluations are expensive and the optimum can be achieved within a relatively small number of queries. However, many cases, such as the ones with high-dimensional inputs, may require a much larger number of observations for optimization. Despite an abundance of observations thanks to parallel experiments, current BO techniques have been limited to merely a few thousand observations. In this paper, we propose ensemble Bayesian optimization (EBO) to address three current challenges in BO simultaneously: (1) large-scale observations; (2) high dimensional input spaces; and (3) selections of batch queries that balance quality and diversity. The key idea of EBO is to operate on an ensemble of additive Gaussian process models, each of which possesses a randomized strategy to divide and conquer. We show unprecedented, previously impossible results of scaling up BO to tens of thousands of observations within minutes of computation.

The additive model is one of the most popularly used models for high dimensional nonparametric regression analysis. However, its main drawback is that it neglects possible interactions between predictor variables. In this paper, we reexamine the group additive model proposed in the literature, and rigorously define the intrinsic group additive structure for the relationship between the response variable $Y$ and the predictor vector $\vect{X}$, and further develop an effective structure-penalized kernel method for simultaneous identification of the intrinsic group additive structure and nonparametric function estimation. The method utilizes a novel complexity measure we derive for group additive structures. We show that the proposed method is consistent in identifying the intrinsic group additive structure. Simulation study and real data applications demonstrate the effectiveness of the proposed method as a general tool for high dimensional nonparametric regression.