rn kernel
ATechnical Lemmas
The proof is an induction on k. Consider the general case p2k+1. It is easy to see that g (x) = ex p2k(x) and g (x) = ex p2k 1(x). By the induction hypothesis, g 0 and therefore g is convex. Thus, the minimum of g is given by its stationary points. It is easy to observe that x = 0 is indeed a stationary point. Thus, minx R g(x) = g(0) = 0, which finishes the proof.
On the Identifiability and Interpretability of Gaussian Process Models
In this paper, we critically examine the prevalent practice of using additive mixtures of Matérn kernels in single-output Gaussian process (GP) models and explore the properties of multiplicative mixtures of Matérn kernels for multi-output GP models. For the single-output case, we derive a series of theoretical results showing that the smoothness of a mixture of Matérn kernels is determined by the least smooth component and that a GP with such a kernel is effectively equivalent to the least smooth kernel component. Furthermore, we demonstrate that none of the mixing weights or parameters within individual kernel components are identifiable. We then turn our attention to multi-output GP models and analyze the identifiability of the covariance matrix A in the multiplicative kernel K(x,y) = AK0(x,y), where K0 is a standard single output kernel such as Matérn. We show that A is identifiable up to a multiplicative constant, suggesting that multiplicative mixtures are well suited for multi-output tasks. Our findings are supported by extensive simulations and real applications for both single-and multi-output settings. This work provides insight into kernel selection and interpretation for GP models, emphasizing the importance of choosing appropriate kernel structures for different tasks.
Implicit Manifold Gaussian Process Regression
Gaussian process regression is widely used because of its ability to provide well-calibrated uncertainty estimates and handle small or sparse datasets. However, it struggles with high-dimensional data. One possible way to scale this technique to higher dimensions is to leverage the implicit low-dimensional manifold upon which the data actually lies, as postulated by the manifold hypothesis. Prior work ordinarily requires the manifold structure to be explicitly provided though, i.e. given by a mesh or be known to be one of the well-known manifolds like the sphere. In contrast, in this paper we propose a Gaussian process regression technique capable of inferring implicit structure directly from data (labeled and unlabeled) in a fully differentiable way. For the resulting model, we discuss its convergence to the Matérn Gaussian process on the assumed manifold. Our technique scales up to hundreds of thousands of data points, and improves the predictive performance and calibration of the standard Gaussian process regression in some high-dimensional settings.
Supplementary Material
We say a real-valued random variable X is -sub-Gaussian if it its mean is zero and for all " 2 R we have E[exp("X)] exp Such assumptions on the noise variables are frequently used in bandit optimization. Typically, in kernelized bandits, we assume that unknown f 2F k(D;B)= {f 2H k(D): kfkk B}, where Hk(D) is the reproducing kernel Hilbert space of functions associated with the given positive-definite kernel function. Typically, the learner knows Fk(D;B), meaning that both k(,) and B are considered as input to the learner's algorithm. We outline some commonly used kernel functions k: D D! R, that we also consider: Linear kernel: klin(x,x0)= xTx0, Squared exponential kernel: kSE(x,x0)=exp kx x0k2 2l2, Matérn kernel: kMat(x,x0)= 2 Maximum information gain is a kernel-dependent quantity that measures the complexity of the given function class. It has first been introduced in [40], and since then it has been used in numerous works on Gaussian process bandits.
Heat and Matérn Kernels on Matchings
Eremeev, Dmitry, Said, Salem, Borovitskiy, Viacheslav
Applying kernel methods to matchings is challenging due to their discrete, non-Euclidean nature. In this paper, we develop a principled framework for constructing geometric kernels that respect the natural geometry of the space of matchings. To this end, we first provide a complete characterization of stationary kernels, i.e. kernels that respect the inherent symmetries of this space. Because the class of stationary kernels is too broad, we specifically focus on the heat and Matérn kernel families, adding an appropriate inductive bias of smoothness to stationarity. While these families successfully extend widely popular Euclidean kernels to matchings, evaluating them naively incurs a prohibitive super-exponential computational cost. To overcome this difficulty, we introduce and analyze a novel, sub-exponential algorithm leveraging zonal polynomials for efficient kernel evaluation. Finally, motivated by the known bijective correspondence between matchings and phylogenetic trees-a crucial data modality in biology-we explore whether our framework can be seamlessly transferred to the space of trees, establishing novel negative results and identifying a significant open problem.
Batched Kernelized Bandits: Refinements and Extensions
Ma, Chenkai, Chen, Keqin, Scarlett, Jonathan
In this paper, we consider the problem of black-box optimization with noisy feedback revealed in batches, where the unknown function to optimize has a bounded norm in some Reproducing Kernel Hilbert Space (RKHS). We refer to this as the Batched Kernelized Bandits problem, and refine and extend existing results on regret bounds. For algorithmic upper bounds, (Li and Scarlett, 2022) shows that $B=O(\log\log T)$ batches suffice to attain near-optimal regret, where $T$ is the time horizon and $B$ is the number of batches. We further refine this by (i) finding the optimal number of batches including constant factors (to within $1+o(1)$), and (ii) removing a factor of $B$ in the regret bound. For algorithm-independent lower bounds, noticing that existing results only apply when the batch sizes are fixed in advance, we present novel lower bounds when the batch sizes are chosen adaptively, and show that adaptive batches have essentially same minimax regret scaling as fixed batches. Furthermore, we consider a robust setting where the goal is to choose points for which the function value remains high even after an adversarial perturbation. We present the robust-BPE algorithm, and show that a suitably-defined cumulative regret notion incurs the same bound as the non-robust setting, and derive a simple regret bound significantly below that of previous work.