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.

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The training of score-based diffusion models (SDMs) is based on score matching. The challenge of score matching is that it includes a computationally expensive Jacobian trace. While several methods have been proposed to avoid this computation, each has drawbacks, such as instability during training and approximating the learning as learning a denoising vector field rather than a true score.We propose a novel score matching variant, local curvature smoothing with Stein's identity (LCSS). The LCSS bypasses the Jacobian trace by applying Stein's identity, enabling regularization effectiveness and efficient computation. We show that LCSS surpasses existing methods in sample generation performance and matches the performance of denoising score matching, widely adopted by most SDMs, in evaluations such as FID, Inception score, and bits per dimension. Furthermore, we show that LCSS enables realistic image generation even at a high resolution of $1024 \times 1024$.

Stein variational gradient descent (SVGD) is a non-parametric inference algorithm that evolves a set of particles to fit a given distribution of interest. We analyze the non-asymptotic properties of SVGD, showing that there exists a set of functions, which we call the Stein matching set, whose expectations are exactly estimated by any set of particles that satisfies the fixed point equation of SVGD. This set is the image of Stein operator applied on the feature maps of the positive definite kernel used in SVGD. Our results provide a theoretical framework for analyzing the properties of SVGD with different kernels, shedding insight into optimal kernel choice. In particular, we show that SVGD with linear kernels yields exact estimation of means and variances on Gaussian distributions, while random Fourier features enable probabilistic bounds for distributional approximation. Our results offer a refreshing view of the classical inference problem as fitting Stein's identity or solving the Stein equation, which may motivate more efficient algorithms.

Bayesian inference for inverse problems involves computing expectations under posterior distributions -- e.g., posterior means, variances, or predictive quantities -- typically via Monte Carlo (MC) estimation. When the quantity of interest varies significantly under the posterior, accurate estimates demand many samples -- a cost often prohibitive for partial differential equation-constrained problems. To address this challenge, we introduce conditional neural control variates, a modular method that learns amortized control variates from joint model-data samples to reduce the variance of MC estimators. To scale to high-dimensional problems, we leverage Stein's identity to design an architecture based on an ensemble of hierarchical coupling layers with tractable Jacobian trace computation. Training requires: (i) samples from the joint distribution of unknown parameters and observed data; and (ii) the posterior score function, which can be computed from physics-based likelihood evaluations, neural operator surrogates, or learned generative models such as conditional normalizing flows. Once trained, the control variates generalize across observations without retraining. We validate our approach on stylized and partial differential equation-constrained Darcy flow inverse problems, demonstrating substantial variance reduction, even when the analytical score is replaced by a learned surrogate.

SmoothHess is applied post-hoc, requires no modifications to the ReLU network architecture, and the extent of smoothing can be controlled explicitly.

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