Longlin Yu

Longlin Yu, Cheng Zhang

Semi-implicit variational inference (SIVI) greatly enriches the expressiveness of variational families by considering implicit variational distributions defined in a hierarchical manner. However, due to the intractable densities of variational distributions, current SIVI approaches often use surrogate evidence lower bounds (ELBOs) or employ expensive inner-loop MCMC runs for unbiased ELBOs for training. In this paper, we propose SIVI-SM, a new method for SIVI based on an alternative training objective via score matching. Leveraging the hierarchical structure of semi-implicit variational families, the score matching objective allows a minimax formulation where the intractable variational densities can be naturally handled with denoising score matching. We show that SIVI-SM closely matches the accuracy of MCMC and outperforms ELBO-based SIVI methods in a variety of Bayesian inference tasks.

Longlin Yu, Tianyu Xie, Yu Zhu et al. · pku

Semi-implicit variational inference (SIVI) has been introduced to expand the analytical variational families by defining expressive semi-implicit distributions in a hierarchical manner. However, the single-layer architecture commonly used in current SIVI methods can be insufficient when the target posterior has complicated structures. In this paper, we propose hierarchical semi-implicit variational inference, called HSIVI, which generalizes SIVI to allow more expressive multi-layer construction of semi-implicit distributions. By introducing auxiliary distributions that interpolate between a simple base distribution and the target distribution, the conditional layers can be trained by progressively matching these auxiliary distributions one layer after another. Moreover, given pre-trained score networks, HSIVI can be used to accelerate the sampling process of diffusion models with the score matching objective. We show that HSIVI significantly enhances the expressiveness of SIVI on several Bayesian inference problems with complicated target distributions. When used for diffusion model acceleration, we show that HSIVI can produce high quality samples comparable to or better than the existing fast diffusion model based samplers with a small number of function evaluations on various datasets.

Ziheng Cheng, Shiyue Zhang, Longlin Yu et al.

Particle-based variational inference methods (ParVIs) such as Stein variational gradient descent (SVGD) update the particles based on the kernelized Wasserstein gradient flow for the Kullback-Leibler (KL) divergence. However, the design of kernels is often non-trivial and can be restrictive for the flexibility of the method. Recent works show that functional gradient flow approximations with quadratic form regularization terms can improve performance. In this paper, we propose a ParVI framework, called generalized Wasserstein gradient descent (GWG), based on a generalized Wasserstein gradient flow of the KL divergence, which can be viewed as a functional gradient method with a broader class of regularizers induced by convex functions. We show that GWG exhibits strong convergence guarantees. We also provide an adaptive version that automatically chooses Wasserstein metric to accelerate convergence. In experiments, we demonstrate the effectiveness and efficiency of the proposed framework on both simulated and real data problems.

Zhekun Shi, Longlin Yu, Tianyu Xie et al. · pku

Recent success of diffusion models has inspired a surge of interest in developing sampling techniques using reverse diffusion processes. However, accurately estimating the drift term in the reverse stochastic differential equation (SDE) solely from the unnormalized target density poses significant challenges, hindering existing methods from achieving state-of-the-art performance. In this paper, we introduce the Diffusion-PINN Sampler (DPS), a novel diffusion-based sampling algorithm that estimates the drift term by solving the governing partial differential equation of the log-density of the underlying SDE marginals via physics-informed neural networks (PINN). We prove that the error of log-density approximation can be controlled by the PINN residual loss, enabling us to establish convergence guarantees of DPS. Experiments on a variety of sampling tasks demonstrate the effectiveness of our approach, particularly in accurately identifying mixing proportions when the target contains isolated components.

Shiyue Zhang, Longlin Yu, Ziheng Cheng et al.

Recently, through a unified gradient flow perspective of Markov chain Monte Carlo (MCMC) and variational inference (VI), particle-based variational inference methods (ParVIs) have been proposed that tend to combine the best of both worlds. While typical ParVIs such as Stein Variational Gradient Descent (SVGD) approximate the gradient flow within a reproducing kernel Hilbert space (RKHS), many attempts have been made recently to replace RKHS with more expressive function spaces, such as neural networks. While successful, these methods are mainly designed for sampling from unconstrained domains. In this paper, we offer a general solution to constrained sampling by introducing a boundary condition for the gradient flow which would confine the particles within the specific domain. This allows us to propose a new functional gradient ParVI method for constrained sampling, called constrained functional gradient flow (CFG), with provable continuous-time convergence in total variation (TV). We also present novel numerical strategies to handle the boundary integral term arising from the domain constraints. Our theory and experiments demonstrate the effectiveness of the proposed framework.