Conditional diffusions for neural posterior estimation

Neural posterior estimation (NPE), a simulation-based computational approach for Bayesian inference, has shown great success in situations where posteriors are intractable or likelihood functions are treated as "black boxes." Existing NPE methods typically rely on normalizing flows, which transform a base distributions into a complex posterior by composing many simple, invertible transformations. But flow-based models, while state of the art for NPE, are known to suffer from several limitations, including training instability and sharp trade-offs between representational power and computational cost. In this work, we demonstrate the effectiveness of conditional diffusions as an alternative to normalizing flows for NPE. Conditional diffusions address many of the challenges faced by flow-based methods. Our results show that, across a highly varied suite of benchmarking problems for NPE architectures, diffusions offer improved stability, superior accuracy, and faster training times, even with simpler, shallower models. These gains persist across a variety of different encoder or "summary network" architectures, as well as in situations where no summary network is required. The code will be publicly available at \url{https://github.com/TianyuCodings/cDiff}.

Straightness of Rectified Flow: A Theoretical Insight into Wasserstein Convergence

Diffusion models have emerged as a powerful tool for image generation and denoising. Typically, generative models learn a trajectory between the starting noise distribution and the target data distribution. Recently Liu et al. (2023b) designed a novel alternative generative model Rectified Flow (RF), which aims to learn straight flow trajectories from noise to data using a sequence of convex optimization problems with close ties to optimal transport. If the trajectory is curved, one must use many Euler discretization steps or novel strategies, such as exponential integrators, to achieve a satisfactory generation quality. In contrast, RF has been shown to theoretically straighten the trajectory through successive rectifications, reducing the number of function evaluations (NFEs) while sampling. It has also been shown empirically that RF may improve the straightness in two rectifications if one can solve the underlying optimization problem within a sufficiently small error. In this paper, we make two key theoretical contributions: 1) we provide the first theoretical analysis of the Wasserstein distance between the sampling distribution of RF and the target distribution. Our error rate is characterized by the number of discretization steps and a new formulation of straightness stronger than that in the original work. 2) In line with the previous empirical findings, we show that, for a rectified flow from a Gaussian to a mixture of two Gaussians, two rectifications are sufficient to achieve a straight flow. Additionally, we also present empirical results on both simulated and real datasets to validate our theoretical findings.