On the Anatomy of MCMC-Based Maximum Likelihood Learning of Energy-Based Models

This study investigates the effects of Markov chain Monte Carlo (MCMC) sampling in unsupervised Maximum Likelihood (ML) learning. Our attention is restricted to the family of unnormalized probability densities for which the negative log density (or energy function) is a ConvNet. We find that many of the techniques used to stabilize training in previous studies are not necessary. ML learning with a ConvNet potential requires only a few hyper-parameters and no regularization. Using this minimal framework, we identify a variety of ML learning outcomes that depend solely on the implementation of MCMC sampling. On one hand, we show that it is easy to train an energy-based model which can sample realistic images with short-run Langevin. ML can be effective and stable even when MCMC samples have much higher energy than true steady-state samples throughout training. Based on this insight, we introduce an ML method with purely noise-initialized MCMC, high-quality short-run synthesis, and the same budget as ML with informative MCMC initialization such as CD or PCD. Unlike previous models, our energy model can obtain realistic high-diversity samples from a noise signal after training. On the other hand, ConvNet potentials learned with non-convergent MCMC do not have a valid steady-state and cannot be considered approximate unnormalized densities of the training data because long-run MCMC samples differ greatly from observed images. We show that it is much harder to train a ConvNet potential to learn a steady-state over realistic images. To our knowledge, long-run MCMC samples of all previous models lose the realism of short-run samples. With correct tuning of Langevin noise, we train the first ConvNet potentials for which long-run and steady-state MCMC samples are realistic images.Comment: Code available at: https://github.com/point0bar1/ebm-anatom

Learning Energy-Based Model with Variational Auto-Encoder as Amortized Sampler

Due to the intractable partition function, training energy-based models (EBMs) by maximum likelihood requires Markov chain Monte Carlo (MCMC) sampling to approximate the gradient of the Kullback-Leibler divergence between data and model distributions. However, it is non-trivial to sample from an EBM because of the difficulty of mixing between modes. In this paper, we propose to learn a variational auto-encoder (VAE) to initialize the finite-step MCMC, such as Langevin dynamics that is derived from the energy function, for efficient amortized sampling of the EBM. With these amortized MCMC samples, the EBM can be trained by maximum likelihood, which follows an "analysis by synthesis" scheme; while the variational auto-encoder learns from these MCMC samples via variational Bayes. We call this joint training algorithm the variational MCMC teaching, in which the VAE chases the EBM toward data distribution. We interpret the learning algorithm as a dynamic alternating projection in the context of information geometry. Our proposed models can generate samples comparable to GANs and EBMs. Additionally, we demonstrate that our models can learn effective probabilistic distribution toward supervised conditional learning experiments

A Tale of Two Latent Flows: Learning Latent Space Normalizing Flow with Short-run Langevin Flow for Approximate Inference

We study a normalizing flow in the latent space of a top-down generator model, in which the normalizing flow model plays the role of the informative prior model of the generator. We propose to jointly learn the latent space normalizing flow prior model and the top-down generator model by a Markov chain Monte Carlo (MCMC)-based maximum likelihood algorithm, where a short-run Langevin sampling from the intractable posterior distribution is performed to infer the latent variables for each observed example, so that the parameters of the normalizing flow prior and the generator can be updated with the inferred latent variables. We show that, under the scenario of non-convergent short-run MCMC, the finite step Langevin dynamics is a flow-like approximate inference model and the learning objective actually follows the perturbation of the maximum likelihood estimation (MLE). We further point out that the learning framework seeks to (i) match the latent space normalizing flow and the aggregated posterior produced by the short-run Langevin flow, and (ii) bias the model from MLE such that the short-run Langevin flow inference is close to the true posterior. Empirical results of extensive experiments validate the effectiveness of the proposed latent space normalizing flow model in the tasks of image generation, image reconstruction, anomaly detection, supervised image inpainting and unsupervised image recovery.Comment: The Thirty-Seventh AAAI Conference on Artificial Intelligence (AAAI) 202

Recovery from Linear Measurements with Complexity-Matching Universal Signal Estimation

We study the compressed sensing (CS) signal estimation problem where an input signal is measured via a linear matrix multiplication under additive noise. While this setup usually assumes sparsity or compressibility in the input signal during recovery, the signal structure that can be leveraged is often not known a priori. In this paper, we consider universal CS recovery, where the statistics of a stationary ergodic signal source are estimated simultaneously with the signal itself. Inspired by Kolmogorov complexity and minimum description length, we focus on a maximum a posteriori (MAP) estimation framework that leverages universal priors to match the complexity of the source. Our framework can also be applied to general linear inverse problems where more measurements than in CS might be needed. We provide theoretical results that support the algorithmic feasibility of universal MAP estimation using a Markov chain Monte Carlo implementation, which is computationally challenging. We incorporate some techniques to accelerate the algorithm while providing comparable and in many cases better reconstruction quality than existing algorithms. Experimental results show the promise of universality in CS, particularly for low-complexity sources that do not exhibit standard sparsity or compressibility.Comment: 29 pages, 8 figure

Explaining the effects of non-convergent sampling in the training of Energy-Based Models

In this paper, we quantify the impact of using non-convergent Markov chains to train Energy-Based models (EBMs). In particular, we show analytically that EBMs trained with non-persistent short runs to estimate the gradient can perfectly reproduce a set of empirical statistics of the data, not at the level of the equilibrium measure, but through a precise dynamical process. Our results provide a first-principles explanation for the observations of recent works proposing the strategy of using short runs starting from random initial conditions as an efficient way to generate high-quality samples in EBMs, and lay the groundwork for using EBMs as diffusion models. After explaining this effect in generic EBMs, we analyze two solvable models in which the effect of the non-convergent sampling in the trained parameters can be described in detail. Finally, we test these predictions numerically on the Boltzmann machine.Comment: 13 pages, 3 figure