Latent space Energy-Based Models (EBMs), also known as energy-based priors, have drawn growing interests in the field of generative modeling due to its flexibility in the formulation and strong modeling power of the latent space. However, the common practice of learning latent space EBMs with non-convergent short-run MCMC for prior and posterior sampling is hindering the model from further progress; the degenerate MCMC sampling quality in practice often leads to degraded generation quality and instability in training, especially with highly multi-modal and/or high-dimensional target distributions. To remedy this sampling issue, in this paper we introduce a simple but effective diffusion-based amortization method for long-run MCMC sampling and develop a novel learning algorithm for the latent space EBM based on it. We provide theoretical evidence that the learned amortization of MCMC is a valid long-run MCMC sampler. Experiments on several image modeling benchmark datasets demonstrate the superior performance of our method compared with strong counterparts
University of Liège（列日大学）；University of Vienna（维也纳大学）
Posterior inference with an intractable likelihood is becoming an increasingly common task in scientific domains which rely on sophisticated computer simulations. Typically, these forward models do not admit tractable densities forcing practitioners to make use of approximations. This work introduces a novel approach to address the intractability of the likelihood and the marginal model. We achieve this by learning a flexible amortized estimator which approximates the likelihood-to-evidence ratio. We demonstrate that the learned ratio estimator can be embedded in MCMC samplers to approximate l…
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 sampl…
University of Toronto（多伦多大学）；Vector Institute（向量研究所）；Google Research（谷歌研究院）
Energy-Based Models (EBMs) present a flexible and appealing way to represent uncertainty. Despite recent advances, training EBMs on high-dimensional data remains a challenging problem as the state-of-the-art approaches are costly, unstable, and require considerable tuning and domain expertise to apply successfully. In this work, we present a simple method for training EBMs at scale which uses an entropy-regularized generator to amortize the MCMC sampling typically used in EBM training. We improve upon prior MCMC-based entropy regularization methods with a fast variational approximation. We dem…
Stochastic gradient Hamiltonian Monte Carlo (SGHMC) is an efficient method for sampling from continuous distributions. It is a faster alternative to HMC: instead of using the whole dataset at each iteration, SGHMC uses only a subsample. This improves performance, but introduces bias that can cause SGHMC to converge to the wrong distribution. One can prevent this using a step size that decays to zero, but such a step size schedule can drastically slow down convergence. To address this tension, we propose a novel second-order SG-MCMC algorithm---AMAGOLD---that infrequently uses Metropolis-Hastin…
This work presents a novel posterior inference method for models with intractable evidence and likelihood functions. Error-guided likelihood-free MCMC, or EG-LF-MCMC in short, has been developed for scientific applications, where a researcher is interested in obtaining approximate posterior densities over model parameters, while avoiding the need for expensive training of component estimators on full observational data or the tedious design of expressive summary statistics, as in related approaches. Our technique is based on two phases. In the first phase, we draw samples from the prior, simul…
We propose a novel amortized variational inference scheme for an empirical Bayes meta-learning model, where model parameters are treated as latent variables. We learn the prior distribution over model parameters conditioned on limited training data using a variational autoencoder approach. Our framework proposes sharing the same amortized inference network between the conditional prior and variational posterior distributions over the model parameters. While the posterior leverages both the labeled support and query data, the conditional prior is based only on the labeled support data. We show …
Markov chain Monte Carlo (MCMC), such as Langevin dynamics, is valid for approximating intractable distributions. However, its usage is limited in the context of deep latent variable models owing to costly datapoint-wise sampling iterations and slow convergence. This paper proposes the amortized Langevin dynamics (ALD), wherein datapoint-wise MCMC iterations are entirely replaced with updates of an encoder that maps observations into latent variables. This amortization enables efficient posterior sampling without datapoint-wise iterations. Despite its efficiency, we prove that ALD is valid as …
Stellenbosch University（斯泰伦博斯大学）；National Institute for Theoretical and Computational Sciences（国家理论与计算科学研究所）
Initial work on variational autoencoders assumed independent latent variables with simple distributions. Subsequent work has explored incorporating more complex distributions and dependency structures: including normalizing flows in the encoder network allows latent variables to entangle non-linearly, creating a richer class of distributions for the approximate posterior, and stacking layers of latent variables allows more complex priors to be specified for the generative model. This work explores incorporating arbitrary dependency structures, as specified by Bayesian networks, into VAEs. This…
Demystifying amortized causal discovery with transformers
Institute of Science and Technology Austria（奥地利科学与技术研究所）；Chan Zuckerberg Initiative（查纳·泽克伯格倡议）；Mila - Quebec AI Institute and Université de Montréal（蒙特利尔AI研究所和蒙特利尔大学）
We introduce "Search with Amortized Value Estimates" (SAVE), an approach for combining model-free Q-learning with model-based Monte-Carlo Tree Search (MCTS). In SAVE, a learned prior over state-action values is used to guide MCTS, which estimates an improved set of state-action values. The new Q-estimates are then used in combination with real experience to update the prior. This effectively amortizes the value computation performed by MCTS, resulting in a cooperative relationship between model-free learning and model-based search. SAVE can be implemented on top of any Q-learning agent with ac…
PriorCVAE: scalable MCMC parameter inference with Bayesian deep generative modelling
University of Oxford（牛津大学）；Aalto University（阿尔托大学）；Institute of Science and Technology Austria（奥地利科学技术研究所）；University of Copenhagen（哥本哈根大学）；Imperial College London（伦敦帝国学院）
University of Helsinki（赫尔辛基大学）；ELLIS Institute Finland, Aalto University（芬兰埃利斯研究所、阿尔托大学）；TU Dortmund University（多特蒙德技术大学）；Rensselaer Polytechnic Institute（伦斯勒理工学院）；Independent Scientist（独立研究者）
We focus on generative autoencoders, such as variational or adversarial autoencoders, which jointly learn a generative model alongside an inference model. Generative autoencoders are those which are trained to softly enforce a prior on the latent distribution learned by the inference model. We call the distribution to which the inference model maps observed samples, the learned latent distribution, which may not be consistent with the prior. We formulate a Markov chain Monte Carlo (MCMC) sampling process, equivalent to iteratively decoding and encoding, which allows us to sample from the learn…
Centre for Cognitive Science, Technical University Darmstadt（达姆施塔特工业大学认知科学中心）；DeepMind；research center caesar, an associate of the Max Planck Society（凯撒研究中心，马克斯·普朗克学会合作机构）；IMPRS Brain and Behavior Bonn/Florida（波恩/佛罗里达国际马克斯·普朗克脑与行为研究学院）；HHMI Janelia Research Campus（霍华德·休斯医学研究所珍妮莉亚研究园区）；Columbia University（哥伦比亚大学）
Calcium imaging permits optical measurement of neural activity. Since intracellular calcium concentration is an indirect measurement of neural activity, computational tools are necessary to infer the true underlying spiking activity from fluorescence measurements. Bayesian model inversion can be used to solve this problem, but typically requires either computationally expensive MCMC sampling, or faster but approximate maximum-a-posteriori optimization. Here, we introduce a flexible algorithmic framework for fast, efficient and accurate extraction of neural spikes from imaging data. Using the f…
ACTIVA: Amortized Causal Effect Estimation via Transformer-based Variational Autoencoder
Learning and Reasoning Group（学习与推理组）；Vrije Universiteit Amsterdam（阿姆斯特丹自由大学）；Leiden Institute of Advanced Computer Science (LIACS)（莱顿先进计算机科学研究所）；Leiden University（莱顿大学）；Informatics Institute & Institute for Logic, Language and Computation（信息研究所及逻辑、语言与计算研究所）；University of Amsterdam（阿姆斯特丹大学）
Imperial College London（帝国理工学院）；University of Copenhagen（哥本哈根大学）；University of Oxford（牛津大学）
Stochastic processes provide a mathematically elegant way model complex data. In theory, they provide flexible priors over function classes that can encode a wide range of interesting assumptions. In practice, however, efficient inference by optimisation or marginalisation is difficult, a problem further exacerbated with big data and high dimensional input spaces. We propose a novel variational autoencoder (VAE) called the prior encoding variational autoencoder ($π$VAE). The $π$VAE is finitely exchangeable and Kolmogorov consistent, and thus is a continuous stochastic process. We use $π$VAE to…
This paper introduces a new neural network based prior for real valued functions on $\mathbb R^d$ which, by construction, is more easily and cheaply scaled up in the domain dimension $d$ compared to the usual Karhunen-Loève function space prior. The new prior is a Gaussian neural network prior, where each weight and bias has an independent Gaussian prior, but with the key difference that the variances decrease in the width of the network in such a way that the resulting function is \emph{almost surely} well defined in the limit of an infinite width network. We show that in a Bayesian treatment…
University of Sussex（萨塞克斯大学）；Brighton and Sussex Medical School（布莱顿和萨塞克斯医学院）；St. Vincent’s University Hospital（圣文森特大学医院）；University of Nottingham（诺丁汉大学）；Cardiff University（卡迪夫大学）
Streamlined qBOLD acquisitions enable experimentally straightforward observations of brain oxygen metabolism. $R_2^\prime$ maps are easily inferred; however, the Oxygen extraction fraction (OEF) and deoxygenated blood volume (DBV) are more ambiguously determined from the data. As such, existing inference methods tend to yield very noisy and underestimated OEF maps, while overestimating DBV. This work describes a novel probabilistic machine learning approach that can infer plausible distributions of OEF and DBV. Initially, we create a model that produces informative voxelwise prior distribution…
PriorGuide: Test-Time Prior Adaptation for Simulation-Based Inference
Department of Computer Science, University of Helsinki, Finland（赫尔辛基大学计算机科学系，芬兰）；ELLIS Institute Finland（芬兰ELLIS研究所）；Department of Computer Science, Aalto University, Finland（芬兰阿尔托大学计算机科学系）
ProximalFM: Amortized Proximal Causal Inference under Hidden Confounding
University of Oxford（牛津大学）；Harvard University（哈佛大学）；University of Illinois Urbana-Champaign（伊利诺伊大学厄巴纳-香槟分校）；Perelman School of Medicine, University of Pennsylvania（宾夕法尼亚大学佩雷尔曼医学院）；Vector Institute（向量研究所）；University College London（伦敦大学学院）
Amortized Simulation-Based Inference in Generalized Bayes via Neural Posterior Estimation
Department of Statistics, University of Oxford, Oxford, United Kingdom（英国牛津大学统计系）；Department of Statistics, University of Auckland, Auckland, New Zealand（新西兰奥克兰大学统计系）
Speech Processing and Machine Intelligence (SPMI) Lab（语音处理与机器智能（SPMI）实验室）；Tsinghua University（清华大学）
An ensemble of neural networks is known to be more robust and accurate than an individual network, however usually with linearly-increased cost in both training and testing. In this work, we propose a two-stage method to learn Sparse Structured Ensembles (SSEs) for neural networks. In the first stage, we run SG-MCMC with group sparse priors to draw an ensemble of samples from the posterior distribution of network parameters. In the second stage, we apply weight-pruning to each sampled network and then perform retraining over the remained connections. In this way of learning SSEs with SG-MCMC a…
ETH Zurich（苏黎世联邦理工学院）；MPI for Intelligent Systems（马克斯·普朗克智能系统研究所）
Inferring causal structure poses a combinatorial search problem that typically involves evaluating structures with a score or independence test. The resulting search is costly, and designing suitable scores or tests that capture prior knowledge is difficult. In this work, we propose to amortize causal structure learning. Rather than searching over structures, we train a variational inference model to directly predict the causal structure from observational or interventional data. This allows our inference model to acquire domain-specific inductive biases for causal discovery solely from data g…
Bayesian estimation methods for sparse blind deconvolution problems conventionally employ Bernoulli-Gaussian (BG) prior for modeling sparse sequences and utilize Markov Chain Monte Carlo (MCMC) methods for the estimation of unknowns. However, the discrete nature of the BG model creates computational bottlenecks, preventing efficient exploration of the probability space even with the recently proposed enhanced sampler schemes. To address this issue, we propose an alternative MCMC method by modeling the sparse sequences using the Normal-Inverse-Gamma (NIG) prior. We derive effective Gibbs sample…
The computational complexity of MCMC methods for the exploration of complex probability measures is a challenging and important problem. A challenge of particular importance arises in Bayesian inverse problems where the target distribution may be supported on an infinite dimensional space. In practice this involves the approximation of measures defined on sequences of spaces of increasing dimension. Motivated by an elliptic inverse problem with non-Gaussian prior, we study the design of proposal chains for the Metropolis-Hastings algorithm with dimension independent performance. Dimension-inde…
This paper studies the cooperative learning of two generative flow models, in which the two models are iteratively updated based on the jointly synthesized examples. The first flow model is a normalizing flow that transforms an initial simple density to a target density by applying a sequence of invertible transformations. The second flow model is a Langevin flow that runs finite steps of gradient-based MCMC toward an energy-based model. We start from proposing a generative framework that trains an energy-based model with a normalizing flow as an amortized sampler to initialize the MCMC chains…
In geostatistics, Gaussian random fields are often used to model heterogeneities of soil or subsurface parameters. To give spatial approximations of these random fields, they are discretized. Then, different techniques of geostatistical inversion are used to condition them on measurement data. Among these techniques, Markov chain Monte Carlo (MCMC) techniques stand out, because they yield asymptotically unbiased conditional realizations. However, standard Markov Chain Monte Carlo (MCMC) methods suffer the curse of dimensionality when refining the discretization. This means that their efficienc…
University of California, Los Angeles（加州大学洛杉矶分校）；Stevens Institute of Technology（斯蒂文斯理工学院）
We propose to learn energy-based model (EBM) in the latent space of a generator model, so that the EBM serves as a prior model that stands on the top-down network of the generator model. Both the latent space EBM and the top-down network can be learned jointly by maximum likelihood, which involves short-run MCMC sampling from both the prior and posterior distributions of the latent vector. Due to the low dimensionality of the latent space and the expressiveness of the top-down network, a simple EBM in latent space can capture regularities in the data effectively, and MCMC sampling in latent sp…
Learning a Bayesian network (BN) from data can be useful for decision-making or discovering causal relationships. However, traditional methods often fail in modern applications, which exhibit a larger number of observed variables than data points. The resulting uncertainty about the underlying network as well as the desire to incorporate prior information recommend a Bayesian approach to learning the BN, but the highly combinatorial structure of BNs poses a striking challenge for inference. The current state-of-the-art methods such as order MCMC are faster than previous methods but prevent the…
Amortized Safe Active Learning for Real-Time Data Acquisition: Pretrained Neural Policies From Simulated Nonparametric Functions
Technical University of Berlin（柏林工业大学）；University of Helsinki（赫尔辛基大学）；Robotics Institute Germany（德国机器人研究所）；Bosch Center for Artificial Intelligence（博世人工智能中心）；Baden-Württemberg Cooperative State University, Mannheim（巴登-符腾堡州立合作大学曼海姆校区）
Purdue University（普渡大学）；Department of Statistics（统计系）
We propose a variational Bayesian (VB) procedure for high-dimensional linear model inferences with heavy tail shrinkage priors, such as student-t prior. Theoretically, we establish the consistency of the proposed VB method and prove that under the proper choice of prior specifications, the contraction rate of the VB posterior is nearly optimal. It justifies the validity of VB inference as an alternative of Markov Chain Monte Carlo (MCMC) sampling. Meanwhile, comparing to conventional MCMC methods, the VB procedure achieves much higher computational efficiency, which greatly alleviates the comp…
Markov chain Monte Carlo (MCMC) is one of the main workhorses of probabilistic inference, but it is notoriously hard to measure the quality of approximate posterior samples. This challenge is particularly salient in black box inference methods, which can hide details and obscure inference failures. In this work, we extend the recently introduced bidirectional Monte Carlo technique to evaluate MCMC-based posterior inference algorithms. By running annealed importance sampling (AIS) chains both from prior to posterior and vice versa on simulated data, we upper bound in expectation the symmetrized…
Uncertainty quantification is a critical missing component in radio interferometric imaging that will only become increasingly important as the big-data era of radio interferometry emerges. Since radio interferometric imaging requires solving a high-dimensional, ill-posed inverse problem, uncertainty quantification is difficult but also critical to the accurate scientific interpretation of radio observations. Statistical sampling approaches to perform Bayesian inference, like Markov Chain Monte Carlo (MCMC) sampling, can in principle recover the full posterior distribution of the image, from w…
Among likelihood-based approaches for deep generative modelling, variational autoencoders (VAEs) offer scalable amortized posterior inference and fast sampling. However, VAEs are also more and more outperformed by competing models such as normalizing flows (NFs), deep-energy models, or the new denoising diffusion probabilistic models (DDPMs). In this preliminary work, we improve VAEs by demonstrating how DDPMs can be used for modelling the prior distribution of the latent variables. The diffusion prior model improves upon Gaussian priors of classical VAEs and is competitive with NF-based prior…
The horseshoe prior is frequently employed in Bayesian analysis of high-dimensional models, and has been shown to achieve minimax optimal risk properties when the truth is sparse. While optimization-based algorithms for the extremely popular Lasso and elastic net procedures can scale to dimension in the hundreds of thousands, algorithms for the horseshoe that use Markov chain Monte Carlo (MCMC) for computation are limited to problems an order of magnitude smaller. This is due to high computational cost per step and growth of the variance of time-averaging estimators as a function of dimension.…
Sampling from posterior distributions using Markov chain Monte Carlo (MCMC) methods can require an exhaustive number of iterations, particularly when the posterior is multi-modal as the MCMC sampler can become trapped in a local mode for a large number of iterations. In this paper, we introduce the pseudo-extended MCMC method as a simple approach for improving the mixing of the MCMC sampler for multi-modal posterior distributions. The pseudo-extended method augments the state-space of the posterior using pseudo-samples as auxiliary variables. On the extended space, the modes of the posterior a…
In the context of nonparametric Bayesian estimation a Markov chain Monte Carlo algorithm is devised and implemented to sample from the posterior distribution of the drift function of a continuously or discretely observed one-dimensional diffusion. The drift is modeled by a scaled linear combination of basis functions with a Gaussian prior on the coefficients. The scaling parameter is equipped with a partially conjugate prior. The number of basis function in the drift is equipped with a prior distribution as well. For continuous data, a reversible jump Markov chain algorithm enables the explora…
Bayesian methods are critical for quantifying the behaviors of systems. They capture our uncertainty about a system's behavior using probability distributions and update this understanding as new information becomes available. Probabilistic predictions that incorporate this uncertainty can then be made to evaluate system performance and make decisions. While Bayesian methods are very useful, they are often computationally intensive. This necessitates the development of more efficient algorithms. Here, we discuss a group of population Markov Chain Monte Carlo (MCMC) methods for Bayesian updatin…
Proximal Markov Chain Monte Carlo is a novel construct that lies at the intersection of Bayesian computation and convex optimization, which helped popularize the use of nondifferentiable priors in Bayesian statistics. Existing formulations of proximal MCMC, however, require hyperparameters and regularization parameters to be prespecified. In this work, we extend the paradigm of proximal MCMC through introducing a novel new class of nondifferentiable priors called epigraph priors. As a proof of concept, we place trend filtering, which was originally a nonparametric regression problem, in a para…
Bayesian inference under a set of priors, called robust Bayesian analysis, allows for estimation of parameters within a model and quantification of epistemic uncertainty in quantities of interest by bounded (or imprecise) probability. Iterative importance sampling can be used to estimate bounds on the quantity of interest by optimizing over the set of priors. A method for iterative importance sampling when the robust Bayesian inference rely on Markov chain Monte Carlo (MCMC) sampling is proposed. To accommodate the MCMC sampling in iterative importance sampling, a new expression for the effect…
