Bayesian Inference
Bounding Wasserstein distance with couplings
Markov chain Monte Carlo (MCMC) provides asymptotically consistent estimates of intractable posterior expectations as the number of iterations tends to infinity. However, in large data applications, MCMC can be computationally expensive per iteration. This has catalyzed interest in sampling methods such as approximate MCMC, which trade off asymptotic consistency for improved computational speed. In this article, we propose estimators based on couplings of Markov chains to assess the quality of such asymptotically biased sampling methods. The estimators give empirical upper bounds of the Wassertein distance between the limiting distribution of the asymptotically biased sampling method and the original target distribution of interest. We establish theoretical guarantees for our upper bounds and show that our estimators can remain effective in high dimensions. We apply our quality measures to stochastic gradient MCMC, variational Bayes, and Laplace approximations for tall data and to approximate MCMC for Bayesian logistic regression in 4500 dimensions and Bayesian linear regression in 50000 dimensions.
Exponential Family Model-Based Reinforcement Learning via Score Matching
Li, Gene, Li, Junbo, Srebro, Nathan, Wang, Zhaoran, Yang, Zhuoran
This paper studies the regret minimization problem for finite horizon, episodic reinforcement learning (RL) with infinitely large state and action spaces. Empirically, RL has achieved success in diverse domains, even when the problem size (measured in the number of states and actions) explodes [35, 44, 28]. The key to developing sample-efficient algorithms is to leverage function approximation, enabling us to generalize across different state-action pairs. Much theoretical progress has been made towards understanding function approximation in RL. Existing theory typically requires strong linearity assumptions on transition dynamics [e.g., 55, 26, 10, 36] or action-value functions [e.g., 30, 57] of the Markov Decision Process (MDP). However, most real world problems are nonlinear, and our theoretical understanding of these settings remains limited. Thus, we ask the question: Can we design provably efficient RL algorithms in nonlinear environments? Recently, Chowdhury et al. [13] introduced a nonlinear setting where the state-transition measures are finitely parameterized exponential family models, and they proposed to estimate model parameters via maximum likelihood estimation (MLE). The exponential family is a well-studied and powerful statistical framework, so it is a natural model class to consider beyond linear models.
Interpreting Dynamical Systems as Bayesian Reasoners
Virgo, Nathaniel, Biehl, Martin, McGregor, Simon
A central concept in active inference is that the internal states of a physical system parametrise probability measures over states of the external world. These can be seen as an agent's beliefs, expressed as a Bayesian prior or posterior. Here we begin the development of a general theory that would tell us when it is appropriate to interpret states as representing beliefs in this way. We focus on the case in which a system can be interpreted as performing either Bayesian filtering or Bayesian inference. We provide formal definitions of what it means for such an interpretation to exist, using techniques from category theory.
A generalization gap estimation for overparameterized models via the Langevin functional variance
This paper discusses the estimation of the generalization gap, the difference between a generalization error and an empirical error, for overparameterized models (e.g., neural networks). We first show that a functional variance, a key concept in defining a widely-applicable information criterion, characterizes the generalization gap even in overparameterized settings where a conventional theory cannot be applied. We also propose a computationally efficient approximation of the function variance, the Langevin approximation of the functional variance (Langevin FV). This method leverages only the $1$st-order gradient of the squared loss function, without referencing the $2$nd-order gradient; this ensures that the computation is efficient and the implementation is consistent with gradient-based optimization algorithms. We demonstrate the Langevin FV numerically by estimating the generalization gaps of overparameterized linear regression and non-linear neural network models.
Reactive Message Passing for Scalable Bayesian Inference
Bagaev, Dmitry, de Vries, Bert
We introduce Reactive Message Passing (RMP) as a framework for executing schedule-free, robust and scalable message passing-based inference in a factor graph representation of a probabilistic model. RMP is based on the reactive programming style that only describes how nodes in a factor graph react to changes in connected nodes. The absence of a fixed message passing schedule improves robustness, scalability and execution time of the inference procedure. We also present ReactiveMP.jl, which is a Julia package for realizing RMP through minimization of a constrained Bethe free energy. By user-defined specification of local form and factorization constraints on the variational posterior distribution, ReactiveMP.jl executes hybrid message passing algorithms including belief propagation, variational message passing, expectation propagation, and expectation maximisation update rules. Experimental results demonstrate the improved performance of ReactiveMP-based RMP in comparison to other Julia packages for Bayesian inference across a range of probabilistic models. In particular, we show that the RMP framework is able to run Bayesian inference for large-scale probabilistic state space models with hundreds of thousands of random variables on a standard laptop computer.
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Surrogate Likelihoods for Variational Annealed Importance Sampling
Variational inference is a powerful paradigm for approximate Bayesian inference with a number of appealing properties, including support for model learning and data subsampling. By contrast MCMC methods like Hamiltonian Monte Carlo do not share these properties but remain attractive since, contrary to parametric methods, MCMC is asymptotically unbiased. For these reasons researchers have sought to combine the strengths of both classes of algorithms, with recent approaches coming closer to realizing this vision in practice. However, supporting data subsampling in these hybrid methods can be a challenge, a shortcoming that we address by introducing a surrogate likelihood that can be learned jointly with other variational parameters. We argue theoretically that the resulting algorithm permits the user to make an intuitive trade-off between inference fidelity and computational cost. In an extensive empirical comparison we show that our method performs well in practice and that it is well-suited for black-box inference in probabilistic programming frameworks.
Identifying Mixtures of Bayesian Network Distributions
Gordon, Spencer L., Mazaheri, Bijan, Rabani, Yuval, Schulman, Leonard J.
A Bayesian Network is a directed acyclic graph (DAG) on a set of $n$ random variables (identified with the vertices); a Bayesian Network Distribution (BND) is a probability distribution on the rv's that is Markovian on the graph. A finite mixture of such models is the projection on these variables of a BND on the larger graph which has an additional "hidden" (or "latent") random variable $U$, ranging in $\{1,\ldots,k\}$, and a directed edge from $U$ to every other vertex. Models of this type are fundamental to research in Causal Inference, where $U$ models a confounding effect. One extremely special case has been of longstanding interest in the theory literature: the empty graph. Such a distribution is simply a mixture of $k$ product distributions. A longstanding problem has been, given the joint distribution of a mixture of $k$ product distributions, to identify each of the product distributions, and their mixture weights. Our results are: (1) We improve the sample complexity (and runtime) for identifying mixtures of $k$ product distributions from $\exp(O(k^2))$ to $\exp(O(k \log k))$. This is almost best possible in view of a known $\exp(\Omega(k))$ lower bound. (2) We give the first algorithm for the case of non-empty graphs. The complexity for a graph of maximum degree $\Delta$ is $\exp(O(k(\Delta^2 + \log k)))$. (The above complexities are approximate and suppress dependence on secondary parameters.)
Transformers Can Do Bayesian Inference
Müller, Samuel, Hollmann, Noah, Arango, Sebastian Pineda, Grabocka, Josif, Hutter, Frank
Currently, it is hard to reap the benefits of deep learning for Bayesian methods, which allow the explicit specification of prior knowledge and accurately capture model uncertainty. We present Prior-Data Fitted Networks (PFNs). PFNs leverage large-scale machine learning techniques to approximate a large set of posteriors. The only requirement for PFNs to work is the ability to sample from a prior distribution over supervised learning tasks (or functions). Our method restates the objective of posterior approximation as a supervised classification problem with a set-valued input: it repeatedly draws a task (or function) from the prior, draws a set of data points and their labels from it, masks one of the labels and learns to make probabilistic predictions for it based on the set-valued input of the rest of the data points. Presented with a set of samples from a new supervised learning task as input, PFNs make probabilistic predictions for arbitrary other data points in a single forward propagation, having learned to approximate Bayesian inference. We demonstrate that PFNs can near-perfectly mimic Gaussian processes and also enable efficient Bayesian inference for intractable problems, with over 200-fold speedups in multiple setups compared to current methods. We obtain strong results in very diverse areas such as Gaussian process regression, Bayesian neural networks, classification for small tabular data sets, and few-shot image classification, demonstrating the generality of PFNs. Code and trained PFNs are released at https://github.com/automl/TransformersCanDoBayesianInference.
Variational Bayes for high-dimensional proportional hazards models with applications to gene expression variable selection
Komodromos, Michael, Aboagye, Eric, Evangelou, Marina, Filippi, Sarah, Ray, Kolyan
The development of high-throughput sequencing technologies has led to the production of largescale molecular profiling data, allowing us to gain insights into underlying biological processes (Wid lak, 2013). One such technology is microarray sequencing, in which mRNA counts are used to describe gene expression. Such data, known as transcriptomics, are widely used in the biomedical domain and when analyzed alongside survival times have provided extraordinary opportunities for biomarker characterization and prognostic modelling (Bøvelstad et al., 2007; Lloyd et al., 2015; Lightbody et al., 2019; Lu et al., 2021). However, profiling data is often high-dimensional, which introduces several statistical challenges including: (i) variable selection, (ii) effect estimation of the features, and (iii) scalable computation. The task of variable selection is particularly important, as few genes typically have an effect on the outcome. Motivated by clinical applicability, we propose a state-of-the-art scalable (variational) Bayesian variable selection method for the proportional hazards models. In recent years, several methods have been proposed to analyze sparse high-dimensional data, with one of the most popular being the LASSO (Tibshirani, 1996). As biomedical studies are often concerned with clinical phenotypes, such as time to disease recurrence or overall survival time, these methods have been adapted to support survival analysis (Antoniadis et al., 2010; Witten and Tibshirani, 2010). For instance, the LASSO, ridge and elastic-net penalties have all been extended to the proportional hazards model (Tibshirani, 1997; Gui and Li, 2005; Zou and Hastie, 2005; Simon et al., 2011).