Bayesian Inference
Design, Cups, and Blankets. A Free-Energy-Principle-Based Approach to Product Design
Classical design theory treats the type of an object as a given: the designer decides in advance that this will be a cup, then optimizes its parameters. This paper argues that object type is not a presupposition but an inference, something that can be determined from physical data and functional requirements jointly. We call this problem requirement-steered interface type inference and show that it is inexpressible within existing design frameworks. This paper makes two contributions that are jointly necessary and individually incomplete. The first is the problem itself, which classical design cannot pose because it presupposes the very thing our problem seeks to determine. The second is C-DMBD, a constrained extension of the Dynamic Markov Blanket Detection algorithm, which makes requirement-steered inference computationally tractable. Drawing on the free-energy principle and active inference, established frameworks in theoretical neuroscience and Bayesian mechanics, we model a product's surface as a Markov blanket: the minimal boundary through which all causal exchange between object and environment must pass. Different blanket structures correspond to different object types; different parameterizations of the same structure correspond to different functional modes of the same type. This paper is a proof of concept and a theoretical proposal. It reframes design as inference rather than optimization, and as a relation between generative models rather than a specification of parameters.
A Continuous-Time Ensemble Kalman-Bucy Smoother for Causal Inference and Model Discovery
Jiang, Zhang, Andreou, Marios, Reich, Sebastian, Chen, Nan
Data assimilation (DA) integrates observational information with model predictions to improve state estimation in complex systems. While filtering provides the basis for online forecasts by using only past and present observations, it can exhibit delays and biases when the underlying dynamics evolve rapidly or undergo regime transitions. Smoothing, which additionally incorporates future observations, provides a natural pipeline for hindcasting and reanalysis that yields an uncertainty reduction beyond the filter. This paper introduces an ensemble Kalman-Bucy smoother (EnKBS) for continuous-time DA of nonlinear dynamical systems, where the smoother's conditional distributions are reconstructed using ensemble moments. The result is a derivative-free framework that does not require explicit computation of tangent-linear or adjoint models, which converges to the exact smoother solution at the infinite-ensemble limit for a wide class of complex systems. Incorporating standard regularization techniques for high-dimensional systems, such as covariance localization and inflation, the skill of the EnKBS is demonstrated in various important scientific problems. By integrating future observations, which reveal the underlying causal mechanisms for retrospective state updates, the EnKBS is used for Bayesian-based inference of causal relationships and their temporal influence range in a dyadic trigger-feedback model and the development of a causality-driven iterative learning algorithm that identifies the structure and recovers the hidden parameters of a nonlinear reduced-order model mimicking midlatitude atmospheric circulation. Notably, both tasks remain effective with an ensemble size of $O(10)$ under partial observations, suggesting that EnKBS can support the instantaneous discovery of high-dimensional complex systems over time.
Missingness-aware Data Imputation via AI-powered Bayesian Generative Modeling
Missing data imputation remains a fundamental challenge in modern data science, especially when uncertainty quantification is essential. In this work, we propose MissBGM, an AI-powered missing data imputation method via Bayesian generative modeling that bridges the expressive flexibility of neural networks with the statistical rigor of Bayesian inference. Unlike existing methods that often focus on point estimates or treat the missingness mechanism implicitly, MissBGM explicitly and jointly models the data-generating and missingness mechanisms, providing principled posterior uncertainty over imputations rather than a single point estimate. We develop a stochastic optimization framework with alternating updates among missing values, model parameters, and latent variables until convergence. Our theoretical analysis shows that estimates of missing values from MissBGM converge consistently under mild assumptions. Empirically, we demonstrate that MissBGM achieves superior performance over traditional imputers and recent neural network-based methods across extensive experimental settings. These results establish MissBGM as a principled and scalable solution for modern missing data imputation.
MIRA: A Score for Conditional Distribution Accuracy and Model Comparison
Sharief, Sammy, Zeghal, Justine, Barco, Gabriel Missael, Lemos, Pablo, Hezaveh, Yashar, Perreault-Levasseur, Laurence
We introduce Mira, a sample-based score for assessing the accuracy of a candidate conditional distribution using only joint samples from the true data-generating process. Relying on the principle that distributions coincide if they assign equal probability mass to all regions, we derive an analytic expression for the Mira statistic, whose average defines the Mira score. This formulation further allows us to compute theoretical reference values and uncertainty estimates when the candidate distribution matches the true one. This framework enables model comparison by quantifying the alignment between the conditional distribution of a candidate model and the true data generating process. Consequently, Mira enables Bayesian model comparison through direct posterior validation, bypassing the challenging evidence computation. We demonstrate its effectiveness across several toy problems and Bayesian inference tasks.
Measuring Differences between Conditional Distributions using Kernel Embeddings
Moskvichev, Peter, Chau, Siu Lun, Sejdinovic, Dino
Comparing conditional distributions is a fundamental challenge in statistics and machine learning, with applications across a wide range of domains. While proposed methods for measuring discrepancies using kernel embeddings of distributions in a reproducing kernel Hilbert space (RKHS) provide powerful non-parametric techniques, the existing literature remains fragmented and lacks a unified theoretical treatment. This paper addresses this gap by establishing a coherent framework for studying kernel-based methods to measure divergence between conditional distributions through what we refer to as conditional maximum mean discrepancy (CMMD). The CMMD consists of a family of metrics which we call levels, with three special cases each using a different type of RKHS embedding: CMMD$_0$ (conditional mean operators), CMMD$_1$ (conditional mean embeddings), and CMMD$_2$ (joint mean embeddings). We additionally introduce a general level $s$ CMMD, clarifying the required assumptions, and establishing mathematical connections between the levels through the lens of operator-based smoothing. In addition to reviewing previously proposed estimators, we introduce a novel doubly robust estimator for the CMMD that maintains consistency provided at least one of the underlying models is correctly specified. We provide numerical experiments demonstrating that the CMMD effectively captures complex conditional dependencies for statistical testing.
Online Generalised Predictive Coding
Bazargani, Mehran H. Z., Urbas, Szymon, Razi, Adeel, Murphy, Thomas Brendan, Friston, Karl
Despite being confined within the interior darkness of the skull, the human brain possesses a remarkable ability to interpret, understand and analyse the world out there, plan for unseen futures, and make decisions that can alter the course of events. This extraordinary capability is conjectured to come from the brain's function as a predictive machine, constantly inferring the hidden causes of its sensory inputs to maintain a coherent model of its environment. This view, which dates back to Helmholtz's idea of "perception as unconscious inference" (von Helmholtz, 1866)--evolving into the "Bayesian brain" hypothesis (Doya et al., 2007)--suggests that the brain operates as a constructive statistical organ. It updates its beliefs about the external world based on incoming sensory data under a generative model (GM). The GM furnishes the brain with a structured representation that supports probabilistic beliefs over both the latent dynamical states of the external world, corresponding to the generative process (GP), as well as the observation mappings through which these states give rise to sensory signals. Essentially, the brain continually refines its probabilistic beliefs about both the latent states and the causal mechanisms of the world through a process of online triple estimation, jointly optimising beliefs over: hidden states, model parameters, and their associated uncertainties in accordance with the principles of Bayesian inference (Eells, 2004; Parr et al., 2022). More technically, given a sensory observation yt at time t, perception can be formulated as an online triple estimation scheme, whose three components are: 1) online hidden state inference, 2) online parameter learning, and 3) online uncertainty estimation, all three of which are the core components of our proposed online generalised PC scheme and are elaborated in Section.
The Bayesian Reflex: Online Learning as the Autonomic Nervous System of Modern and Future AI
Bhattacharya, Durba, Roy, Sucharita, Bhattacharya, Sourabh
This chapter introduces the Bayesian reflex -- an analogy with the autonomic nervous system -- as a unifying framework for online learning in AI. Bayesian online algorithms automatically maintain equilibrium in dynamic environments via three mechanisms: belief maintenance through probabilistic representations, sequential updating via Bayes' theorem, and uncertainty-driven action balancing exploration and exploitation. We survey online Bayesian methods, highlighting two computational principles: the look-up table principle for sequential inference in function space, and the ellipsoidal decomposition framework for nearly exact i.i.d. sampling from arbitrary posteriors. These principles are generalized across dynamic emulation, nonparametric state-space models, circular time series, inverse regression for climate model evaluation, and deep architectures via Recursive Gaussian Processes. Decision-making is explored via Thompson sampling and restless bandits. We extend the framework to assess infinite series convergence (applied to climate dynamics and the Riemann Hypothesis), model prime number distributions leading to the discovery of 184 strong Mersenne prime candidates, detect stationarity, and characterize point processes. The Bayesian reflex provides a foundational infrastructure for adaptive AI that continuously learns in a complex world.
Provable and scalable quantum Gaussian processes for quantum learning
Jรคger, Jonas, Braccia, Paolo, Bermejo, Pablo, Algaba, Manuel G., Garcรญa-Martรญn, Diego, Cerezo, M.
Despite rapid recent advances in quantum machine learning, the field is in many ways stuck. Existing approaches can exhibit serious limitations, and we still lack learning frameworks that are simple, interpretable, scalable, and naturally suited to quantum data. To address this, here we introduce quantum Gaussian processes, a Bayesian framework for learning from quantum systems through priors over unknown quantum transformations. We show that, under suitable conditions, unitary quantum stochastic processes define Gaussian processes, thereby enabling regression, classification, and Bayesian optimization directly on quantum data. The key ingredient in this framework is sufficient knowledge of a quantum process's structure and symmetries to define an informative prior through its corresponding quantum kernel, effectively injecting a strong, physics-informed inductive bias into the learning model. We then prove that matchgate, or free-fermionic, evolutions give rise to provable and scalable quantum Gaussian processes, providing the first family in our framework where the unknown unitary acts non-trivially on all qubits. Finally, we demonstrate accurate long-range extrapolation, phase-diagram learning in many-body systems, and sample-efficient Bayesian optimization in a quantum sensing task. Our results identify quantum Gaussian processes as a promising route toward simpler and more structured forms of quantum learning.
Concentration and Calibration in Predictive Bayesian Inference
Predictive Bayesian inference (PBI) represents a model-and prior-agnostic approach to standard Bayesian inference which allows users to quantify uncertainty for a functional of interest only by specifying a forward predictive model for future unobserved data. The flexibility and generality of this framework have led to a host of novel algorithms for implementing this approach, and many empirical applications, yet the reliability of the resulting inferences for the underlying statistical functional of interest remains unclear. Herein, we demonstrate that when using PBI for a population functional of interest, the resulting posterior concentrates onto a well-defined quantity that explicitly depends on the forward predictive model used to implement the predictive recursion underlying the method. Furthermore, the forward predictive model entirely determines the uncertainty quantification produced in PBI. Consequently, our results show that if the predictive model does not capture all relevant features of the data, and, even in very simple examples, the coverage of predictive Bayes credible sets for the population value of the functional of interest can be arbitrarily close to zero. We carefully explain why this occurs, and show that this behavior is directly tied to the inaccuracy of the forward predictive model used to produce future observations within the PBI framework. As a consequence, our results imply that in order for PBI to deliver calibrated posterior inferences, the resulting predictive engine used to generate posterior samples must contain, in a well-defined sense, the true DGP, else inferences generated under this framework will not be calibrated.
Decentralized Proximal Stochastic Gradient Langevin Dynamics
Islam, Mohammad Rafiqul, Zhu, Lingjiong
Decentralized learning is a learning process in which data is distributed across computational agents or collected by individual agents, and model parameters are computed as the consensus of the agents. It has gained a lot of interest for applications where agents can collaboratively learn a predictive model without sharing their own data, but sharing only their local models with their immediate neighbors to generate a global model [He et al., 2018, Hendrikx et al., 2019, Arjevani et al., 2020]. We assume there are N agents who are connected over an undirected communication network G = (V,E) where V = {1,...,N} represents the agents and E V V denotes the set of edges; i.e., if agent i and j are connected then (i,j) E implies (j,i) E. Suppose we have a collection of n independent and identically distributed (i.i.d.) data pairs zi = (ai,yi), where ai Rp is the feature vector and yi the label or response of the i-th observation. Let Z = [z1,z2,,zn] Rnp be sampled from the distribution p(Z|x) where the parameter x Rd has a common prior. The goal is to sample from the posterior distribution p(x|Z) p(Z|x)p(x) by distributing Z among N agents such that Zi = {zi1,zi2,,zini} is the subset of data exclusive to agent i.