Driven by the critical needs of biomanufacturing 4.0, we introduce a probabilistic knowledge graph hybrid model characterizing the risk- and science-based understanding of bioprocess mechanisms. It can faithfully capture the important properties, including nonlinear reactions, partially observed state, and nonstationary dynamics. Given very limited real process observations, we derive a posterior distribution quantifying model estimation uncertainty. To avoid the evaluation of intractable likelihoods, Approximate Bayesian Computation sampling with Sequential Monte Carlo (ABC-SMC) is utilized to approximate the posterior distribution. Under high stochastic and model uncertainties, it is computationally expensive to match output trajectories. Therefore, we create a linear Gaussian dynamic Bayesian network (LG-DBN) auxiliary likelihood-based ABC-SMC approach. Through matching the summary statistics driven through LG-DBN likelihood that can capture critical interactions and variations, the proposed algorithm can accelerate hybrid model inference, support process monitoring, and facilitate mechanism learning and robust control.
Bayesian phylogenetic inference is often conducted via local or sequential search over topologies and branch lengths using algorithms such as random-walk Markov chain Monte Carlo (MCMC) or Combinatorial Sequential Monte Carlo (CSMC). However, when MCMC is used for evolutionary parameter learning, convergence requires long runs with inefficient exploration of the state space. We introduce Variational Combinatorial Sequential Monte Carlo (VCSMC), a powerful framework that establishes variational sequential search to learn distributions over intricate combinatorial structures. We then develop nes…
We introduce a dynamic generative model, Bayesian allocation model (BAM), which establishes explicit connections between nonnegative tensor factorization (NTF), graphical models of discrete probability distributions and their Bayesian extensions, and the topic models such as the latent Dirichlet allocation. BAM is based on a Poisson process, whose events are marked by using a Bayesian network, where the conditional probability tables of this network are then integrated out analytically. We show that the resulting marginal process turns out to be a Polya urn, an integer valued self-reinforcing …
We present a sequential Monte Carlo sampler variant of the partial rejection control algorithm, and show that this variant can be considered as a sequential Monte Carlo sampler with a modified mutation kernel. We prove that the new sampler can reduce the variance of the incremental importance weights when compared with standard sequential Monte Carlo samplers. We provide a study of theoretical properties of the new algorithm, and make connections with some existing algorithms. Finally, the sampler is adapted for application under the challenging "likelihood free," approximate Bayesian computat…
Many real-world problems require one to estimate parameters of interest, in a Bayesian framework, from data that are collected sequentially in time. Conventional methods for sampling from posterior distributions, such as {Markov Chain Monte Carlo} can not efficiently address such problems as they do not take advantage of the data's sequential structure. To this end, sequential methods which seek to update the posterior distribution whenever a new collection of data become available are often used to solve these types of problems. Two popular choices of sequential method are the Ensemble Kalman…
We describe an "embarrassingly parallel" method for Bayesian phylogenetic inference, annealed Sequential Monte Carlo, based on recent advances in the Sequential Monte Carlo literature such as adaptive determination of annealing parameters. The algorithm provides an approximate posterior distribution over trees and evolutionary parameters as well as an unbiased estimator for the marginal likelihood. This unbiasedness property can be used for the purpose of testing the correctness of posterior simulation software. We evaluate the performance of phylogenetic annealed Sequential Monte Carlo by rev…
The main question concerns another recent advance in sequential Monte Carlo, the use of a mixture transition kernel that automatically adapts to the target distribution (Douc et al. 2006). Is there a class of static inference problems for which the backward-kernel approach is better suited, or is it too early to predict which method may have better performance in a particular situation?
Multifidelity approximate Bayesian computation (MF-ABC) is a likelihood-free technique for parameter inference that exploits model approximations to significantly increase the speed of ABC algorithms (Prescott and Baker, 2020). Previous work has considered MF-ABC only in the context of rejection sampling, which does not explore parameter space particularly efficiently. In this work, we integrate the multifidelity approach with the ABC sequential Monte Carlo (ABC-SMC) algorithm into a new MF-ABC-SMC algorithm. We show that the improvements generated by each of ABC-SMC and MF-ABC to the efficien…
We show how to speed up Sequential Monte Carlo (SMC) for Bayesian inference in large data problems by data subsampling. SMC sequentially updates a cloud of particles through a sequence of distributions, beginning with a distribution that is easy to sample from such as the prior and ending with the posterior distribution. Each update of the particle cloud consists of three steps: reweighting, resampling, and moving. In the move step, each particle is moved using a Markov kernel; this is typically the most computationally expensive part, particularly when the dataset is large. It is crucial to h…
A current challenge for many Bayesian analyses is determining when to terminate high-dimensional Markov chain Monte Carlo simulations. To this end, we propose using an automated sequential stopping procedure that terminates the simulation when the computational uncertainty is small relative to the posterior uncertainty. Such a stopping rule has previously been shown to work well in settings with posteriors of moderate dimension. In this paper, we illustrate its utility in high-dimensional simulations while overcoming some current computational issues. Further, we investigate the relationship b…
Advances in digital sensors, digital data storage and communications have resulted in systems being capable of accumulating large collections of data. In the light of dealing with the challenges that massive data present, this work proposes solutions to inference and filtering problems within the Bayesian framework. Two novel Bayesian inference algorithms are developed for non-linear and non-Gaussian state space models, able to deal with large volumes of data (or observations). These are sequential Markov chain Monte Carlo (MCMC) approaches relying on two key ideas: 1) subsample the massive da…
Bayesian filtering aims at tracking sequentially a hidden process from an observed one. In particular, sequential Monte Carlo (SMC) techniques propagate in time weighted trajectories which represent the posterior probability density function (pdf) of the hidden process given the available observations. On the other hand, Conditional Monte Carlo (CMC) is a variance reduction technique which replaces the estimator of a moment of interest by its conditional expectation given another variable. In this paper we show that up to some adaptations, one can make use of the time recursive nature of SMC a…
Nonlinear non-Gaussian state-space models arise in numerous applications in statistics and signal processing. In this context, one of the most successful and popular approximation techniques is the Sequential Monte Carlo (SMC) algorithm, also known as particle filtering. Nevertheless, this method tends to be inefficient when applied to high dimensional problems. In this paper, we focus on another class of sequential inference methods, namely the Sequential Markov Chain Monte Carlo (SMCMC) techniques, which represent a promising alternative to SMC methods. After providing a unifying framework f…
We present a sequential sampling methodology for weakly structural Markov laws, arising naturally in a Bayesian structure learning context for decomposable graphical models. As a key component of our suggested approach, we show that the problem of graph estimation, which in general lacks natural sequential interpretation, can be recast into a sequential setting by proposing a recursive Feynman-Kac model that generates a flow of junction tree distributions over a space of increasing dimensions. We focus on particle McMC methods to provide samples on this space, in particular on particle Gibbs (…
Nonlinear differential equations (DEs) are used in a wide range of scientific problems to model complex dynamic systems. The differential equations often contain unknown parameters that are of scientific interest, which have to be estimated from noisy measurements of the dynamic system. Generally, there is no closed-form solution for nonlinear DEs, and the likelihood surface for the parameter of interest is multi-modal and very sensitive to different parameter values. We propose a Bayesian framework for nonlinear DE systems. A flexible nonparametric function is used to represent the dynamic pr…
Detection of induced polarisation (IP) effects in airborne electromagnetic (AEM) measurements does not yet have an established methodology. This contribution develops a Bayesian approach to the IP-detectability problem using decoupled transdimensional layered models, and applies an approach novel to geophysics whereby transdimensional proposals are used within the embarrassingly parallelisable and robust static Sequential Monte Carlo (SMC) class of algorithms for the simultaneous inference of parameters and models. Henceforth referring to this algorithm as Reversible Jump Sequential Monte Carl…
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…
Methods of approximate Bayesian computation (ABC) are increasingly used for analysis of complex models. A major challenge for ABC is over-coming the often inherent problem of high rejection rates in the accept/reject methods based on prior:predictive sampling. A number of recent developments aim to address this with extensions based on sequential Monte Carlo (SMC) strategies. We build on this here, introducing an ABC SMC method that uses data-based adaptive weights. This easily implemented and computationally trivial extension of ABC SMC can very substantially improve acceptance rates, as is d…
In this article we consider a Bayesian inverse problem associated to elliptic partial differential equations (PDEs) in two and three dimensions. This class of inverse problems is important in applications such as hydrology, but the complexity of the link function between unknown field and measurements can make it difficult to draw inference from the associated posterior. We prove that for this inverse problem a basic SMC method has a Monte Carlo rate of convergence with constants which are independent of the dimension of the discretization of the problem; indeed convergence of the SMC method i…
Stochastic reaction network models are often used to explain and predict the dynamics of gene regulation in single cells. These models usually involve several parameters, such as the kinetic rates of chemical reactions, that are not directly measurable and must be inferred from experimental data. Bayesian inference provides a rigorous probabilistic framework for identifying these parameters by finding a posterior parameter distribution that captures their uncertainty. Traditional computational methods for solving inference problems such as Markov Chain Monte Carlo methods based on classical Me…
Phylogenetics, the inference of evolutionary trees from molecular sequence data such as DNA, is an enterprise that yields valuable evolutionary understanding of many biological systems. Bayesian phylogenetic algorithms, which approximate a posterior distribution on trees, have become a popular if computationally expensive means of doing phylogenetics. Modern data collection technologies are quickly adding new sequences to already substantial databases. With all current techniques for Bayesian phylogenetics, computation must start anew each time a sequence becomes available, making it costly to…
Northeastern University（东北大学）；National University of Singapore（新加坡国立大学）；University of Massachusetts Lowell（马萨诸塞大学洛厄尔分校）
While biomanufacturing plays a significant role in supporting the economy and ensuring public health, it faces critical challenges, including complexity, high variability, lengthy lead time, and very limited process data, especially for personalized new cell and gene biotherapeutics. Driven by these challenges, we propose an interpretable semantic bioprocess probabilistic knowledge graph and develop a game theory based risk and sensitivity analyses for production process to facilitate quality-by-design and stability control. Specifically, by exploring the causal relationships and interactions …
The likelihood-free sequential Approximate Bayesian Computation (ABC) algorithms, are increasingly popular inference tools for complex biological models. Such algorithms proceed by constructing a succession of probability distributions over the parameter space conditional upon the simulated data lying in an $ε$--ball around the observed data, for decreasing values of the threshold $ε$. While in theory, the distributions (starting from a suitably defined prior) will converge towards the unknown posterior as $ε$ tends to zero, the exact sequence of thresholds can impact upon the computational ef…
University of Oxford（牛津大学）；Carnegie Mellon University（卡内基梅隆大学）
The problem of sequentially maximizing the expectation of a function seeks to maximize the expected value of a function of interest without having direct control on its features. Instead, the distribution of such features depends on a given context and an action taken by an agent. In contrast to Bayesian optimization, the arguments of the function are not under agent's control, but are indirectly determined by the agent's action based on a given context. If the information of the features is to be included in the maximization problem, the full conditional distribution of such features, rather …
Applied Artificial Intelligence Institute (A2I2)（应用人工智能研究所（A2I2））；Deakin University（迪肯大学）
We propose an algorithm for Bayesian functional optimisation - that is, finding the function to optimise a process - guided by experimenter beliefs and intuitions regarding the expected characteristics (length-scale, smoothness, cyclicity etc.) of the optimal solution encoded into the covariance function of a Gaussian Process. Our algorithm generates a sequence of finite-dimensional random subspaces of functional space spanned by a set of draws from the experimenter's Gaussian Process. Standard Bayesian optimisation is applied on each subspace, and the best solution found used as a starting po…
Cooperation is often implicitly assumed when learning from other agents. Cooperation implies that the agent selecting the data, and the agent learning from the data, have the same goal, that the learner infer the intended hypothesis. Recent models in human and machine learning have demonstrated the possibility of cooperation. We seek foundational theoretical results for cooperative inference by Bayesian agents through sequential data. We develop novel approaches analyzing consistency, rate of convergence and stability of Sequential Cooperative Bayesian Inference (SCBI). Our analysis of the eff…
We develop a Bayesian approach to learning from sequential data by using Gaussian processes (GPs) with so-called signature kernels as covariance functions. This allows to make sequences of different length comparable and to rely on strong theoretical results from stochastic analysis. Signatures capture sequential structure with tensors that can scale unfavourably in sequence length and state space dimension. To deal with this, we introduce a sparse variational approach with inducing tensors. We then combine the resulting GP with LSTMs and GRUs to build larger models that leverage the strengths…
State University of New York at Buffalo（纽约州立大学布法罗分校）；University of California, Irvine（加州大学欧文分校）
Current state-of-the-art nonparametric Bayesian text clustering methods model documents through multinomial distribution on bags of words. Although these methods can effectively utilize the word burstiness representation of documents and achieve decent performance, they do not explore the sequential information of text and relationships among synonyms. In this paper, the documents are modeled as the joint of bags of words, sequential features and word embeddings. We proposed Sequential Embedding induced Dirichlet Process Mixture Model (SiDPMM) to effectively exploit this joint document represe…
This paper is about index policies for minimizing (frequentist) regret in a stochastic multi-armed bandit model, inspired by a Bayesian view on the problem. Our main contribution is to prove that the Bayes-UCB algorithm, which relies on quantiles of posterior distributions, is asymptotically optimal when the reward distributions belong to a one-dimensional exponential family, for a large class of prior distributions. We also show that the Bayesian literature gives new insight on what kind of exploration rates could be used in frequentist, UCB-type algorithms. Indeed, approximations of the Baye…
University of Edinburgh（爱丁堡大学）；Queensland University of Technology（昆士兰科技大学）
Bayesian experimental design (BED) is a framework that uses statistical models and decision making under uncertainty to optimise the cost and performance of a scientific experiment. Sequential BED, as opposed to static BED, considers the scenario where we can sequentially update our beliefs about the model parameters through data gathered in the experiment. A class of models of particular interest for the natural and medical sciences are implicit models, where the data generating distribution is intractable, but sampling from it is possible. Even though there has been a lot of work on static B…
Groupe PSA（标致雪铁龙集团）；École Nationale Supérieure des Mines de Saint-Étienne（圣艾蒂安国立高等矿业学校）；CNRS LIMOS（法国国家科学研究中心LIMOS实验室）；INRA Toulouse（法国国家农业科学研究院图卢兹分院）
Multi-objective optimization aims at finding trade-off solutions to conflicting objectives. These constitute the Pareto optimal set. In the context of expensive-to-evaluate functions, it is impossible and often non-informative to look for the entire set. As an end-user would typically prefer a certain part of the objective space, we modify the Bayesian multi-objective optimization algorithm which uses Gaussian Processes to maximize the Expected Hypervolume Improvement, to focus the search in the preferred region. The cumulated effects of the Gaussian Processes and the targeting strategy lead t…
University of Warwick（华威大学）；The Alan Turing Institute（艾伦·图灵研究所）
We introduce a framework for inference in general state-space hidden Markov models (HMMs) under likelihood misspecification. In particular, we leverage the loss-theoretic perspective of Generalized Bayesian Inference (GBI) to define generalised filtering recursions in HMMs, that can tackle the problem of inference under model misspecification. In doing so, we arrive at principled procedures for robust inference against observation contamination by utilising the $β$-divergence. Operationalising the proposed framework is made possible via sequential Monte Carlo methods (SMC), where most standard…
We introduce Deep Adaptive Design (DAD), a method for amortizing the cost of adaptive Bayesian experimental design that allows experiments to be run in real-time. Traditional sequential Bayesian optimal experimental design approaches require substantial computation at each stage of the experiment. This makes them unsuitable for most real-world applications, where decisions must typically be made quickly. DAD addresses this restriction by learning an amortized design network upfront and then using this to rapidly run (multiple) adaptive experiments at deployment time. This network represents a …
We propose a general formalism of iterated random functions with semigroup property, under which exact and approximate Bayesian posterior updates can be viewed as specific instances. A convergence theory for iterated random functions is presented. As an application of the general theory we analyze convergence behaviors of exact and approximate message-passing algorithms that arise in a sequential change point detection problem formulated via a latent variable directed graphical model. The sequential inference algorithm and its supporting theory are illustrated by simulated examples.
Goal-Oriented Sequential Bayesian Experimental Design for Causal Learning
Department of Computer Science and Engineering（计算机科学与工程系）；Department of Mechanical Engineering（机械工程系）；Gilbert S. Omenn Department of Computational Medicine and Bioinformatics（Gilbert S. Omenn 计算医学与生物信息学部门）
The Kalman filter (KF) is used in a variety of applications for computing the posterior distribution of latent states in a state space model. The model requires a linear relationship between states and observations. Extensions to the Kalman filter have been proposed that incorporate linear approximations to nonlinear models, such as the extended Kalman filter (EKF) and the unscented Kalman filter (UKF). However, we argue that in cases where the dimensionality of observed variables greatly exceeds the dimensionality of state variables, a model for $p(\text{state}|\text{observation})$ proves bot…
