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1. Efficient derivative-free Bayesian inference for large-scale inverse problems

   https://doi.org/10.1088/1361-6420/ac99fa  

   Huang, Daniel Zhengyu ; Huang, Jiaoyang ; Reich, Sebastian ; Stuart, Andrew M ( October 2022 , Inverse Problems)

   Abstract We consider Bayesian inference for large-scale inverse problems, where computational challenges arise from the need for repeated evaluations of an expensive forward model. This renders most Markov chain Monte Carlo approaches infeasible, since they typically require O ( 1 0 4 ) model runs, or more. Moreover, the forward model is often given as a black box or is impractical to differentiate. Therefore derivative-free algorithms are highly desirable. We propose a framework, which is built on Kalman methodology, to efficiently perform Bayesian inference in such inverse problems. The basic method is based on an approximation of the filtering distribution of a novel mean-field dynamical system, into which the inverse problem is embedded as an observation operator. Theoretical properties are established for linear inverse problems, demonstrating that the desired Bayesian posterior is given by the steady state of the law of the filtering distribution of the mean-field dynamical system, and proving exponential convergence to it. This suggests that, for nonlinear problems which are close to Gaussian, sequentially computing this law provides the basis for efficient iterative methods to approximate the Bayesian posterior. Ensemble methods are applied to obtain interacting particle system approximations of the filtering distribution of the mean-field model; and practical strategies to further reduce the computational and memory cost of the methodology are presented, including low-rank approximation and a bi-fidelity approach. The effectiveness of the framework is demonstrated in several numerical experiments, including proof-of-concept linear/nonlinear examples and two large-scale applications: learning of permeability parameters in subsurface flow; and learning subgrid-scale parameters in a global climate model. Moreover, the stochastic ensemble Kalman filter and various ensemble square-root Kalman filters are all employed and are compared numerically. The results demonstrate that the proposed method, based on exponential convergence to the filtering distribution of a mean-field dynamical system, is competitive with pre-existing Kalman-based methods for inverse problems. 

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2. A fast asynchronous Markov chain Monte Carlo sampler for sparse Bayesian inference

   https://doi.org/10.1093/jrsssb/qkad078  

   Atchadé, Yves ; Wang, Liwei ( September 2023 , Journal of the Royal Statistical Society Series B: Statistical Methodology)

   We propose a very fast approximate Markov chain Monte Carlo sampling framework that is applicable to a large class of sparse Bayesian inference problems. The computational cost per iteration in several regression models is of order O(n(s+J)), where n is the sample size, s is the underlying sparsity of the model, and J is the size of a randomly selected subset of regressors. This cost can be further reduced by data sub-sampling when stochastic gradient Langevin dynamics are employed. The algorithm is an extension of the asynchronous Gibbs sampler of Johnson et al. [(2013). Analyzing Hogwild parallel Gaussian Gibbs sampling. In Proceedings of the 26th International Conference on Neural Information Processing Systems (NIPS’13) (Vol. 2, pp. 2715–2723)], but can be viewed from a statistical perspective as a form of Bayesian iterated sure independent screening [Fan, J., Samworth, R., & Wu, Y. (2009). Ultrahigh dimensional feature selection: Beyond the linear model. Journal of Machine Learning Research, 10, 2013–2038]. We show that in high-dimensional linear regression problems, the Markov chain generated by the proposed algorithm admits an invariant distribution that recovers correctly the main signal with high probability under some statistical assumptions. Furthermore, we show that its mixing time is at most linear in the number of regressors. We illustrate the algorithm with several models.

    

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3. Computational techniques for parameter estimation of gravitational wave signals

   https://doi.org/10.1002/wics.1532  

   Meyer, Renate ; Edwards, Matthew C. ; Maturana‐Russel, Patricio ; Christensen, Nelson ( September 2020 , WIREs Computational Statistics)

   Since the very first detection of gravitational waves from the coalescence of two black holes in 2015, Bayesian statistical methods have been routinely applied by LIGO and Virgo to extract the signal out of noisy interferometric measurements, obtain point estimates of the physical parameters responsible for producing the signal, and rigorously quantify their uncertainties. Different computational techniques have been devised depending on the source of the gravitational radiation and the gravitational waveform model used. Prominent sources of gravitational waves are binary black hole or neutron star mergers, the only objects that have been observed by detectors to date. But also gravitational waves from core‐collapse supernovae, rapidly rotating neutron stars, and the stochastic gravitational‐wave background are in the sensitivity band of the ground‐based interferometers and expected to be observable in future observation runs. As nonlinearities of the complex waveforms and the high‐dimensional parameter spaces preclude analytic evaluation of the posterior distribution, posterior inference for all these sources relies on computer‐intensive simulation techniques such as Markov chain Monte Carlo methods. A review of state‐of‐the‐art Bayesian statistical parameter estimation methods will be given for researchers in this cross‐disciplinary area of gravitational wave data analysis.

   This article is categorized under:

   Applications of Computational Statistics > Signal and Image Processing and Coding

   Statistical and Graphical Methods of Data Analysis > Markov Chain Monte Carlo (MCMC)

   Statistical Models > Time Series Models

    

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4. High-dimensional nonlinear Bayesian inference of poroelastic fields from pressure data

   https://doi.org/10.1177/10812865221140840  

   Karimi, Mina ; Massoudi, Mehrdad ; Dayal, Kaushik ; Pozzi, Matteo ( February 2023 , Mathematics and Mechanics of Solids)

   We investigate solution methods for large-scale inverse problems governed by partial differential equations (PDEs) via Bayesian inference. The Bayesian framework provides a statistical setting to infer uncertain parameters from noisy measurements. To quantify posterior uncertainty, we adopt Markov Chain Monte Carlo (MCMC) approaches for generating samples. To increase the efficiency of these approaches in high-dimension, we make use of local information about gradient and Hessian of the target potential, also via Hamiltonian Monte Carlo (HMC). Our target application is inferring the field of soil permeability processing observations of pore pressure, using a nonlinear PDE poromechanics model for predicting pressure from permeability. We compare the performance of different sampling approaches in this and other settings. We also investigate the effect of dimensionality and non-gaussianity of distributions on the performance of different sampling methods.

    

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5. Neural networks enable efficient and accurate simulation-based inference of evolutionary parameters from adaptation dynamics

   https://doi.org/10.1371/journal.pbio.3001633  

   Avecilla, Grace ; Chuong, Julie N. ; Li, Fangfei ; Sherlock, Gavin ; Gresham, David ; Ram, Yoav ( May 2022 , PLOS Biology)

   de Visser, J. Arjan (Ed.)

   The rate of adaptive evolution depends on the rate at which beneficial mutations are introduced into a population and the fitness effects of those mutations. The rate of beneficial mutations and their expected fitness effects is often difficult to empirically quantify. As these 2 parameters determine the pace of evolutionary change in a population, the dynamics of adaptive evolution may enable inference of their values. Copy number variants (CNVs) are a pervasive source of heritable variation that can facilitate rapid adaptive evolution. Previously, we developed a locus-specific fluorescent CNV reporter to quantify CNV dynamics in evolving populations maintained in nutrient-limiting conditions using chemostats. Here, we use CNV adaptation dynamics to estimate the rate at which beneficial CNVs are introduced through de novo mutation and their fitness effects using simulation-based likelihood–free inference approaches. We tested the suitability of 2 evolutionary models: a standard Wright–Fisher model and a chemostat model. We evaluated 2 likelihood-free inference algorithms: the well-established Approximate Bayesian Computation with Sequential Monte Carlo (ABC-SMC) algorithm, and the recently developed Neural Posterior Estimation (NPE) algorithm, which applies an artificial neural network to directly estimate the posterior distribution. By systematically evaluating the suitability of different inference methods and models, we show that NPE has several advantages over ABC-SMC and that a Wright–Fisher evolutionary model suffices in most cases. Using our validated inference framework, we estimate the CNV formation rate at the GAP1 locus in the yeast Saccharomyces cerevisiae to be 10 −4.7 to 10 −4 CNVs per cell division and a fitness coefficient of 0.04 to 0.1 per generation for GAP1 CNVs in glutamine-limited chemostats. We experimentally validated our inference-based estimates using 2 distinct experimental methods—barcode lineage tracking and pairwise fitness assays—which provide independent confirmation of the accuracy of our approach. Our results are consistent with a beneficial CNV supply rate that is 10-fold greater than the estimated rates of beneficial single-nucleotide mutations, explaining the outsized importance of CNVs in rapid adaptive evolution. More generally, our study demonstrates the utility of novel neural network–based likelihood–free inference methods for inferring the rates and effects of evolutionary processes from empirical data with possible applications ranging from tumor to viral evolution. 

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