arXiv subjects

Hongqiao Wang

Publications and source records attributed to Hongqiao Wang.

17 recordsLinked to original sources

arXiv2026

Physen-Noise2Noise: Physics-Guided Self-Supervised Defocus Deblurring with Bias Correction under Low-Light Conditions

Low-light, long-exposure defocus deblurring remains a challenging problem due to the simultaneous presence of severe blur and complex biased noise. Existing methods typically rely on simplified noise assumptions, which limits their effectiveness under realistic imaging conditions. In this work, we propose Physen-Noise2Noise, a self-supervised deblurring framework guided by the physical model of defocus imaging, which leverages noisy multi-frame observations without requiring clean reference images. Unlike conventional Noise2Noise-based approaches that assume zero-mean noise, we derive a frequency-domain constraint inherent to the defocus imaging process and incorporate it into the learning framework via a learnable noise bias parameter. In addition, a multi-frame noisy initialization strategy is introduced to suppress complex biased noise prior to deblurring, providing a more stable starting point for reconstruction. This formulation explicitly models biased noise and enables joint bias correction and high-frequency detail recovery during training. Furthermore, we develop a pretrain-finetune variant to enhance robustness and generalization under challenging noise conditions. Extensive experiments on both simulation and real-world datasets demonstrate that the proposed method consistently outperforms state-of-the-art self-supervised approaches for defocus deblurring in the presence of complex biased noise.

cs.CV↗

arXiv2026

Gaussian process surrogate with physical law-corrected prior for multi-coupled PDEs defined on irregular geometry

Parametric partial differential equations (PDEs) serve as fundamental mathematical tools for modeling complex physical phenomena, yet repeated high-fidelity numerical simulations across parameter spaces remain computationally prohibitive. In this work, we propose a physical law-corrected prior Gaussian process (LC-prior GP) for efficient surrogate modeling of parametric PDEs. The proposed method employs proper orthogonal decomposition (POD) to represent high-dimensional discrete solutions in a low-dimensional modal coefficient space, significantly reducing the computational cost of kernel optimization compared with standard GP approaches in full-order spaces. The governing physical laws are further incorporated to construct a law-corrected prior to overcome the limitation of existing physics-informed GP methods that rely on linear operator invariance, which enables applications to nonlinear and multi-coupled PDE systems without kernel redesign. Furthermore, the radial basis function-finite difference (RBF-FD) method is adopted for generating training data, allowing flexible handling of irregular spatial domains. The resulting differentiation matrices are independent of solution fields, enabling efficient optimization in the physical correction stage without repeated assembly. The proposed framework is validated through extensive numerical experiments, including nonlinear multi-parameter systems and scenarios involving multi-coupled physical variables defined on different two-dimensional irregular domains to highlight the accuracy and efficiency compared with baseline approaches.

stat.ML↗

arXiv2025

Gaussian Process Regression for Uncertainty Quantification: An Introductory Tutorial

Uncertainty Quantification (UQ) is essential for the reliable application of computational models in engineering and science. Among surrogate modeling techniques, Gaussian Process Regression (GPR) is particularly valuable for its non-parametric flexibility and inherent probabilistic output. This paper presents an introductory review of GPR-based methodologies within the context of UQ. We begin with an introduction to UQ and outline its key tasks, including uncertainty propagation, risk estimation, optimization under uncertainty, parameter estimation, and sensitivity analysis. We then introduce Gaussian Processes as a surrogate modeling technique, detailing their formulation, choice of covariance kernels, hyperparameter estimation, and active learning strategies for efficient data acquisition. The tutorial further explores how GPR can be applied to different UQ tasks, including Bayesian quadrature for uncertainty propagation, active learning-based risk estimation, Bayesian optimization for optimization under uncertainty, and surrogate-based sensitivity analysis. Throughout, we emphasize how to leverage the unique formulation of GP for these UQ tasks, rather than simply using it as a standard surrogate model. This work offers a comprehensive guide and unified framework for researchers seeking to rigorously apply probabilistic modeling to complex computational systems.

stat.CO↗

arXiv2025

Sequential Bayesian Design for Efficient Surrogate Construction in the Inversion of Darcy Flows

Inverse problems governed by partial differential equations (PDEs) play a crucial role in various fields, including computational science, image processing, and engineering. Particularly, Darcy flow equation is a fundamental equation in fluid mechanics, which plays a crucial role in understanding fluid flow through porous media. Bayesian methods provide an effective approach for solving PDEs inverse problems, while their numerical implementation requires numerous evaluations of computationally expensive forward solvers. Therefore, the adoption of surrogate models with lower computational costs is essential. However, constructing a globally accurate surrogate model for high-dimensional complex problems demands high model capacity and large amounts of data. To address this challenge, this study proposes an efficient locally accurate surrogate that focuses on the high-probability regions of the true likelihood in inverse problems, with relatively low model complexity and few training data requirements. Additionally, we introduce a sequential Bayesian design strategy to acquire the proposed surrogate since the high-probability region of the likelihood is unknown. The strategy treats the posterior evolution process of sequential Bayesian design as a Gaussian process, enabling algorithmic acceleration through one-step ahead prior. The complete algorithmic framework is referred to as Sequential Bayesian design for locally accurate surrogate (SBD-LAS). Finally, three experiments based the Darcy flow equation demonstrate the advantages of the proposed method in terms of both inversion accuracy and computational speed.

stat.ML↗

arXiv2025

Accelerated Bayesian Optimal Experimental Design via Conditional Density Estimation and Informative Data

The Design of Experiments (DOEs) is a fundamental scientific methodology that provides researchers with systematic principles and techniques to enhance the validity, reliability, and efficiency of experimental outcomes. In this study, we explore optimal experimental design within a Bayesian framework, utilizing Bayes' theorem to reformulate the utility expectation--originally expressed as a nested double integral--into an independent double integral form, significantly improving numerical efficiency. To further accelerate the computation of the proposed utility expectation, conditional density estimation is employed to approximate the ratio of two Gaussian random fields, while covariance serves as a selection criterion to identify informative datasets during model fitting and integral evaluation. In scenarios characterized by low simulation efficiency and high costs of raw data acquisition, key challenges such as surrogate modeling, failure probability estimation, and parameter inference are systematically restructured within the Bayesian experimental design framework. The effectiveness of the proposed methodology is validated through both theoretical analysis and practical applications, demonstrating its potential for enhancing experimental efficiency and decision-making under uncertainty.

stat.ML↗

arXiv2024

Anderson Accelerated Gauss-Newton-guided deep learning for nonlinear inverse problems with Application to Electrical Impedance Tomography

Physics-guided deep learning is an important prevalent research topic in scientific machine learning, which has tremendous potential in various complex applications including science and engineering. In these applications, data is expensive to acquire and high accuracy is required for making decisions. In this work, we introduce an efficient physics-guided deep learning framework for the variational modeling of nonlinear inverse problems, which is then applied to solve an electrical impedance tomography (EIT) inverse problem. The framework is achieved by unrolling the proposed Anderson accelerated Gauss-Newton (GNAA) algorithm into an end-to-end deep learning method. Firstly, we show the convergence of the GNAA algorithm in both cases: Anderson depth is equal to one and Anderson depth is greater than one. Then, we propose three types of strategies by combining the complementary strengths of GNAA and deep learning: GNAA of learned regularization (GNAA-LRNet), where the singular values of the regularization matrix are learned by a deep neural network; GNAA of learned proximity (GNAA-LPNet), where the regularization proximal operator is learned by using a deep neural network; GNAA of plug-and-play method (GNAA-PnPNet) where the regularization proximal operator is replaced by a pre-trained deep denoisers. Lastly, we present some numerical experiments to illustrate that the proposed approaches greatly improve the convergence rate and the quality of inverse solutions.

math.NA↗

arXiv2024

Model-Embedded Gaussian Process Regression for Parameter Estimation in Dynamical System

Identifying dynamical system (DS) is a vital task in science and engineering. Traditional methods require numerous calls to the DS solver, rendering likelihood-based or least-squares inference frameworks impractical. For efficient parameter inference, two state-of-the-art techniques are the kernel method for modeling and the "one-step framework" for jointly inferring unknown parameters and hyperparameters. The kernel method is a quick and straightforward technique, but it cannot estimate solutions and their derivatives, which must strictly adhere to physical laws. We propose a model-embedded "one-step" Bayesian framework for joint inference of unknown parameters and hyperparameters by maximizing the marginal likelihood. This approach models the solution and its derivatives using Gaussian process regression (GPR), taking into account smoothness and continuity properties, and treats differential equations as constraints that can be naturally integrated into the Bayesian framework in the linear case. Additionally, we prove the convergence of the model-embedded Gaussian process regression (ME-GPR) for theoretical development. Motivated by Taylor expansion, we introduce a piecewise first-order linearization strategy to handle nonlinear dynamic systems. We derive estimates and confidence intervals, demonstrating that they exhibit low bias and good coverage properties for both simulated models and real data.

stat.CO↗

arXiv2024

Accurate adaptive deep learning method for solving elliptic problems

Deep learning method is of great importance in solving partial differential equations. In this paper, inspired by the failure-informed idea proposed by Gao et.al. (SIAM Journal on Scientific Computing 45(4)(2023)) and as an improvement, a new accurate adaptive deep learning method is proposed for solving elliptic problems, including the interface problems and the convection-dominated problems. Based on the failure probability framework, the piece-wise uniform distribution is used to approximate the optimal proposal distribution and an kernel-based method is proposed for efficient sampling. Together with the improved Levenberg-Marquardt optimization method, the proposed adaptive deep learning method shows great potential in improving solution accuracy. Numerical tests on the elliptic problems without interface conditions, on the elliptic interface problem, and on the convection-dominated problems demonstrate the effectiveness of the proposed method, as it reduces the relative errors by a factor varying from $10^2$ to $10^4$ for different cases.

math.NA↗

arXiv2024

Simulation-based transition density approximation for the inference of SDE models

Stochastic Differential Equations (SDEs) serve as a powerful modeling tool in various scientific domains, including systems science, engineering, and ecological science. While the specific form of SDEs is typically known for a given problem, certain model parameters remain unknown. Efficiently inferring these unknown parameters based on observations of the state in discrete time series represents a vital practical subject. The challenge arises in nonlinear SDEs, where maximum likelihood estimation of parameters is generally unfeasible due to the absence of closed-form expressions for transition and stationary probability density functions of the states. In response to this limitation, we propose a novel two-step parameter inference mechanism. This approach involves a global-search phase followed by a local-refining procedure. The global-search phase is dedicated to identifying the domain of high-value likelihood functions, while the local-refining procedure is specifically designed to enhance the surrogate likelihood within this localized domain. Additionally, we present two simulation-based approximations for the transition density, aiming to efficiently or accurately approximate the likelihood function. Numerical examples illustrate the efficacy of our proposed methodology in achieving posterior parameter estimation.

stat.ME↗

arXiv2023

Adaptive design of experiment via normalizing flows for failure probability estimation

Failure probability estimation problem is an crucial task in engineering. In this work we consider this problem in the situation that the underlying computer models are extremely expensive, which often arises in the practice, and in this setting, reducing the calls of computer model is of essential importance. We formulate the problem of estimating the failure probability with expensive computer models as an sequential experimental design for the limit state (i.e., the failure boundary) and propose a series of efficient adaptive design criteria to solve the design of experiment (DOE). In particular, the proposed method employs the deep neural network (DNN) as the surrogate of limit state function for efficiently reducing the calls of expensive computer experiment. A map from the Gaussian distribution to the posterior approximation of the limit state is learned by the normalizing flows for the ease of experimental design. Three normalizing-flows-based design criteria are proposed in this work for deciding the design locations based on the different assumption of generalization error. The accuracy and performance of the proposed method is demonstrated by both theory and practical examples.

stat.ME↗

arXiv2022

Active Learning for Saddle Point Calculation

The saddle point (SP) calculation is a grand challenge for computationally intensive energy function in computational chemistry area, where the saddle point may represent the transition state (TS). The traditional methods need to evaluate the gradients of the energy function at a very large number of locations. To reduce the number of expensive computations of the true gradients, we propose an active learning framework consisting of a statistical surrogate model, Gaussian process regression (GPR) for the energy function, and a single-walker dynamics method, gentle accent dynamics (GAD), for the saddle-type transition states. SP is detected by the GAD applied to the GPR surrogate for the gradient vector and the Hessian matrix. Our key ingredient for efficiency improvements is an active learning method which sequentially designs the most informative locations and takes evaluations of the original model at these locations to train GPR. We formulate this active learning task as the optimal experimental design problem and propose a very efficient sample-based sub-optimal criterion to construct the optimal locations. We show that the new method significantly decreases the required number of energy or force evaluations of the original model.

stat.ML↗

arXiv2021

Inverse Gaussian Process regression for likelihood-free inference

In this work we consider Bayesian inference problems with intractable likelihood functions. We present a method to compute an approximate of the posterior with a limited number of model simulations. The method features an inverse Gaussian Process regression (IGPR), i.e., one from the output of a simulation model to the input of it. Within the method, we provide an adaptive algorithm with a tempering procedure to construct the approximations of the marginal posterior distributions. With examples we demonstrate that IGPR has a competitive performance compared to some commonly used algorithms, especially in terms of statistical stability and computational efficiency, while the price to pay is that it can only compute a weighted Gaussian approximation of the marginal posteriors.

stat.CO↗

arXiv2020

Inferring the unknown parameters in Differential Equation by Gaussian Process Regression with Constraint

Differential Equation (DE) is a commonly used modeling method in various scientific subjects such as finance and biology. The parameters in DE models often have interesting scientific interpretations, but their values are often unknown and need to be estimated from the measurements of the DE. In this work, we propose a Bayesian inference framework to solve the problem of estimating the parameters of the DE model, from the given noisy and scarce observations of the solution only. A key issue in this problem is to robustly estimate the derivatives of a function from noisy observations of only the function values at given location points, under the assumption of a physical model in the form of differential equation governing the function and its derivatives. To address the key issue, we use the Gaussian Process Regression with Constraint (GPRC) method which jointly model the solution, the derivatives, and the parametric differential equation, to estimate the solution and its derivatives. For nonlinear differential equations, a Picard-iteration-like approximation of linearization method is used so that the GPRC can be still iteratively applicable. A new potential which combines the data and equation information, is proposed and used in the likelihood for our inference. With numerical examples, we illustrate that the proposed method has competitive performance against existing approaches for estimating the unknown parameters in DEs.

stat.CO↗

arXiv2020

Explicit Estimation of Derivatives from Data and Differential Equations by Gaussian Process Regression

In this work, we employ the Bayesian inference framework to solve the problem of estimating the solution and particularly, its derivatives, which satisfy a known differential equation, from the given noisy and scarce observations of the solution data only. To address the key issue of accuracy and robustness of derivative estimation, we use the Gaussian processes to jointly model the solution, the derivatives, and the differential equation. By regarding the linear differential equation as a linear constraint, a Gaussian process regression with constraint method (GPRC) is developed to improve the accuracy of prediction of derivatives. For nonlinear differential equations, we propose a Picard-iteration-like approximation of linearization around the Gaussian process obtained only from data so that our GPRC can be still iteratively applicable. Besides, a product of experts method is applied to ensure the initial or boundary condition is considered to further enhance the prediction accuracy of the derivatives. We present several numerical results to illustrate the advantages of our new method in comparison to the standard data-driven Gaussian process regression.

stat.CO↗

arXiv2020

Maximum conditional entropy Hamiltonian Monte Carlo sampler

The performance of Hamiltonian Monte Carlo (HMC) sampler depends critically on some algorithm parameters such as the total integration time and the numerical integration stepsize. The parameter tuning is particularly challenging when the mass matrix of the HMC sampler is adapted. We propose in this work a Kolmogorov-Sinai entropy (KSE) based design criterion to optimize these algorithm parameters, which can avoid some potential issues in the often used jumping-distance based measures. For near-Gaussian distributions, we are able to derive the optimal algorithm parameters with respect to the KSE criterion analytically. As a byproduct the KSE criterion also provides a theoretical justification for the need to adapt the mass matrix in HMC sampler. Based on the results, we propose an adaptive HMC algorithm, and we then demonstrate the performance of the proposed algorithm with numerical examples.

stat.CO↗

arXiv2018

Adaptive Gaussian process approximation for Bayesian inference with expensive likelihood functions

We consider Bayesian inference problems with computationally intensive likelihood functions. We propose a Gaussian process (GP) based method to approximate the joint distribution of the unknown parameters and the data. In particular, we write the joint density approximately as a product of an approximate posterior density and an exponentiated GP surrogate. We then provide an adaptive algorithm to construct such an approximation, where an active learning method is used to choose the design points. With numerical examples, we illustrate that the proposed method has competitive performance against existing approaches for Bayesian computation.

stat.CO↗

arXiv2015

Gaussian process surrogates for failure detection: a Bayesian experimental design approach

An important task of uncertainty quantification is to identify {the probability of} undesired events, in particular, system failures, caused by various sources of uncertainties. In this work we consider the construction of Gaussian {process} surrogates for failure detection and failure probability estimation. In particular, we consider the situation that the underlying computer models are extremely expensive, and in this setting, determining the sampling points in the state space is of essential importance. We formulate the problem as an optimal experimental design for Bayesian inferences of the limit state (i.e., the failure boundary) and propose an efficient numerical scheme to solve the resulting optimization problem. In particular, the proposed limit-state inference method is capable of determining multiple sampling points at a time, and thus it is well suited for problems where multiple computer simulations can be performed in parallel. The accuracy and performance of the proposed method is demonstrated by both academic and practical examples.

stat.CO↗