arXiv subjects

Qifeng Liao

Publications and source records attributed to Qifeng Liao.

At least 19 recordsLinked to original sources

arXiv2025

Adaptive Probability Flow Residual Minimization for High-Dimensional Fokker-Planck Equations

Solving high-dimensional Fokker-Planck (FP) equations remains a challenging problem in computational physics and stochastic dynamics, due to the curse of dimensionality, unbounded domains, and complex probability landscapes. In this work, we propose an adaptive probability flow residual minimization (A-PFRM) method for this problem. The second-order FP equation is reformulated as an equivalent first-order continuity equation associated with the probability flow ordinary differential equation, based on which a loss function is constructed to train neural network approximations without Hessian computation. To further improve the computational efficiency, the Hutchinson trace estimator is applied to compute the divergence in the corresponding score function, such that the training time can be dimension-independent on GPUs. Adaptive sampling strategies are employed to generate the collocation points, and our analysis shows that the Kullback-Leibler divergence between our A-PFRM approximation and the exact solution is bounded by the residual loss weighted by the estimated density function. Numerical experiments are presented to demonstrate the performance of A-PFRM, which include Ornstein-Uhlenbeck (OU) processes problems, Brownian motions with time-varying diffusion, and Geometric OU processes featuring non-Gaussian solutions up to one hundred dimensions.

physics.comp-ph↗

arXiv2025

An adaptive adjoint-oriented neural network for solving parametric optimal control problems with singularities

In this work, we present an adaptive adjoint-oriented neural network (adaptive AONN) for solving parametric optimal control problems governed by partial differential equations. The proposed method integrates deep adaptive sampling techniques with the adjoint-oriented neural network (AONN) framework. It alleviates the limitations of AONN in handling low-regularity solutions and enhances the generalizability of deep adaptive sampling for surrogate modeling without labeled data ($\text{DAS}^2$). The effectiveness of the adaptive AONN is demonstrated through numerical examples involving singularities.

math.OC↗

arXiv2025

An alternating low-rank projection approach for partial differential equations with random inputs

It is known that standard stochastic Galerkin methods face challenges when solving partial differential equations (PDEs) with random inputs. These challenges are typically attributed to the large number of required physical basis functions and stochastic basis functions. Therefore, it becomes crucial to select effective basis functions to properly reduce the dimensionality of both the physical and stochastic approximation spaces. In this study, our focus is on the stochastic Galerkin approximation associated with generalized polynomial chaos (gPC). We delve into the low-rank approximation of the quasimatrix, whose columns represent the coefficients in the gPC expansions of the solution. We conduct an investigation into the singular value decomposition (SVD) of this quasimatrix, proposing a strategy to identify the rank required for a desired accuracy. Subsequently, we introduce both a simultaneous low-rank projection approach and an alternating low-rank projection approach to compute the low-rank approximation of the solution for PDEs with random inputs. Numerical results demonstrate the efficiency of our proposed methods for both diffusion and Helmholtz problems.

math.NA↗

arXiv2024

A conditional normalizing flow for domain decomposed uncertainty quantification

In this paper we present a conditional KRnet (cKRnet) based domain decomposed uncertainty quantification (CKR-DDUQ) approach to propagate uncertainties across different physical domains in models governed by partial differential equations (PDEs) with random inputs. This approach is based on the domain decomposed uncertainty quantification (DDUQ) method presented in [Q. Liao and K. Willcox, SIAM J. Sci. Comput., 37 (2015), pp. A103--A133], which suffers a bottleneck of density estimation for local joint input distributions in practice. In this work, we reformulate the required joint distributions as conditional distributions, and propose a new conditional normalizing flow model, called cKRnet, to efficiently estimate the conditional probability density functions. We present the general framework of CKR-DDUQ, conduct its convergence analysis, validate its accuracy and demonstrate its efficiency with numerical experiments.

math.NA↗

arXiv2024

An ILUES-based adaptive Gaussian process method for multimodal Bayesian inverse problems

Inverse problems are prevalent in both scientific research and engineering applications. In the context of Bayesian inverse problems, sampling from the posterior distribution can be particularly challenging when the forward models are computationally expensive. This challenge is further compounded when the posterior distribution is multimodal. To address this issue, we propose a Gaussian process (GP)-based method to indirectly build surrogates for the forward model. Specifically, the unnormalized posterior density is expressed as a product of an auxiliary density and an exponential GP surrogate. Iteratively, the auxiliary density converges to the posterior distribution, starting from an arbitrary initial density. However, the efficiency of GP regression is highly influenced by the quality of the training data. Therefore, we utilize the iterative local updating ensemble smoother (ILUES) to generate high-quality samples that are concentrated in regions with high posterior probability. Subsequently, based on the surrogate model and mode information extracted using a clustering method, Markov chain Monte Carlo (MCMC) with a Gaussian mixed (GM) proposal is used to draw samples from the auxiliary density. Through numerical examples, we demonstrate that the proposed method can accurately and efficiently represent the posterior with a limited number of forward simulations.

stat.CO↗

arXiv2024

Adaptive deep density approximation for stochastic dynamical systems

In this paper we consider adaptive deep neural network approximation for stochastic dynamical systems. Based on the Liouville equation associated with the stochastic dynamical systems, a new temporal KRnet (tKRnet) is proposed to approximate the probability density functions (PDFs) of the state variables. The tKRnet gives an explicit density model for the solution of the Liouville equation, which alleviates the curse of dimensionality issue that limits the application of traditional grid based numerical methods. To efficiently train the tKRnet, an adaptive procedure is developed to generate collocation points for the corresponding residual loss function, where samples are generated iteratively using the approximate density function at each iteration. A temporal decomposition technique is also employed to improve the long-time integration. Theoretical analysis of our proposed method is provided, and numerical examples are presented to demonstrate its performance.

math.NA↗

arXiv2024

Streaming data recovery via Bayesian tensor train decomposition

In this paper, we study a Bayesian tensor train (TT) decomposition method to recover streaming data by approximating the latent structure in high-order streaming data. Drawing on the streaming variational Bayes method, we introduce the TT format into Bayesian tensor decomposition methods for streaming data, and formulate posteriors of TT cores. Thanks to the Bayesian framework of the TT format, the proposed algorithm (SPTT) excels in recovering streaming data with high-order, incomplete, and noisy properties. The experiments in synthetic and real-world datasets show the accuracy of our method compared to state-of-the-art Bayesian tensor decomposition methods for streaming data.

cs.LG↗

arXiv2024

An adaptive ANOVA stochastic Galerkin method for partial differential equations with high-dimensional random inputs

It is known that standard stochastic Galerkin methods encounter challenges when solving partial differential equations with high-dimensional random inputs, which are typically caused by the large number of stochastic basis functions required. It becomes crucial to properly choose effective basis functions, such that the dimension of the stochastic approximation space can be reduced. In this work, we focus on the stochastic Galerkin approximation associated with generalized polynomial chaos (gPC), and explore the gPC expansion based on the analysis of variance (ANOVA) decomposition. A concise form of the gPC expansion is presented for each component function of the ANOVA expansion, and an adaptive ANOVA procedure is proposed to construct the overall stochastic Galerkin system. Numerical results demonstrate the efficiency of our proposed adaptive ANOVA stochastic Galerkin method for both diffusion and Helmholtz problems.

math.NA↗

arXiv2023

Reduced basis stochastic Galerkin methods for partial differential equations with random inputs

We present a reduced basis stochastic Galerkin method for partial differential equations with random inputs. In this method, the reduced basis methodology is integrated into the stochastic Galerkin method, resulting in a significant reduction in the cost of solving the Galerkin system. To reduce the main cost of matrix-vector manipulation involved in our reduced basis stochastic Galerkin approach, the secant method is applied to identify the number of reduced basis functions. We present a general mathematical framework of the methodology, validate its accuracy and demonstrate its efficiency with numerical experiments.

math.NA↗

arXiv2023

Dimension-reduced KRnet maps for high-dimensional Bayesian inverse problems

We present a dimension-reduced KRnet map approach (DR-KRnet) for high-dimensional Bayesian inverse problems, which is based on an explicit construction of a map that pushes forward the prior measure to the posterior measure in the latent space. Our approach consists of two main components: data-driven VAE prior and density approximation of the posterior of the latent variable. In reality, it may not be trivial to initialize a prior distribution that is consistent with available prior data; in other words, the complex prior information is often beyond simple hand-crafted priors. We employ variational autoencoder (VAE) to approximate the underlying distribution of the prior dataset, which is achieved through a latent variable and a decoder. Using the decoder provided by the VAE prior, we reformulate the problem in a low-dimensional latent space. In particular, we seek an invertible transport map given by KRnet to approximate the posterior distribution of the latent variable. Moreover, an efficient physics-constrained surrogate model without any labeled data is constructed to reduce the computational cost of solving both forward and adjoint problems involved in likelihood computation. With numerical experiments, we demonstrate the accuracy and efficiency of DR-KRnet for high-dimensional Bayesian inverse problems.

stat.ML↗

arXiv2023

VI-DGP: A variational inference method with deep generative prior for solving high-dimensional inverse problems

Solving high-dimensional Bayesian inverse problems (BIPs) with the variational inference (VI) method is promising but still challenging. The main difficulties arise from two aspects. First, VI methods approximate the posterior distribution using a simple and analytic variational distribution, which makes it difficult to estimate complex spatially-varying parameters in practice. Second, VI methods typically rely on gradient-based optimization, which can be computationally expensive or intractable when applied to BIPs involving partial differential equations (PDEs). To address these challenges, we propose a novel approximation method for estimating the high-dimensional posterior distribution. This approach leverages a deep generative model to learn a prior model capable of generating spatially-varying parameters. This enables posterior approximation over the latent variable instead of the complex parameters, thus improving estimation accuracy. Moreover, to accelerate gradient computation, we employ a differentiable physics-constrained surrogate model to replace the adjoint method. The proposed method can be fully implemented in an automatic differentiation manner. Numerical examples demonstrate two types of log-permeability estimation for flow in heterogeneous media. The results show the validity, accuracy, and high efficiency of the proposed method.

math.NA↗

arXiv2023

A domain-decomposed VAE method for Bayesian inverse problems

Bayesian inverse problems are often computationally challenging when the forward model is governed by complex partial differential equations (PDEs). This is typically caused by expensive forward model evaluations and high-dimensional parameterization of priors. This paper proposes a domain-decomposed variational auto-encoder Markov chain Monte Carlo (DD-VAE-MCMC) method to tackle these challenges simultaneously. Through partitioning the global physical domain into small subdomains, the proposed method first constructs local deterministic generative models based on local historical data, which provide efficient local prior representations. Gaussian process models with active learning address the domain decomposition interface conditions. Then inversions are conducted on each subdomain independently in parallel and in low-dimensional latent parameter spaces. The local inference solutions are post-processed through the Poisson image blending procedure to result in an efficient global inference result. Numerical examples are provided to demonstrate the performance of the proposed method.

stat.ML↗

arXiv2022

Domain-decomposed Bayesian inversion based on local Karhunen-Loève expansions

In many Bayesian inverse problems the goal is to recover a spatially varying random field. Such problems are often computationally challenging especially when the forward model is governed by complex partial differential equations (PDEs). The challenge is particularly severe when the spatial domain is large and the unknown random field needs to be represented by a high-dimensional parameter. In this paper, we present a domain-decomposed method to attack the dimensionality issue and the method decomposes the spatial domain and the parameter domain simultaneously. On each subdomain, a local Karhunen-Lo`eve (KL) expansion is constructed, and a local inversion problem is solved independently in a parallel manner, and more importantly, in a lower-dimensional space. After local posterior samples are generated through conducting Markov chain Monte Carlo (MCMC) simulations on subdomains, a novel projection procedure is developed to effectively reconstruct the global field. In addition, the domain decomposition interface conditions are dealt with an adaptive Gaussian process-based fitting strategy. Numerical examples are provided to demonstrate the performance of the proposed method.

math.NA↗

arXiv2022

Deep neural network based adaptive learning for switched systems

In this paper, we present a deep neural network based adaptive learning (DNN-AL) approach for switched systems. Currently, deep neural network based methods are actively developed for learning governing equations in unknown dynamic systems, but their efficiency can degenerate for switching systems, where structural changes exist at discrete time instants. In this new DNN-AL strategy, observed datasets are adaptively decomposed into subsets, such that no structural changes within each subset. During the adaptive procedures, DNNs are hierarchically constructed, and unknown switching time instants are gradually identified. Especially, network parameters at previous iteration steps are reused to initialize networks for the later iteration steps, which gives efficient training procedures for the DNNs. For the DNNs obtained through our DNN-AL, bounds of the prediction error are established. Numerical studies are conducted to demonstrate the efficiency of DNN-AL.

cs.LG↗

arXiv2022

A deep domain decomposition method based on Fourier features

In this paper we present a Fourier feature based deep domain decomposition method (F-D3M) for partial differential equations (PDEs). Currently, deep neural network based methods are actively developed for solving PDEs, but their efficiency can degenerate for problems with high frequency modes. In this new F-D3M strategy, overlapping domain decomposition is conducted for the spatial domain, such that high frequency modes can be reduced to relatively low frequency ones. In each local subdomain, multi Fourier feature networks (MFFNets) are constructed, where efficient boundary and interface treatments are applied for the corresponding loss functions. We present a general mathematical framework of F-D3M, validate its accuracy and demonstrate its efficiency with numerical experiments.

math.NA↗

arXiv2021

Adaptive deep density approximation for Fokker-Planck equations

In this paper we present an adaptive deep density approximation strategy based on KRnet (ADDA-KR) for solving the steady-state Fokker-Planck (F-P) equations. F-P equations are usually high-dimensional and defined on an unbounded domain, which limits the application of traditional grid based numerical methods. With the Knothe-Rosenblatt rearrangement, our newly proposed flow-based generative model, called KRnet, provides a family of probability density functions to serve as effective solution candidates for the Fokker-Planck equations, which has a weaker dependence on dimensionality than traditional computational approaches and can efficiently estimate general high-dimensional density functions. To obtain effective stochastic collocation points for the approximation of the F-P equation, we develop an adaptive sampling procedure, where samples are generated iteratively using the approximate density function at each iteration. We present a general framework of ADDA-KR, validate its accuracy and demonstrate its efficiency with numerical experiments.

stat.ML↗

arXiv2021

Tensor Train Random Projection

This work proposes a novel tensor train random projection (TTRP) method for dimension reduction, where pairwise distances can be approximately preserved. Our TTRP is systematically constructed through a tensor train (TT) representation with TT-ranks equal to one. Based on the tensor train format, this new random projection method can speed up the dimension reduction procedure for high-dimensional datasets and requires less storage costs with little loss in accuracy, compared with existing methods. We provide a theoretical analysis of the bias and the variance of TTRP, which shows that this approach is an expected isometric projection with bounded variance, and we show that the Rademacher distribution is an optimal choice for generating the corresponding TT-cores. Detailed numerical experiments with synthetic datasets and the MNIST dataset are conducted to demonstrate the efficiency of TTRP.

stat.ML↗

arXiv2019

ANOVA Gaussian process modeling for high-dimensional stochastic computational models

In this paper we present a novel analysis of variance Gaussian process (ANOVA-GP) emulator for models governed by partial differential equations (PDEs) with high-dimensional random inputs. Gaussian process (GP) is a widely used surrogate modeling strategy, but it can become invalid when the inputs are high-dimensional. In this new ANOVA-GP strategy, high-dimensional inputs are decomposed into unions of local low-dimensional inputs, and principal component analysis (PCA) is applied to provide dimension reduction for each ANOVA term. We then systematically build local GP models for PCA coefficients based on ANOVA decomposition to provide an emulator for the overall high-dimensional problem. We present a general mathematical framework of ANOVA-GP, validate its accuracy and demonstrate its efficiency with numerical experiments.

cs.CE↗