We introduce a new class of spatially stochastic physics and data informed deep latent models for parametric partial differential equations (PDEs) which operate through scalable variational neural processes. We achieve this by assigning probability measures to the spatial domain, which allows us to treat collocation grids probabilistically as random variables to be marginalised out. Adapting this spatial statistics view, we solve forward and inverse problems for parametric PDEs in a way that leads to the construction of Gaussian process models of solution fields. The implementation of these random grids poses a unique set of challenges for inverse physics informed deep learning frameworks and we propose a new architecture called Grid Invariant Convolutional Networks (GICNets) to overcome these challenges. We further show how to incorporate noisy data in a principled manner into our physics informed model to improve predictions for problems where data may be available but whose measurement location does not coincide with any fixed mesh or grid. The proposed method is tested on a nonlinear Poisson problem, Burgers equation, and Navier-Stokes equations, and we provide extensive numerical comparisons. We demonstrate significant computational advantages over current physics informed neural learning methods for parametric PDEs while improving the predictive capabilities and flexibility of these models.
相關內容
We consider parametrized linear-quadratic optimal control problems and provide their online-efficient solutions by combining greedy reduced basis methods and machine learning algorithms. To this end, we first extend the greedy control algorithm, which builds a reduced basis for the manifold of optimal final time adjoint states, to the setting where the objective functional consists of a penalty term measuring the deviation from a desired state and a term describing the control energy. Afterwards, we apply machine learning surrogates to accelerate the online evaluation of the reduced model. The error estimates proven for the greedy procedure are further transferred to the machine learning models and thus allow for efficient a posteriori error certification. We discuss the computational costs of all considered methods in detail and show by means of two numerical examples the tremendous potential of the proposed methodology.
In this paper, we propose a method for estimating model parameters using Small-Angle Scattering (SAS) data based on the Bayesian inference. Conventional SAS data analyses involve processes of manual parameter adjustment by analysts or optimization using gradient methods. These analysis processes tend to involve heuristic approaches and may lead to local solutions.Furthermore, it is difficult to evaluate the reliability of the results obtained by conventional analysis methods. Our method solves these problems by estimating model parameters as probability distributions from SAS data using the framework of the Bayesian inference. We evaluate the performance of our method through numerical experiments using artificial data of representative measurement target models.From the results of the numerical experiments, we show that our method provides not only high accuracy and reliability of estimation, but also perspectives on the transition point of estimability with respect to the measurement time and the lower bound of the angular domain of the measured data.
In this work, we study the convergence and performance of nonlinear solvers for the Bidomain equations after decoupling the ordinary and partial differential equations of the cardiac system. Firstly, we provide a rigorous proof of the global convergence of Quasi-Newton methods, such as BFGS, and nonlinear Conjugate-Gradient methods, such as Fletcher--Reeves, for the Bidomain system, by analyzing an auxiliary variational problem under physically reasonable hypotheses. Secondly, we compare several nonlinear Bidomain solvers in terms of execution time, robustness with respect to the data and parallel scalability. Our findings indicate that Quasi-Newton methods are the best choice for nonlinear Bidomain systems, since they exhibit faster convergence rates compared to standard Newton-Krylov methods, while maintaining robustness and scalability. Furthermore, first-order methods also demonstrate competitiveness and serve as a viable alternative, particularly for matrix-free implementations that are well-suited for GPU computing.
Monte Carlo methods represent a cornerstone of computer science. They allow to sample high dimensional distribution functions in an efficient way. In this paper we consider the extension of Automatic Differentiation (AD) techniques to Monte Carlo process, addressing the problem of obtaining derivatives (and in general, the Taylor series) of expectation values. Borrowing ideas from the lattice field theory community, we examine two approaches. One is based on reweighting while the other represents an extension of the Hamiltonian approach typically used by the Hybrid Monte Carlo (HMC) and similar algorithms. We show that the Hamiltonian approach can be understood as a change of variables of the reweighting approach, resulting in much reduced variances of the coefficients of the Taylor series. This work opens the door to find other variance reduction techniques for derivatives of expectation values.
Accurate load forecasting plays a vital role in numerous sectors, but accurately capturing the complex dynamics of dynamic power systems remains a challenge for traditional statistical models. For these reasons, time-series models (ARIMA) and deep-learning models (ANN, LSTM, GRU, etc.) are commonly deployed and often experience higher success. In this paper, we analyze the efficacy of the recently developed Transformer-based Neural Network model in Load forecasting. Transformer models have the potential to improve Load forecasting because of their ability to learn long-range dependencies derived from their Attention Mechanism. We apply several metaheuristics namely Differential Evolution to find the optimal hyperparameters of the Transformer-based Neural Network to produce accurate forecasts. Differential Evolution provides scalable, robust, global solutions to non-differentiable, multi-objective, or constrained optimization problems. Our work compares the proposed Transformer based Neural Network model integrated with different metaheuristic algorithms by their performance in Load forecasting based on numerical metrics such as Mean Squared Error (MSE) and Mean Absolute Percentage Error (MAPE). Our findings demonstrate the potential of metaheuristic-enhanced Transformer-based Neural Network models in Load forecasting accuracy and provide optimal hyperparameters for each model.
We consider solving partial differential equations (PDEs) with Fourier neural operators (FNOs), which operate in the frequency domain. Since the laws of physics do not depend on the coordinate system used to describe them, it is desirable to encode such symmetries in the neural operator architecture for better performance and easier learning. While encoding symmetries in the physical domain using group theory has been studied extensively, how to capture symmetries in the frequency domain is under-explored. In this work, we extend group convolutions to the frequency domain and design Fourier layers that are equivariant to rotations, translations, and reflections by leveraging the equivariance property of the Fourier transform. The resulting $G$-FNO architecture generalizes well across input resolutions and performs well in settings with varying levels of symmetry. Our code is publicly available as part of the AIRS library (//github.com/divelab/AIRS).
We present a novel multilevel Monte Carlo approach for estimating quantities of interest for stochastic partial differential equations (SPDEs). Drawing inspiration from [Giles and Szpruch: Antithetic multilevel Monte Carlo estimation for multi-dimensional SDEs without L\'evy area simulation, Annals of Appl. Prob., 2014], we extend the antithetic Milstein scheme for finite-dimensional stochastic differential equations to Hilbert space-valued SPDEs. Our method has the advantages of both Euler and Milstein discretizations, as it is easy to implement and does not involve intractable L\'evy area terms. Moreover, the antithetic correction in our method leads to the same variance decay in a MLMC algorithm as the standard Milstein method, resulting in significantly lower computational complexity than a corresponding MLMC Euler scheme. Our approach is applicable to a broader range of non-linear diffusion coefficients and does not require any commutative properties. The key component of our MLMC algorithm is a truncated Milstein-type time stepping scheme for SPDEs, which accelerates the rate of variance decay in the MLMC method when combined with an antithetic coupling on the fine scales. We combine the truncated Milstein scheme with appropriate spatial discretizations and noise approximations on all scales to obtain a fully discrete scheme and show that the antithetic coupling does not introduce an additional bias.
Bayesian causal discovery aims to infer the posterior distribution over causal models from observed data, quantifying epistemic uncertainty and benefiting downstream tasks. However, computational challenges arise due to joint inference over combinatorial space of Directed Acyclic Graphs (DAGs) and nonlinear functions. Despite recent progress towards efficient posterior inference over DAGs, existing methods are either limited to variational inference on node permutation matrices for linear causal models, leading to compromised inference accuracy, or continuous relaxation of adjacency matrices constrained by a DAG regularizer, which cannot ensure resulting graphs are DAGs. In this work, we introduce a scalable Bayesian causal discovery framework based on stochastic gradient Markov Chain Monte Carlo (SG-MCMC) that overcomes these limitations. Our approach directly samples DAGs from the posterior without requiring any DAG regularization, simultaneously draws function parameter samples and is applicable to both linear and nonlinear causal models. To enable our approach, we derive a novel equivalence to the permutation-based DAG learning, which opens up possibilities of using any relaxed gradient estimator defined over permutations. To our knowledge, this is the first framework applying gradient-based MCMC sampling for causal discovery. Empirical evaluations on synthetic and real-world datasets demonstrate our approach's effectiveness compared to state-of-the-art baselines.
Machine learning models often need to be robust to noisy input data. The effect of real-world noise (which is often random) on model predictions is captured by a model's local robustness, i.e., the consistency of model predictions in a local region around an input. However, the na\"ive approach to computing local robustness based on Monte-Carlo sampling is statistically inefficient, leading to prohibitive computational costs for large-scale applications. In this work, we develop the first analytical estimators to efficiently compute local robustness of multi-class discriminative models using local linear function approximation and the multivariate Normal CDF. Through the derivation of these estimators, we show how local robustness is connected to concepts such as randomized smoothing and softmax probability. We also confirm empirically that these estimators accurately and efficiently compute the local robustness of standard deep learning models. In addition, we demonstrate these estimators' usefulness for various tasks involving local robustness, such as measuring robustness bias and identifying examples that are vulnerable to noise perturbation in a dataset. By developing these analytical estimators, this work not only advances conceptual understanding of local robustness, but also makes its computation practical, enabling the use of local robustness in critical downstream applications.
The conjoining of dynamical systems and deep learning has become a topic of great interest. In particular, neural differential equations (NDEs) demonstrate that neural networks and differential equation are two sides of the same coin. Traditional parameterised differential equations are a special case. Many popular neural network architectures, such as residual networks and recurrent networks, are discretisations. NDEs are suitable for tackling generative problems, dynamical systems, and time series (particularly in physics, finance, ...) and are thus of interest to both modern machine learning and traditional mathematical modelling. NDEs offer high-capacity function approximation, strong priors on model space, the ability to handle irregular data, memory efficiency, and a wealth of available theory on both sides. This doctoral thesis provides an in-depth survey of the field. Topics include: neural ordinary differential equations (e.g. for hybrid neural/mechanistic modelling of physical systems); neural controlled differential equations (e.g. for learning functions of irregular time series); and neural stochastic differential equations (e.g. to produce generative models capable of representing complex stochastic dynamics, or sampling from complex high-dimensional distributions). Further topics include: numerical methods for NDEs (e.g. reversible differential equations solvers, backpropagation through differential equations, Brownian reconstruction); symbolic regression for dynamical systems (e.g. via regularised evolution); and deep implicit models (e.g. deep equilibrium models, differentiable optimisation). We anticipate this thesis will be of interest to anyone interested in the marriage of deep learning with dynamical systems, and hope it will provide a useful reference for the current state of the art.
小貼士
登錄享
注冊地址： 北京市海淀區羊坊店路18號2幢3層301-191