In this article, we propose the fractional weak adversarial networks (f-WANs) for the stationary fractional advection dispersion equations (FADE) based on their weak formulas. This enables us to handle less regular solutions for the fractional equations. To handle the non-local property of the fractional derivatives, convolutional layers and special loss functions are introduced in this neural network. Numerical experiments for both smooth and less regular solutions show the validity of f-WANs.
To quantify uncertainties in inverse problems of partial differential equations (PDEs), we formulate them into statistical inference problems using Bayes' formula. Recently, well-justified infinite-dimensional Bayesian analysis methods have been developed to construct dimension-independent algorithms. However, there are three challenges for these infinite-dimensional Bayesian methods: prior measures usually act as regularizers and are not able to incorporate prior information efficiently; complex noises, such as more practical non-i.i.d. distributed noises, are rarely considered; and time-consuming forward PDE solvers are needed to estimate posterior statistical quantities. To address these issues, an infinite-dimensional inference framework has been proposed based on the infinite-dimensional variational inference method and deep generative models. Specifically, by introducing some measure equivalence assumptions, we derive the evidence lower bound in the infinite-dimensional setting and provide possible parametric strategies that yield a general inference framework called the Variational Inverting Network (VINet). This inference framework can encode prior and noise information from learning examples. In addition, relying on the power of deep neural networks, the posterior mean and variance can be efficiently and explicitly generated in the inference stage. In numerical experiments, we design specific network structures that yield a computable VINet from the general inference framework. Numerical examples of linear inverse problems of an elliptic equation and the Helmholtz equation are presented to illustrate the effectiveness of the proposed inference framework.
This paper proposes a non-centered parameterization based infinite-dimensional mean-field variational inference (NCP-iMFVI) approach for solving the hierarchical Bayesian inverse problems. This method can generate available estimates from the approximated posterior distribution efficiently. To avoid the mutually singular obstacle that occurred in the infinite-dimensional hierarchical approach, we propose a rigorous theory of the non-centered variational Bayesian approach. Since the non-centered parameterization weakens the connection between the parameter and the hyper-parameter, we can introduce the hyper-parameter to all terms of the eigendecomposition of the prior covariance operator. We also show the relationships between the NCP-iMFVI and infinite-dimensional hierarchical approaches with centered parameterization. The proposed algorithm is applied to three inverse problems governed by the simple smooth equation, the Helmholtz equation, and the steady-state Darcy flow equation. Numerical results confirm our theoretical findings, illustrate the efficiency of solving the iMFVI problem formulated by large-scale linear and nonlinear statistical inverse problems, and verify the mesh-independent property.
In this paper, we propose physics-informed neural operators (PINO) that combine training data and physics constraints to learn the solution operator of a given family of parametric Partial Differential Equations (PDE). PINO is the first hybrid approach incorporating data and PDE constraints at different resolutions to learn the operator. Specifically, in PINO, we combine coarse-resolution training data with PDE constraints imposed at a higher resolution. The resulting PINO model can accurately approximate the ground-truth solution operator for many popular PDE families and shows no degradation in accuracy even under zero-shot super-resolution, i.e., being able to predict beyond the resolution of training data. PINO uses the Fourier neural operator (FNO) framework that is guaranteed to be a universal approximator for any continuous operator and discretization-convergent in the limit of mesh refinement. By adding PDE constraints to FNO at a higher resolution, we obtain a high-fidelity reconstruction of the ground-truth operator. Moreover, PINO succeeds in settings where no training data is available and only PDE constraints are imposed, while previous approaches, such as the Physics-Informed Neural Network (PINN), fail due to optimization challenges, e.g., in multi-scale dynamic systems such as Kolmogorov flows.
The exponential-family random graph models (ERGMs) have emerged as an important framework for modeling social networks for a wide variety of relational types. ERGMs for valued networks are less well-developed than their unvalued counterparts, and pose particular computational challenges. Network data with edge values on the non-negative integers (count-valued networks) is an important such case, with examples ranging from the magnitude of migration and trade flows between places to the frequency of interactions and encounters between individuals. Here, we propose an efficient parallelable subsampled maximum pseudo-likelihood estimation (MPLE) scheme for count-valued ERGMs, and compare its performance with existing Contrastive Divergence (CD) and Monte Carlo Maximum Likelihood Estimation (MCMLE) approaches via a simulation study based on migration flow networks in two U.S. states. Our results suggest that edge value variance is a key factor in method performance, while network size mainly influences their relative merits in computational time. For small-variance networks, all methods perform well in point estimations while CD greatly overestimates uncertainties, and MPLE underestimates them for dependence terms; all methods have fast estimation for small networks, but CD and subsampled multi-core MPLE provides speed advantages as network size increases. For large-variance networks, both MPLE and MCMLE offer high-quality estimates of coefficients and their uncertainty, but MPLE is significantly faster than MCMLE; MPLE is also a better seeding method for MCMLE than CD, as the latter makes MCMLE more prone to convergence failure.
The stochastic partial differential equation (SPDE) approach is widely used for modeling large spatial datasets. It is based on representing a Gaussian random field $u$ on $\mathbb{R}^d$ as the solution of an elliptic SPDE $L^\beta u = \mathcal{W}$ where $L$ is a second-order differential operator, $2\beta$ (belongs to natural number starting from 1) is a positive parameter that controls the smoothness of $u$ and $\mathcal{W}$ is Gaussian white noise. A few approaches have been suggested in the literature to extend the approach to allow for any smoothness parameter satisfying $\beta>d/4$. Even though those approaches work well for simulating SPDEs with general smoothness, they are less suitable for Bayesian inference since they do not provide approximations which are Gaussian Markov random fields (GMRFs) as in the original SPDE approach. We address this issue by proposing a new method based on approximating the covariance operator $L^{-2\beta}$ of the Gaussian field $u$ by a finite element method combined with a rational approximation of the fractional power. This results in a numerically stable GMRF approximation which can be combined with the integrated nested Laplace approximation (INLA) method for fast Bayesian inference. A rigorous convergence analysis of the method is performed and the accuracy of the method is investigated with simulated data. Finally, we illustrate the approach and corresponding implementation in the R package rSPDE via an application to precipitation data which is analyzed by combining the rSPDE package with the R-INLA software for full Bayesian inference.
Let $F$ be a finite field, let $f$ be a function from $F$ to $F$, and let $a$ be a nonzero element of $F$. The discrete derivative of $f$ in direction $a$ is $\Delta_a f \colon F \to F$ with $(\Delta_a f)(x)=f(x+a)-f(x)$. The differential spectrum of $f$ is the multiset of cardinalities of all the fibers of all the derivatives $\Delta_a f$ as $a$ runs through $F^*$. The function $f$ is almost perfect nonlinear (APN) if the largest cardinality in the differential spectrum is $2$. Almost perfect nonlinear functions are of interest as cryptographic primitives. If $d$ is a positive integer, the power function over $F$ with exponent $d$ is the function $f \colon F \to F$ with $f(x)=x^d$ for every $x \in F$. There is a small number of known infinite families of APN power functions. In this paper, we re-express the exponents for one such family in a more convenient form. This enables us to give the differential spectrum and, even more, to determine the sizes of individual fibers of derivatives.
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.
Bid optimization for online advertising from single advertiser's perspective has been thoroughly investigated in both academic research and industrial practice. However, existing work typically assume competitors do not change their bids, i.e., the wining price is fixed, leading to poor performance of the derived solution. Although a few studies use multi-agent reinforcement learning to set up a cooperative game, they still suffer the following drawbacks: (1) They fail to avoid collusion solutions where all the advertisers involved in an auction collude to bid an extremely low price on purpose. (2) Previous works cannot well handle the underlying complex bidding environment, leading to poor model convergence. This problem could be amplified when handling multiple objectives of advertisers which are practical demands but not considered by previous work. In this paper, we propose a novel multi-objective cooperative bid optimization formulation called Multi-Agent Cooperative bidding Games (MACG). MACG sets up a carefully designed multi-objective optimization framework where different objectives of advertisers are incorporated. A global objective to maximize the overall profit of all advertisements is added in order to encourage better cooperation and also to protect self-bidding advertisers. To avoid collusion, we also introduce an extra platform revenue constraint. We analyze the optimal functional form of the bidding formula theoretically and design a policy network accordingly to generate auction-level bids. Then we design an efficient multi-agent evolutionary strategy for model optimization. Offline experiments and online A/B tests conducted on the Taobao platform indicate both single advertiser's objective and global profit have been significantly improved compared to state-of-art methods.
Residual networks (ResNets) have displayed impressive results in pattern recognition and, recently, have garnered considerable theoretical interest due to a perceived link with neural ordinary differential equations (neural ODEs). This link relies on the convergence of network weights to a smooth function as the number of layers increases. We investigate the properties of weights trained by stochastic gradient descent and their scaling with network depth through detailed numerical experiments. We observe the existence of scaling regimes markedly different from those assumed in neural ODE literature. Depending on certain features of the network architecture, such as the smoothness of the activation function, one may obtain an alternative ODE limit, a stochastic differential equation or neither of these. These findings cast doubts on the validity of the neural ODE model as an adequate asymptotic description of deep ResNets and point to an alternative class of differential equations as a better description of the deep network limit.
In order to overcome the expressive limitations of graph neural networks (GNNs), we propose the first method that exploits vector flows over graphs to develop globally consistent directional and asymmetric aggregation functions. We show that our directional graph networks (DGNs) generalize convolutional neural networks (CNNs) when applied on a grid. Whereas recent theoretical works focus on understanding local neighbourhoods, local structures and local isomorphism with no global information flow, our novel theoretical framework allows directional convolutional kernels in any graph. First, by defining a vector field in the graph, we develop a method of applying directional derivatives and smoothing by projecting node-specific messages into the field. Then we propose the use of the Laplacian eigenvectors as such vector field, and we show that the method generalizes CNNs on an n-dimensional grid, and is provably more discriminative than standard GNNs regarding the Weisfeiler-Lehman 1-WL test. Finally, we bring the power of CNN data augmentation to graphs by providing a means of doing reflection, rotation and distortion on the underlying directional field. We evaluate our method on different standard benchmarks and see a relative error reduction of 8\% on the CIFAR10 graph dataset and 11% to 32% on the molecular ZINC dataset. An important outcome of this work is that it enables to translate any physical or biological problems with intrinsic directional axes into a graph network formalism with an embedded directional field.