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Physics-informed neural networks (PINNs) and their variants have recently emerged as alternatives to traditional partial differential equation (PDE) solvers, but little literature has focused on devising accurate numerical integration methods for neural networks (NNs), which is essential for getting accurate solutions. In this work, we propose adaptive quadratures for the accurate integration of neural networks and apply them to loss functions appearing in low-dimensional PDE discretisations. We show that at opposite ends of the spectrum, continuous piecewise linear (CPWL) activation functions enable one to bound the integration error, while smooth activations ease the convergence of the optimisation problem. We strike a balance by considering a CPWL approximation of a smooth activation function. The CPWL activation is used to obtain an adaptive decomposition of the domain into regions where the network is almost linear, and we derive an adaptive global quadrature from this mesh. The loss function is then obtained by evaluating the smooth network (together with other quantities, e.g., the forcing term) at the quadrature points. We propose a method to approximate a class of smooth activations by CPWL functions and show that it has a quadratic convergence rate. We then derive an upper bound for the overall integration error of our proposed adaptive quadrature. The benefits of our quadrature are evaluated on a strong and weak formulation of the Poisson equation in dimensions one and two. Our numerical experiments suggest that compared to Monte-Carlo integration, our adaptive quadrature makes the convergence of NNs quicker and more robust to parameter initialisation while needing significantly fewer integration points and keeping similar training times.

Gaussian boson sampling, a computational model that is widely believed to admit quantum supremacy, has already been experimentally demonstrated to surpasses the classical simulation capabilities of even with the most powerful supercomputers today. However, whether the current approach limited by photon loss and noise in such experiments prescribes a scalable path to quantum advantage is an open question. For example, random circuit sampling with constant noise per gate was recently shown not to be a scalable approach to achieve quantum supremacy, although simulating intermediate scale systems is still difficult. To understand the effect of photon loss on the scability of Gaussian boson sampling, we use a tensor network algorithm with $U(1)$ symmetry to examine the asymptotic operator entanglement entropy scaling, which relates to the simulation complexity. We develop a custom-built algorithm that significantly reduces the computational time with state-of-the-art hardware accelerators, enabling simulations of much larger systems. With this capability, we observe, for Gaussian boson sampling, the crucial $N_\text{out}\propto\sqrt{N}$ scaling of the number of surviving photons in the number of input photons that marks the boundary between efficient and inefficient classical simulation. We further theoretically show that this should be general for other input states.

Fractional partial differential equations (FPDEs) can effectively represent anomalous transport and nonlocal interactions. However, inherent uncertainties arise naturally in real applications due to random forcing or unknown material properties. Mathematical models considering nonlocal interactions with uncertainty quantification can be formulated as stochastic fractional partial differential equations (SFPDEs). There are many challenges in solving SFPDEs numerically, especially for long-time integration since such problems are high-dimensional and nonlocal. Here, we combine the bi-orthogonal (BO) method for representing stochastic processes with physics-informed neural networks (PINNs) for solving partial differential equations to formulate the bi-orthogonal PINN method (BO-fPINN) for solving time-dependent SFPDEs. Specifically, we introduce a deep neural network for the stochastic solution of the time-dependent SFPDEs, and include the BO constraints in the loss function following a weak formulation. Since automatic differentiation is not currently applicable to fractional derivatives, we employ discretization on a grid to to compute the fractional derivatives of the neural network output. The weak formulation loss function of the BO-fPINN method can overcome some drawbacks of the BO methods and thus can be used to solve SFPDEs with eigenvalue crossings. Moreover, the BO-fPINN method can be used for inverse SFPDEs with the same framework and same computational complexity as for forward problems. We demonstrate the effectiveness of the BO-fPINN method for different benchmark problems. The results demonstrate the flexibility and efficiency of the proposed method, especially for inverse problems.

We consider optimal intervention in the Elliott-Golub-Jackson network model \cite{jackson14} and we show that it can be transformed into an influence maximization-like form, interpreted as the reverse of a default cascade. Our analysis of the optimal intervention problem extends well-established targeting results to the economic network setting, which requires additional theoretical steps. We prove several results about optimal intervention: it is NP-hard and cannot be approximated to a constant factor in polynomial time. In turn, we show that randomizing failure thresholds leads to a version of the problem which is monotone submodular, for which existing powerful approximations in polynomial time can be applied. In addition to optimal intervention, we also show practical consequences of our analysis to other economic network problems: (1) it is computationally hard to calculate expected values in the economic network, and (2) influence maximization algorithms can enable efficient importance sampling and stress testing of large failure scenarios. We illustrate our results on a network of firms connected through input-output linkages inferred from the World Input Output Database.

Traditional signal processing methods relying on mathematical data generation models have been cast aside in favour of deep neural networks, which require vast amounts of data. Since the theoretical sample complexity is nearly impossible to evaluate, these amounts of examples are usually estimated with crude rules of thumb. However, these rules only suggest when the networks should work, but do not relate to the traditional methods. In particular, an interesting question is: how much data is required for neural networks to be on par or outperform, if possible, the traditional model-based methods? In this work, we empirically investigate this question in two simple examples, where the data is generated according to precisely defined mathematical models, and where well-understood optimal or state-of-the-art mathematical data-agnostic solutions are known. A first problem is deconvolving one-dimensional Gaussian signals and a second one is estimating a circle's radius and location in random grayscale images of disks. By training various networks, either naive custom designed or well-established ones, with various amounts of training data, we find that networks require tens of thousands of examples in comparison to the traditional methods, whether the networks are trained from scratch or even with transfer-learning or finetuning.

We consider the estimation problem in high-dimensional semi-supervised learning. Our goal is to investigate when and how the unlabeled data can be exploited to improve the estimation of the regression parameters of linear model in light of the fact that such linear models may be misspecified in data analysis. We first establish the minimax lower bound for parameter estimation in the semi-supervised setting, and show that this lower bound cannot be achieved by supervised estimators using the labeled data only. We propose an optimal semi-supervised estimator that can attain this lower bound and therefore improves the supervised estimators, provided that the conditional mean function can be consistently estimated with a proper rate. We further propose a safe semi-supervised estimator. We view it safe, because this estimator is always at least as good as the supervised estimators. We also extend our idea to the aggregation of multiple semi-supervised estimators caused by different misspecifications of the conditional mean function. Extensive numerical simulations and a real data analysis are conducted to illustrate our theoretical results.

In practical engineering experiments, the data obtained through detectors are inevitably noisy. For the already proposed data-enabled physics-informed neural network (DEPINN) \citep{DEPINN}, we investigate the performance of DEPINN in calculating the neutron diffusion eigenvalue problem from several perspectives when the prior data contain different scales of noise. Further, in order to reduce the effect of noise and improve the utilization of the noisy prior data, we propose innovative interval loss functions and give some rigorous mathematical proofs. The robustness of DEPINN is examined on two typical benchmark problems through a large number of numerical results, and the effectiveness of the proposed interval loss function is demonstrated by comparison. This paper confirms the feasibility of the improved DEPINN for practical engineering applications in nuclear reactor physics.

Gradient-based learning in multi-layer neural networks displays a number of striking features. In particular, the decrease rate of empirical risk is non-monotone even after averaging over large batches. Long plateaus in which one observes barely any progress alternate with intervals of rapid decrease. These successive phases of learning often take place on very different time scales. Finally, models learnt in an early phase are typically `simpler' or `easier to learn' although in a way that is difficult to formalize. Although theoretical explanations of these phenomena have been put forward, each of them captures at best certain specific regimes. In this paper, we study the gradient flow dynamics of a wide two-layer neural network in high-dimension, when data are distributed according to a single-index model (i.e., the target function depends on a one-dimensional projection of the covariates). Based on a mixture of new rigorous results, non-rigorous mathematical derivations, and numerical simulations, we propose a scenario for the learning dynamics in this setting. In particular, the proposed evolution exhibits separation of timescales and intermittency. These behaviors arise naturally because the population gradient flow can be recast as a singularly perturbed dynamical system.

Functional quantile regression (FQR) is a useful alternative to mean regression for functional data as it provides a comprehensive understanding of how scalar predictors influence the conditional distribution of functional responses. In this article, we study the FQR model for densely sampled, high-dimensional functional data without relying on parametric or independent assumptions on the residual process, with the focus on statistical inference and scalable implementation. This is achieved by a simple but powerful distributed strategy, in which we first perform separate quantile regression to compute $M$-estimators at each sampling location, and then carry out estimation and inference for the entire coefficient functions by properly exploiting the uncertainty quantification and dependence structure of $M$-estimators. We derive a uniform Bahadur representation and a strong Gaussian approximation result for the $M$-estimators on the discrete sampling grid, serving as the basis for inference. An interpolation-based estimator with minimax optimality is proposed, and large sample properties for point and simultaneous interval estimators are established. The obtained minimax optimal rate under the FQR model shows an interesting phase transition phenomenon that has been previously observed in functional mean regression. The proposed methods are illustrated via simulations and an application to a mass spectrometry proteomics dataset.

Graph Convolutional Networks (GCNs) and their variants have experienced significant attention and have become the de facto methods for learning graph representations. GCNs derive inspiration primarily from recent deep learning approaches, and as a result, may inherit unnecessary complexity and redundant computation. In this paper, we reduce this excess complexity through successively removing nonlinearities and collapsing weight matrices between consecutive layers. We theoretically analyze the resulting linear model and show that it corresponds to a fixed low-pass filter followed by a linear classifier. Notably, our experimental evaluation demonstrates that these simplifications do not negatively impact accuracy in many downstream applications. Moreover, the resulting model scales to larger datasets, is naturally interpretable, and yields up to two orders of magnitude speedup over FastGCN.