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In this work, we address a foundational question in the theoretical analysis of the Deep Ritz Method (DRM) under the over-parameteriztion regime: Given a target precision level, how can one determine the appropriate number of training samples, the key architectural parameters of the neural networks, the step size for the projected gradient descent optimization procedure, and the requisite number of iterations, such that the output of the gradient descent process closely approximates the true solution of the underlying partial differential equation to the specified precision?

To effectively implement quantum algorithms on noisy intermediate-scale quantum (NISQ) processors is a central task in modern quantum technology. NISQ processors feature tens to a few hundreds of noisy qubits with limited coherence times and gate operations with errors, so NISQ algorithms naturally require employing circuits of short lengths via quantum compilation. Here, we develop a reinforcement learning (RL)-based quantum compiler for a superconducting processor and demonstrate its capability of discovering novel and hardware-amenable circuits with short lengths. We show that for the three-qubit quantum Fourier transformation, a compiled circuit using only seven CZ gates with unity circuit fidelity can be achieved. The compiler is also able to find optimal circuits under device topological constraints, with lengths considerably shorter than those by the conventional method. Our study exemplifies the codesign of the software with hardware for efficient quantum compilation, offering valuable insights for the advancement of RL-based compilers.

Deep nonparametric regression, characterized by the utilization of deep neural networks to learn target functions, has emerged as a focus of research attention in recent years. Despite considerable progress in understanding convergence rates, the absence of asymptotic properties hinders rigorous statistical inference. To address this gap, we propose a novel framework that transforms the deep estimation paradigm into a platform conducive to conditional mean estimation, leveraging the conditional diffusion model. Theoretically, we develop an end-to-end convergence rate for the conditional diffusion model and establish the asymptotic normality of the generated samples. Consequently, we are equipped to construct confidence regions, facilitating robust statistical inference. Furthermore, through numerical experiments, we empirically validate the efficacy of our proposed methodology.

Machine learning is a rapidly advancing field with diverse applications across various domains. One prominent area of research is the utilization of deep learning techniques for solving partial differential equations(PDEs). In this work, we specifically focus on employing a three-layer tanh neural network within the framework of the deep Ritz method(DRM) to solve second-order elliptic equations with three different types of boundary conditions. We perform projected gradient descent(PDG) to train the three-layer network and we establish its global convergence. To the best of our knowledge, we are the first to provide a comprehensive error analysis of using overparameterized networks to solve PDE problems, as our analysis simultaneously includes estimates for approximation error, generalization error, and optimization error. We present error bound in terms of the sample size $n$ and our work provides guidance on how to set the network depth, width, step size, and number of iterations for the projected gradient descent algorithm. Importantly, our assumptions in this work are classical and we do not require any additional assumptions on the solution of the equation. This ensures the broad applicability and generality of our results.

We propose the characteristic generator, a novel one-step generative model that combines the efficiency of sampling in Generative Adversarial Networks (GANs) with the stable performance of flow-based models. Our model is driven by characteristics, along which the probability density transport can be described by ordinary differential equations (ODEs). Specifically, We estimate the velocity field through nonparametric regression and utilize Euler method to solve the probability flow ODE, generating a series of discrete approximations to the characteristics. We then use a deep neural network to fit these characteristics, ensuring a one-step mapping that effectively pushes the prior distribution towards the target distribution. In the theoretical aspect, we analyze the errors in velocity matching, Euler discretization, and characteristic fitting to establish a non-asymptotic convergence rate for the characteristic generator in 2-Wasserstein distance. To the best of our knowledge, this is the first thorough analysis for simulation-free one step generative models. Additionally, our analysis refines the error analysis of flow-based generative models in prior works. We apply our method on both synthetic and real datasets, and the results demonstrate that the characteristic generator achieves high generation quality with just a single evaluation of neural network.

This paper aims to conduct a comprehensive theoretical analysis of current diffusion models. We introduce a novel generative learning methodology utilizing the Schr{\"o}dinger bridge diffusion model in latent space as the framework for theoretical exploration in this domain. Our approach commences with the pre-training of an encoder-decoder architecture using data originating from a distribution that may diverge from the target distribution, thus facilitating the accommodation of a large sample size through the utilization of pre-existing large-scale models. Subsequently, we develop a diffusion model within the latent space utilizing the Schr{\"o}dinger bridge framework. Our theoretical analysis encompasses the establishment of end-to-end error analysis for learning distributions via the latent Schr{\"o}dinger bridge diffusion model. Specifically, we control the second-order Wasserstein distance between the generated distribution and the target distribution. Furthermore, our obtained convergence rates effectively mitigate the curse of dimensionality, offering robust theoretical support for prevailing diffusion models.

We present theoretical convergence guarantees for ODE-based generative models, specifically flow matching. We use a pre-trained autoencoder network to map high-dimensional original inputs to a low-dimensional latent space, where a transformer network is trained to predict the velocity field of the transformation from a standard normal distribution to the target latent distribution. Our error analysis demonstrates the effectiveness of this approach, showing that the distribution of samples generated via estimated ODE flow converges to the target distribution in the Wasserstein-2 distance under mild and practical assumptions. Furthermore, we show that arbitrary smooth functions can be effectively approximated by transformer networks with Lipschitz continuity, which may be of independent interest.

Continuous normalizing flows (CNFs) are a generative method for learning probability distributions, which is based on ordinary differential equations. This method has shown remarkable empirical success across various applications, including large-scale image synthesis, protein structure prediction, and molecule generation. In this work, we study the theoretical properties of CNFs with linear interpolation in learning probability distributions from a finite random sample, using a flow matching objective function. We establish non-asymptotic error bounds for the distribution estimator based on CNFs, in terms of the Wasserstein-2 distance. The key assumption in our analysis is that the target distribution satisfies one of the following three conditions: it either has a bounded support, is strongly log-concave, or is a finite or infinite mixture of Gaussian distributions. We present a convergence analysis framework that encompasses the error due to velocity estimation, the discretization error, and the early stopping error. A key step in our analysis involves establishing the regularity properties of the velocity field and its estimator for CNFs constructed with linear interpolation. This necessitates the development of uniform error bounds with Lipschitz regularity control of deep ReLU networks that approximate the Lipschitz function class, which could be of independent interest. Our nonparametric convergence analysis offers theoretical guarantees for using CNFs to learn probability distributions from a finite random sample., Comment: 60 pages, 3 tables, and 3 figures

In this article, we propose a novel Stabilized Physics Informed Neural Networks method (SPINNs) for solving wave equations. In general, this method not only demonstrates theoretical convergence but also exhibits higher efficiency compared to the original PINNs. By replacing the $L^2$ norm with $H^1$ norm in the learning of initial condition and boundary condition, we theoretically proved that the error of solution can be upper bounded by the risk in SPINNs. Based on this, we decompose the error of SPINNs into approximation error, statistical error and optimization error. Furthermore, by applying the approximating theory of $ReLU^3$ networks and the learning theory on Rademacher complexity, covering number and pseudo-dimension of neural networks, we present a systematical non-asymptotic convergence analysis on our method, which shows that the error of SPINNs can be well controlled if the number of training samples, depth and width of the deep neural networks have been appropriately chosen. Two illustrative numerical examples on 1-dimensional and 2-dimensional wave equations demonstrate that SPINNs can achieve a faster and better convergence than classical PINNs method.

We introduce an ordinary differential equation (ODE) based deep generative method for learning conditional distributions, named Conditional F\"ollmer Flow. Starting from a standard Gaussian distribution, the proposed flow could approximate the target conditional distribution very well when the time is close to 1. For effective implementation, we discretize the flow with Euler's method where we estimate the velocity field nonparametrically using a deep neural network. Furthermore, we also establish the convergence result for the Wasserstein-2 distance between the distribution of the learned samples and the target conditional distribution, providing the first comprehensive end-to-end error analysis for conditional distribution learning via ODE flow. Our numerical experiments showcase its effectiveness across a range of scenarios, from standard nonparametric conditional density estimation problems to more intricate challenges involving image data, illustrating its superiority over various existing conditional density estimation methods., Comment: The original title of this paper is "Deep Conditional Generative Learning: Model and Error Analysis"

We propose SDORE, a semi-supervised deep Sobolev regressor, for the nonparametric estimation of the underlying regression function and its gradient. SDORE employs deep neural networks to minimize empirical risk with gradient norm regularization, allowing computation of the gradient norm on unlabeled data. We conduct a comprehensive analysis of the convergence rates of SDORE and establish a minimax optimal rate for the regression function. Crucially, we also derive a convergence rate for the associated plug-in gradient estimator, even in the presence of significant domain shift. These theoretical findings offer valuable prior guidance for selecting regularization parameters and determining the size of the neural network, while showcasing the provable advantage of leveraging unlabeled data in semi-supervised learning. To the best of our knowledge, SDORE is the first provable neural network-based approach that simultaneously estimates the regression function and its gradient, with diverse applications including nonparametric variable selection and inverse problems. The effectiveness of SDORE is validated through an extensive range of numerical simulations and real data analysis.

Deep reinforcement learning (RL) has shown remarkable success in specific offline decision-making scenarios, yet its theoretical guarantees are still under development. Existing works on offline RL theory primarily emphasize a few trivial settings, such as linear MDP or general function approximation with strong assumptions and independent data, which lack guidance for practical use. The coupling of deep learning and Bellman residuals makes this problem challenging, in addition to the difficulty of data dependence. In this paper, we establish a non-asymptotic estimation error of pessimistic offline RL using general neural network approximation with $\mathcal{C}$-mixing data regarding the structure of networks, the dimension of datasets, and the concentrability of data coverage, under mild assumptions. Our result shows that the estimation error consists of two parts: the first converges to zero at a desired rate on the sample size with partially controllable concentrability, and the second becomes negligible if the residual constraint is tight. This result demonstrates the explicit efficiency of deep adversarial offline RL frameworks. We utilize the empirical process tool for $\mathcal{C}$-mixing sequences and the neural network approximation theory for the H\"{o}lder class to achieve this. We also develop methods to bound the Bellman estimation error caused by function approximation with empirical Bellman constraint perturbations. Additionally, we present a result that lessens the curse of dimensionality using data with low intrinsic dimensionality and function classes with low complexity. Our estimation provides valuable insights into the development of deep offline RL and guidance for algorithm model design., Comment: Full version of the paper accepted to the 38th Annual AAAI Conference on Artificial Intelligence (AAAI 2024)

Gaussian denoising has emerged as a powerful method for constructing simulation-free continuous normalizing flows for generative modeling. Despite their empirical successes, theoretical properties of these flows and the regularizing effect of Gaussian denoising have remained largely unexplored. In this work, we aim to address this gap by investigating the well-posedness of simulation-free continuous normalizing flows built on Gaussian denoising. Through a unified framework termed Gaussian interpolation flow, we establish the Lipschitz regularity of the flow velocity field, the existence and uniqueness of the flow, and the Lipschitz continuity of the flow map and the time-reversed flow map for several rich classes of target distributions. This analysis also sheds light on the auto-encoding and cycle consistency properties of Gaussian interpolation flows. Additionally, we study the stability of these flows in source distributions and perturbations of the velocity field, using the quadratic Wasserstein distance as a metric. Our findings offer valuable insights into the learning techniques employed in Gaussian interpolation flows for generative modeling, providing a solid theoretical foundation for end-to-end error analyses of learning Gaussian interpolation flows with empirical observations., Comment: 51 pages, 6 figures, 1 table

We introduce a novel unit-time ordinary differential equation (ODE) flow called the preconditioned F\"{o}llmer flow, which efficiently transforms a Gaussian measure into a desired target measure at time 1. To discretize the flow, we apply Euler's method, where the velocity field is calculated either analytically or through Monte Carlo approximation using Gaussian samples. Under reasonable conditions, we derive a non-asymptotic error bound in the Wasserstein distance between the sampling distribution and the target distribution. Through numerical experiments on mixture distributions in 1D, 2D, and high-dimensional spaces, we demonstrate that the samples generated by our proposed flow exhibit higher quality compared to those obtained by several existing methods. Furthermore, we propose leveraging the F\"{o}llmer flow as a warmstart strategy for existing Markov Chain Monte Carlo (MCMC) methods, aiming to mitigate mode collapses and enhance their performance. Finally, thanks to the deterministic nature of the F\"{o}llmer flow, we can leverage deep neural networks to fit the trajectory of sample evaluations. This allows us to obtain a generator for one-step sampling as a result., Comment: 24 pages, 6 figures, 3 tables

Understanding the power of parameterized quantum circuits (PQCs) in accomplishing machine learning tasks is one of the most important questions in quantum machine learning. In this paper, we analyze the expressivity of PQCs through the lens of function approximation. Previously established universal approximation theorems for PQCs are mainly nonconstructive, leading us to the following question: How large do the PQCs need to be to approximate the target function up to a given error? We exhibit explicit constructions of data re-uploading PQCs for approximating continuous and smooth functions and establish quantitative approximation error bounds in terms of the width, the depth and the number of trainable parameters of the PQCs. To achieve this, we utilize techniques from quantum signal processing and linear combinations of unitaries to construct PQCs that implement multivariate polynomials. We implement global and local approximation techniques using Bernstein polynomials and local Taylor expansion and analyze their performances in the quantum setting. We also compare our proposed PQCs to nearly optimal deep neural networks in approximating high-dimensional smooth functions, showing that the ratio between model sizes of PQC and deep neural networks is exponentially small with respect to the input dimension. This suggests a potentially novel avenue for showcasing quantum advantages in quantum machine learning., Comment: 31pages, 3 figures

Inspired by the construction of the F{\"o}llmer process, we construct a unit-time flow on the Euclidean space, termed the F{\"o}llmer flow, whose flow map at time 1 pushes forward a standard Gaussian measure onto a general target measure. We study the well-posedness of the F{\"o}llmer flow and establish the Lipschitz property of the flow map at time 1. We apply the Lipschitz mapping to several rich classes of probability measures on deriving dimension-free functional inequalities and concentration inequalities for the empirical measure.

We propose a general approach to evaluating the performance of robust estimators based on adversarial losses under misspecified models. We first show that adversarial risk is equivalent to the risk induced by a distributional adversarial attack under certain smoothness conditions. This ensures that the adversarial training procedure is well-defined. To evaluate the generalization performance of the adversarial estimator, we study the adversarial excess risk. Our proposed analysis method includes investigations on both generalization error and approximation error. We then establish non-asymptotic upper bounds for the adversarial excess risk associated with Lipschitz loss functions. In addition, we apply our general results to adversarial training for classification and regression problems. For the quadratic loss in nonparametric regression, we show that the adversarial excess risk bound can be improved over those for a general loss., Comment: 27 pages, 3 tables

In this paper, we introduce CDII-PINNs, a computationally efficient method for solving CDII using PINNs in the framework of Tikhonov regularization. This method constructs a physics-informed loss function by merging the regularized least-squares output functional with an underlying differential equation, which describes the relationship between the conductivity and voltage. A pair of neural networks representing the conductivity and voltage, respectively, are coupled by this loss function. Then, minimizing the loss function provides a reconstruction. A rigorous theoretical guarantee is provided. We give an error analysis for CDII-PINNs and establish a convergence rate, based on prior selected neural network parameters in terms of the number of samples. The numerical simulations demonstrate that CDII-PINNs are efficient, accurate and robust to noise levels ranging from $1\%$ to $20\%$.

We study the properties of differentiable neural networks activated by rectified power unit (RePU) functions. We show that the partial derivatives of RePU neural networks can be represented by RePUs mixed-activated networks and derive upper bounds for the complexity of the function class of derivatives of RePUs networks. We establish error bounds for simultaneously approximating $C^s$ smooth functions and their derivatives using RePU-activated deep neural networks. Furthermore, we derive improved approximation error bounds when data has an approximate low-dimensional support, demonstrating the ability of RePU networks to mitigate the curse of dimensionality. To illustrate the usefulness of our results, we consider a deep score matching estimator (DSME) and propose a penalized deep isotonic regression (PDIR) using RePU networks. We establish non-asymptotic excess risk bounds for DSME and PDIR under the assumption that the target functions belong to a class of $C^s$ smooth functions. We also show that PDIR achieves the minimax optimal convergence rate and has a robustness property in the sense it is consistent with vanishing penalty parameters even when the monotonicity assumption is not satisfied. Furthermore, if the data distribution is supported on an approximate low-dimensional manifold, we show that DSME and PDIR can mitigate the curse of dimensionality., Comment: 78 pages, 20 figures, and 6 tables. arXiv admin note: text overlap with arXiv:2207.10442

In this paper, we focus on approximating a natural class of functions that are compositions of smooth functions. Unlike the low-dimensional support assumption on the covariate, we demonstrate that composition functions have an intrinsic sparse structure if we assume each layer in the composition has a small degree of freedom. This fact can alleviate the curse of dimensionality in approximation errors by neural networks. Specifically, by using mathematical induction and the multivariate Faa di Bruno formula, we extend the approximation theory of deep neural networks to the composition functions case. Furthermore, combining recent results on the statistical error of deep learning, we provide a general convergence rate analysis for the PINNs method in solving elliptic equations with compositional solutions. We also present two simple illustrative numerical examples to demonstrate the effect of the intrinsic sparse structure in regression and solving PDEs., Comment: There are errors in the crucial Lemma 3.1, which is a result from our previous work that has not undergone peer review. During the refinement of this manuscript, one of our colleagues pointed out a potential mistake in the proof of this result, indicating that certain corrections are needed to ensure its correctness. To uphold academic rigor, we decide to withdraw the paper at this time

With the recent study of deep learning in scientific computation, the Physics-Informed Neural Networks (PINNs) method has drawn widespread attention for solving Partial Differential Equations (PDEs). Compared to traditional methods, PINNs can efficiently handle high-dimensional problems, but the accuracy is relatively low, especially for highly irregular problems. Inspired by the idea of adaptive finite element methods and incremental learning, we propose GAS, a Gaussian mixture distribution-based adaptive sampling method for PINNs. During the training procedure, GAS uses the current residual information to generate a Gaussian mixture distribution for the sampling of additional points, which are then trained together with historical data to speed up the convergence of the loss and achieve higher accuracy. Several numerical simulations on 2D and 10D problems show that GAS is a promising method that achieves state-of-the-art accuracy among deep solvers, while being comparable with traditional numerical solvers.

This paper analyzes the convergence rate of a deep Galerkin method for the weak solution (DGMW) of second-order elliptic partial differential equations on $\mathbb{R}^d$ with Dirichlet, Neumann, and Robin boundary conditions, respectively. In DGMW, a deep neural network is applied to parametrize the PDE solution, and a second neural network is adopted to parametrize the test function in the traditional Galerkin formulation. By properly choosing the depth and width of these two networks in terms of the number of training samples $n$, it is shown that the convergence rate of DGMW is $\mathcal{O}(n^{-1/d})$, which is the first convergence result for weak solutions. The main idea of the proof is to divide the error of the DGMW into an approximation error and a statistical error. We derive an upper bound on the approximation error in the $H^{1}$ norm and bound the statistical error via Rademacher complexity., Comment: arXiv admin note: substantial text overlap with arXiv:2107.14478

We propose a penalized nonparametric approach to estimating the quantile regression process (QRP) in a nonseparable model using rectifier quadratic unit (ReQU) activated deep neural networks and introduce a novel penalty function to enforce non-crossing of quantile regression curves. We establish the non-asymptotic excess risk bounds for the estimated QRP and derive the mean integrated squared error for the estimated QRP under mild smoothness and regularity conditions. To establish these non-asymptotic risk and estimation error bounds, we also develop a new error bound for approximating $C^s$ smooth functions with $s >0$ and their derivatives using ReQU activated neural networks. This is a new approximation result for ReQU networks and is of independent interest and may be useful in other problems. Our numerical experiments demonstrate that the proposed method is competitive with or outperforms two existing methods, including methods using reproducing kernels and random forests, for nonparametric quantile regression., Comment: 44 pages, 10 figures, 6 tables

We propose a deep generative approach to nonparametric estimation of conditional survival and hazard functions with right-censored data. The key idea of the proposed method is to first learn a conditional generator for the joint conditional distribution of the observed time and censoring indicator given the covariates, and then construct the Kaplan-Meier and Nelson-Aalen estimators based on this conditional generator for the conditional hazard and survival functions. Our method combines ideas from the recently developed deep generative learning and classical nonparametric estimation in survival analysis. We analyze the convergence properties of the proposed method and establish the consistency of the generative nonparametric estimators of the conditional survival and hazard functions. Our numerical experiments validate the proposed method and demonstrate its superior performance in a range of simulated models. We also illustrate the applications of the proposed method in constructing prediction intervals for survival times with the PBC (Primary Biliary Cholangitis) and SUPPORT (Study to Understand Prognoses and Preferences for Outcomes and Risks of Treatments) datasets., Comment: 33 pages, 14 figures

Efficient quantum compiling tactics greatly enhance the capability of quantum computers to execute complicated quantum algorithms. Due to its fundamental importance, a plethora of quantum compilers has been designed in past years. However, there are several caveats to current protocols, which are low optimality, high inference time, limited scalability, and lack of universality. To compensate for these defects, here we devise an efficient and practical quantum compiler assisted by advanced deep reinforcement learning (RL) techniques, i.e., data generation, deep Q-learning, and AQ* search. In this way, our protocol is compatible with various quantum machines and can be used to compile multi-qubit operators. We systematically evaluate the performance of our proposal in compiling quantum operators with both inverse-closed and inverse-free universal basis sets. In the task of single-qubit operator compiling, our proposal outperforms other RL-based quantum compilers in the measure of compiling sequence length and inference time. Meanwhile, the output solution is near-optimal, guaranteed by the Solovay-Kitaev theorem. Notably, for the inverse-free universal basis set, the achieved sequence length complexity is comparable with the inverse-based setting and dramatically advances previous methods. These empirical results contribute to improving the inverse-free Solovay-Kitaev theorem. In addition, for the first time, we demonstrate how to leverage RL-based quantum compilers to accomplish two-qubit operator compiling. The achieved results open an avenue for integrating RL with quantum compiling to unify efficiency and practicality and thus facilitate the exploration of quantum advantages.

This paper studies the approximation capacity of ReLU neural networks with norm constraint on the weights. We prove upper and lower bounds on the approximation error of these networks for smooth function classes. The lower bound is derived through the Rademacher complexity of neural networks, which may be of independent interest. We apply these approximation bounds to analyze the convergences of regression using norm constrained neural networks and distribution estimation by GANs. In particular, we obtain convergence rates for over-parameterized neural networks. It is also shown that GANs can achieve optimal rate of learning probability distributions, when the discriminator is a properly chosen norm constrained neural network.

Conditional distribution is a fundamental quantity for describing the relationship between a response and a predictor. We propose a Wasserstein generative approach to learning a conditional distribution. The proposed approach uses a conditional generator to transform a known distribution to the target conditional distribution. The conditional generator is estimated by matching a joint distribution involving the conditional generator and the target joint distribution, using the Wasserstein distance as the discrepancy measure for these joint distributions. We establish non-asymptotic error bound of the conditional sampling distribution generated by the proposed method and show that it is able to mitigate the curse of dimensionality, assuming that the data distribution is supported on a lower-dimensional set. We conduct numerical experiments to validate proposed method and illustrate its applications to conditional sample generation, nonparametric conditional density estimation, prediction uncertainty quantification, bivariate response data, image reconstruction and image generation., Comment: 34 pages, 8 figures

In this work we propose a nonconvex two-stage \underline{s}tochastic \underline{a}lternating \underline{m}inimizing (SAM) method for sparse phase retrieval. The proposed algorithm is guaranteed to have an exact recovery from $O(s\log n)$ samples if provided the initial guess is in a local neighbour of the ground truth. Thus, the proposed algorithm is two-stage, first we estimate a desired initial guess (e.g. via a spectral method), and then we introduce a randomized alternating minimization strategy for local refinement. Also, the hard-thresholding pursuit algorithm is employed to solve the sparse constraint least square subproblems. We give the theoretical justifications that SAM find the underlying signal exactly in a finite number of iterations (no more than $O(\log m)$ steps) with high probability. Further, numerical experiments illustrates that SAM requires less measurements than state-of-the-art algorithms for sparse phase retrieval problem.

In this paper, we consider recovering $n$ dimensional signals from $m$ binary measurements corrupted by noises and sign flips under the assumption that the target signals have low generative intrinsic dimension, i.e., the target signals can be approximately generated via an $L$-Lipschitz generator $G: \mathbb{R}^k\rightarrow\mathbb{R}^{n}, k\ll n$. Although the binary measurements model is highly nonlinear, we propose a least square decoder and prove that, up to a constant $c$, with high probability, the least square decoder achieves a sharp estimation error $\mathcal{O} (\sqrt{\frac{k\log (Ln)}{m}})$ as long as $m\geq \mathcal{O}( k\log (Ln))$. Extensive numerical simulations and comparisons with state-of-the-art methods demonstrated the least square decoder is robust to noise and sign flips, as indicated by our theory. By constructing a ReLU network with properly chosen depth and width, we verify the (approximately) deep generative prior, which is of independent interest.

In this work, we consider the algorithm to the (nonlinear) regression problems with $\ell_0$ penalty. The existing algorithms for $\ell_0$ based optimization problem are often carried out with a fixed step size, and the selection of an appropriate step size depends on the restricted strong convexity and smoothness for the loss function, hence it is difficult to compute in practical calculation. In sprite of the ideas of support detection and root finding \cite{HJK2020}, we proposes a novel and efficient data-driven line search rule to adaptively determine the appropriate step size. We prove the $\ell_2$ error bound to the proposed algorithm without much restrictions for the cost functional. A large number of numerical comparisons with state-of-the-art algorithms in linear and logistic regression problems show the stability, effectiveness and superiority of the proposed algorithms.

Deep Ritz methods (DRM) have been proven numerically to be efficient in solving partial differential equations. In this paper, we present a convergence rate in $H^{1}$ norm for deep Ritz methods for Laplace equations with Dirichlet boundary condition, where the error depends on the depth and width in the deep neural networks and the number of samples explicitly. Further we can properly choose the depth and width in the deep neural networks in terms of the number of training samples. The main idea of the proof is to decompose the total error of DRM into three parts, that is approximation error, statistical error and the error caused by the boundary penalty. We bound the approximation error in $H^{1}$ norm with $\mathrm{ReLU}^{2}$ networks and control the statistical error via Rademacher complexity. In particular, we derive the bound on the Rademacher complexity of the non-Lipschitz composition of gradient norm with $\mathrm{ReLU}^{2}$ network, which is of immense independent interest. We also analysis the error inducing by the boundary penalty method and give a prior rule for tuning the penalty parameter., Comment: arXiv admin note: substantial text overlap with arXiv:2103.13330; text overlap with arXiv:2109.01780

We study the problem of finding global minimizers of $V(x):\mathbb{R}^d\rightarrow\mathbb{R}$ approximately via sampling from a probability distribution $\mu_{\sigma}$ with density $p_{\sigma}(x)=\dfrac{\exp(-V(x)/\sigma)}{\int_{\mathbb R^d} \exp(-V(y)/\sigma) dy }$ with respect to the Lebesgue measure for $\sigma \in (0,1]$ small enough. We analyze a sampler based on the Euler-Maruyama discretization of the Schr{\"o}dinger-F{\"o}llmer diffusion processes with stochastic approximation under appropriate assumptions on the step size $s$ and the potential $V$. We prove that the output of the proposed sampler is an approximate global minimizer of $V(x)$ with high probability at cost of sampling $\mathcal{O}(d^{3})$ standard normal random variables. Numerical studies illustrate the effectiveness of the proposed method and its superiority to the Langevin method., Comment: arXiv admin note: text overlap with arXiv:2107.04766

We derive nearly sharp bounds for the bidirectional GAN (BiGAN) estimation error under the Dudley distance between the latent joint distribution and the data joint distribution with appropriately specified architecture of the neural networks used in the model. To the best of our knowledge, this is the first theoretical guarantee for the bidirectional GAN learning approach. An appealing feature of our results is that they do not assume the reference and the data distributions to have the same dimensions or these distributions to have bounded support. These assumptions are commonly assumed in the existing convergence analysis of the unidirectional GANs but may not be satisfied in practice. Our results are also applicable to the Wasserstein bidirectional GAN if the target distribution is assumed to have a bounded support. To prove these results, we construct neural network functions that push forward an empirical distribution to another arbitrary empirical distribution on a possibly different-dimensional space. We also develop a novel decomposition of the integral probability metric for the error analysis of bidirectional GANs. These basic theoretical results are of independent interest and can be applied to other related learning problems., Comment: Corresponding authors: Yunfei Yang (yyangdc@connect.ust.hk), Jian Huang (jian-huang@uiowa.edu), Yuling Jiao (yulingjiaomath@whu.edu.cn)

We propose a deep generative approach to sampling from a conditional distribution based on a unified formulation of conditional distribution and generalized nonparametric regression function using the noise-outsourcing lemma. The proposed approach aims at learning a conditional generator so that a random sample from the target conditional distribution can be obtained by the action of the conditional generator on a sample drawn from a reference distribution. The conditional generator is estimated nonparametrically with neural networks by matching appropriate joint distributions using the Kullback-Liebler divergence. An appealing aspect of our method is that it allows either of or both the predictor and the response to be high-dimensional and can handle both continuous and discrete type predictors and responses. We show that the proposed method is consistent in the sense that the conditional generator converges in distribution to the underlying conditional distribution under mild conditions. Our numerical experiments with simulated and benchmark image data validate the proposed method and demonstrate that it outperforms several existing conditional density estimation methods., Comment: 62 pages, 10 figures. Xingyu Zhou and Yuling Jiao contributed equally to this work. Corresponding author: Jian Huang (jian-huang@uiowa.edu)

We propose a relative entropy gradient sampler (REGS) for sampling from unnormalized distributions. REGS is a particle method that seeks a sequence of simple nonlinear transforms iteratively pushing the initial samples from a reference distribution into the samples from an unnormalized target distribution. To determine the nonlinear transforms at each iteration, we consider the Wasserstein gradient flow of relative entropy. This gradient flow determines a path of probability distributions that interpolates the reference distribution and the target distribution. It is characterized by an ODE system with velocity fields depending on the density ratios of the density of evolving particles and the unnormalized target density. To sample with REGS, we need to estimate the density ratios and simulate the ODE system with particle evolution. We propose a novel nonparametric approach to estimating the logarithmic density ratio using neural networks. Extensive simulation studies on challenging multimodal 1D and 2D mixture distributions and Bayesian logistic regression on real datasets demonstrate that the REGS outperforms the state-of-the-art sampling methods included in the comparison.

Recovering sparse signals from observed data is an important topic in signal/imaging processing, statistics and machine learning. Nonconvex penalized least squares have been attracted a lot of attentions since they enjoy nice statistical properties. Computationally, coordinate descent (CD) is a workhorse for minimizing the nonconvex penalized least squares criterion due to its simplicity and scalability. In this work, we prove the linear convergence rate to CD for solving MCP/SCAD penalized least squares problems.

In recent years, physical informed neural networks (PINNs) have been shown to be a powerful tool for solving PDEs empirically. However, numerical analysis of PINNs is still missing. In this paper, we prove the convergence rate to PINNs for the second order elliptic equations with Dirichlet boundary condition, by establishing the upper bounds on the number of training samples, depth and width of the deep neural networks to achieve desired accuracy. The error of PINNs is decomposed into approximation error and statistical error, where the approximation error is given in $C^2$ norm with $\mathrm{ReLU}^{3}$ networks (deep network with activations function $\max\{0,x^3\}$) and the statistical error is estimated by Rademacher complexity. We derive the bound on the Rademacher complexity of the non-Lipschitz composition of gradient norm with $\mathrm{ReLU}^{3}$ network, which is of immense independent interest., Comment: arXiv admin note: text overlap with arXiv:2103.13330

Using deep neural networks to solve PDEs has attracted a lot of attentions recently. However, why the deep learning method works is falling far behind its empirical success. In this paper, we provide a rigorous numerical analysis on deep Ritz method (DRM) \cite{Weinan2017The} for second order elliptic equations with Drichilet, Neumann and Robin boundary condition, respectively. We establish the first nonasymptotic convergence rate in $H^1$ norm for DRM using deep networks with smooth activation functions including logistic and hyperbolic tangent functions. Our results show how to set the hyper-parameter of depth and width to achieve the desired convergence rate in terms of number of training samples.

In this paper, we study the properties of robust nonparametric estimation using deep neural networks for regression models with heavy tailed error distributions. We establish the non-asymptotic error bounds for a class of robust nonparametric regression estimators using deep neural networks with ReLU activation under suitable smoothness conditions on the regression function and mild conditions on the error term. In particular, we only assume that the error distribution has a finite p-th moment with p greater than one. We also show that the deep robust regression estimators are able to circumvent the curse of dimensionality when the distribution of the predictor is supported on an approximate lower-dimensional set. An important feature of our error bound is that, for ReLU neural networks with network width and network size (number of parameters) no more than the order of the square of the dimensionality d of the predictor, our excess risk bounds depend sub-linearly on d. Our assumption relaxes the exact manifold support assumption, which could be restrictive and unrealistic in practice. We also relax several crucial assumptions on the data distribution, the target regression function and the neural networks required in the recent literature. Our simulation studies demonstrate that the robust methods can significantly outperform the least squares method when the errors have heavy-tailed distributions and illustrate that the choice of loss function is important in the context of deep nonparametric regression., Comment: Guohao Shen and Yuling Jiao contributed equally to this work. Corresponding authors: Yuanyuan Lin (Email: ylin@sta.cuhk.edu.hk) and Jian Huang (Email: jian-huang@uiowa.edu). arXiv admin note: substantial text overlap with arXiv:2104.06708

This paper considers the problem of nonparametric quantile regression under the assumption that the target conditional quantile function is a composition of a sequence of low-dimensional functions. We study the nonparametric quantile regression estimator using deep neural networks to approximate the target conditional quantile function. For convenience, we shall refer to such an estimator as a deep quantile regression (DQR) estimator. We show that the DQR estimator achieves the nonparametric optimal convergence rate up to a logarithmic factor determined by the intrinsic dimension of the underlying compositional structure of the conditional quantile function, not the ambient dimension of the predictor. Therefore, DQR is able to mitigate the curse of dimensionality under the assumption that the conditional quantile function has a compositional structure. To establish these results, we analyze the approximation error of a composite function by neural networks and show that the error rate only depends on the dimensions of the component functions. We apply our general results to several important statistical models often used in mitigating the curse of dimensionality, including the single index, the additive, the projection pursuit, the univariate composite, and the generalized hierarchical interaction models. We explicitly describe the prefactors in the error bounds in terms of the dimensionality of the data and show that the prefactors depends on the dimensionality linearly or quadratically in these models. We also conduct extensive numerical experiments to evaluate the effectiveness of DQR and demonstrate that it outperforms a kernel-based method for nonparametric quantile regression., Comment: Guohao Shen and Yuling Jiao contributed equally to this work. Co-corresponding authors: Yuanyuan Lin (email: ylin@sta.cuhk.edu.hk) and Jian Huang (email: jian-huang@uiowa.edu)

Schr\"{o}dinger-F\"{o}llmer sampler (SFS) is a novel and efficient approach for sampling from possibly unnormalized distributions without ergodicity. SFS is based on the Euler-Maruyama discretization of Schr\"{o}dinger-F\"{o}llmer diffusion process $$\mathrm{d} X_{t}=-\nabla U\left(X_t, t\right) \mathrm{d} t+\mathrm{d} B_{t}, \quad t \in[0,1],\quad X_0=0$$ on the unit interval, which transports the degenerate distribution at time zero to the target distribution at time one. In \cite{sfs21}, the consistency of SFS is established under a restricted assumption that %the drift term $b(x,t)$ the potential $U(x,t)$ is uniformly (on $t$) strongly %concave convex (on $x$). In this paper we provide a nonasymptotic error bound of SFS in Wasserstein distance under some smooth and bounded conditions on the density ratio of the target distribution over the standard normal distribution, but without requiring the strongly convexity of the potential., Comment: arXiv admin note: text overlap with arXiv:2106.10880