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We derive a posteriori error estimates for a fully discrete time-implicit finite element approximation of the stochastic total variaton flow (STVF) with additive space time noise. The estimates are first derived for an implementable fully discrete approximation of a regularized stochastic total variation flow. We then show that the derived a posteriori estimates remain valid for the unregularized flow up to a perturbation term that can be controlled by the regularization parameter. Based on the derived a posteriori estimates we propose a pathwise algorithm for the adaptive space-time refinement and perform numerical simulation for the regularized STVF to demonstrate the behavior of the proposed algorithm.

Nonlinear metrics, such as the F1-score, Matthews correlation coefficient, and Fowlkes-Mallows index, are often used to evaluate the performance of machine learning models, in particular, when facing imbalanced datasets that contain more samples of one class than the other. Recent optimal decision tree algorithms have shown remarkable progress in producing trees that are optimal with respect to linear criteria, such as accuracy, but unfortunately nonlinear metrics remain a challenge. To address this gap, we propose a novel algorithm based on bi-objective optimisation, which treats misclassifications of each binary class as a separate objective. We show that, for a large class of metrics, the optimal tree lies on the Pareto frontier. Consequently, we obtain the optimal tree by using our method to generate the set of all nondominated trees. To the best of our knowledge, this is the first method to compute provably optimal decision trees for nonlinear metrics. Our approach leads to a trade-off when compared to optimising linear metrics: the resulting trees may be more desirable according to the given nonlinear metric at the expense of higher runtimes. Nevertheless, the experiments illustrate that runtimes are reasonable for majority of the tested datasets.

Implicit Processes (IPs) are flexible priors that can describe models such as Bayesian neural networks, neural samplers and data generators. IPs allow for approximate inference in function-space. This avoids some degenerate problems of parameter-space approximate inference due to the high number of parameters and strong dependencies. For this, an extra IP is often used to approximate the posterior of the prior IP. However, simultaneously adjusting the parameters of the prior IP and the approximate posterior IP is a challenging task. Existing methods that can tune the prior IP result in a Gaussian predictive distribution, which fails to capture important data patterns. By contrast, methods producing flexible predictive distributions by using another IP to approximate the posterior process cannot fit the prior IP to the observed data. We propose here a method that can carry out both tasks. For this, we rely on an inducing-point representation of the prior IP, as often done in the context of sparse Gaussian processes. The result is a scalable method for approximate inference with IPs that can tune the prior IP parameters to the data, and that provides accurate non-Gaussian predictive distributions.

We study the problem of estimating a rank-$1$ signal in the presence of rotationally invariant noise-a class of perturbations more general than Gaussian noise. Principal Component Analysis (PCA) provides a natural estimator, and sharp results on its performance have been obtained in the high-dimensional regime. Recently, an Approximate Message Passing (AMP) algorithm has been proposed as an alternative estimator with the potential to improve the accuracy of PCA. However, the existing analysis of AMP requires an initialization that is both correlated with the signal and independent of the noise, which is often unrealistic in practice. In this work, we combine the two methods, and propose to initialize AMP with PCA. Our main result is a rigorous asymptotic characterization of the performance of this estimator. Both the AMP algorithm and its analysis differ from those previously derived in the Gaussian setting: at every iteration, our AMP algorithm requires a specific term to account for PCA initialization, while in the Gaussian case, PCA initialization affects only the first iteration of AMP. The proof is based on a two-phase artificial AMP that first approximates the PCA estimator and then mimics the true AMP. Our numerical simulations show an excellent agreement between AMP results and theoretical predictions, and suggest an interesting open direction on achieving Bayes-optimal performance.

We investigate the computational performance of Artificial Neural Networks (ANNs) in semi-nonparametric instrumental variables (NPIV) models of high dimensional covariates that are relevant to empirical work in economics. We focus on efficient estimation of and inference on expectation functionals (such as weighted average derivatives) and use optimal criterion-based procedures (sieve minimum distance or SMD) and novel efficient score-based procedures (ES). Both these procedures use ANN to approximate the unknown function. Then, we provide a detailed practitioner's recipe for implementing these two classes of estimators. This involves the choice of tuning parameters both for the unknown functions (that include conditional expectations) but also for the choice of estimation of the optimal weights in SMD and the Riesz representers used with the ES estimators. Finally, we conduct a large set of Monte Carlo experiments that compares the finite-sample performance in complicated designs that involve a large set of regressors (up to 13 continuous), and various underlying nonlinearities and covariate correlations. Some of the takeaways from our results include: 1) tuning and optimization are delicate especially as the problem is nonconvex; 2) various architectures of the ANNs do not seem to matter for the designs we consider and given proper tuning, ANN methods perform well; 3) stable inferences are more difficult to achieve with ANN estimators; 4) optimal SMD based estimators perform adequately; 5) there seems to be a gap between implementation and approximation theory. Finally, we apply ANN NPIV to estimate average price elasticity and average derivatives in two demand examples.

Spatio-temporal processes in environmental applications are often assumed to follow a Gaussian model, possibly after some transformation. However, heterogeneity in space and time might have a pattern that will not be accommodated by transforming the data. In this scenario, modelling the variance laws is an appealing alternative. This work adds flexibility to the usual Multivariate Dynamic Gaussian model by defining the process as a scale mixture between a Gaussian and log-Gaussian processes. The scale is represented by a process varying smoothly over space and time which is allowed to depend on covariates. State-space equations define the dynamics over time for both mean and variance processes resulting infeasible inference and prediction. Analysis of artificial datasets show that the parameters are identifiable and simpler models are well recovered by the general proposed model. The analyses of two important environmental processes, maximum temperature and maximum ozone, illustrate the effectiveness of our proposal in improving the uncertainty quantification in the prediction of spatio-temporal processes.

In this paper, we study the statistical limits of deep learning techniques for solving elliptic partial differential equations (PDEs) from random samples using the Deep Ritz Method (DRM) and Physics-Informed Neural Networks (PINNs). To simplify the problem, we focus on a prototype elliptic PDE: the Schr\"odinger equation on a hypercube with zero Dirichlet boundary condition, which has wide application in the quantum-mechanical systems. We establish upper and lower bounds for both methods, which improves upon concurrently developed upper bounds for this problem via a fast rate generalization bound. We discover that the current Deep Ritz Methods is sub-optimal and propose a modified version of it. We also prove that PINN and the modified version of DRM can achieve minimax optimal bounds over Sobolev spaces. Empirically, following recent work which has shown that the deep model accuracy will improve with growing training sets according to a power law, we supply computational experiments to show a similar behavior of dimension dependent power law for deep PDE solvers.

Deep neural networks can be roughly divided into deterministic neural networks and stochastic neural networks.The former is usually trained to achieve a mapping from input space to output space via maximum likelihood estimation for the weights, which leads to deterministic predictions during testing. In this way, a specific weights set is estimated while ignoring any uncertainty that may occur in the proper weight space. The latter introduces randomness into the framework, either by assuming a prior distribution over model parameters (i.e. Bayesian Neural Networks) or including latent variables (i.e. generative models) to explore the contribution of latent variables for model predictions, leading to stochastic predictions during testing. Different from the former that achieves point estimation, the latter aims to estimate the prediction distribution, making it possible to estimate uncertainty, representing model ignorance about its predictions. We claim that conventional deterministic neural network based dense prediction tasks are prone to overfitting, leading to over-confident predictions, which is undesirable for decision making. In this paper, we investigate stochastic neural networks and uncertainty estimation techniques to achieve both accurate deterministic prediction and reliable uncertainty estimation. Specifically, we work on two types of uncertainty estimations solutions, namely ensemble based methods and generative model based methods, and explain their pros and cons while using them in fully/semi/weakly-supervised framework. Due to the close connection between uncertainty estimation and model calibration, we also introduce how uncertainty estimation can be used for deep model calibration to achieve well-calibrated models, namely dense model calibration. Code and data are available at //github.com/JingZhang617/UncertaintyEstimation.

We present R-LINS, a lightweight robocentric lidar-inertial state estimator, which estimates robot ego-motion using a 6-axis IMU and a 3D lidar in a tightly-coupled scheme. To achieve robustness and computational efficiency even in challenging environments, an iterated error-state Kalman filter (ESKF) is designed, which recursively corrects the state via repeatedly generating new corresponding feature pairs. Moreover, a novel robocentric formulation is adopted in which we reformulate the state estimator concerning a moving local frame, rather than a fixed global frame as in the standard world-centric lidar-inertial odometry(LIO), in order to prevent filter divergence and lower computational cost. To validate generalizability and long-time practicability, extensive experiments are performed in indoor and outdoor scenarios. The results indicate that R-LINS outperforms lidar-only and loosely-coupled algorithms, and achieve competitive performance as the state-of-the-art LIO with close to an order-of-magnitude improvement in terms of speed.

Implicit probabilistic models are models defined naturally in terms of a sampling procedure and often induces a likelihood function that cannot be expressed explicitly. We develop a simple method for estimating parameters in implicit models that does not require knowledge of the form of the likelihood function or any derived quantities, but can be shown to be equivalent to maximizing likelihood under some conditions. Our result holds in the non-asymptotic parametric setting, where both the capacity of the model and the number of data examples are finite. We also demonstrate encouraging experimental results.