In the context of the high-dimensional Gaussian linear regression for ordered variables, we study the variable selection procedure via the minimization of the penalized least-squares criterion. We focus on model selection where the penalty function depends on an unknown multiplicative constant commonly calibrated for prediction. We propose a new proper calibration of this hyperparameter to simultaneously control predictive risk and false discovery rate. We obtain non-asymptotic theoretical bounds on the False Discovery Rate with respect to the hyperparameter and we provide an algorithm to calibrate it. It is based on completely observable quantities in view of applications. Our algorithm is validated by an extensive simulation study and is compared with some existing variable selection procedures. Finally, we propose a study to generalize our approach in complete variable selection.
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Current physics-informed (standard or operator) neural networks still rely on accurately learning the initial conditions of the system they are solving. In contrast, standard numerical methods evolve such initial conditions without needing to learn these. In this study, we propose to improve current physics-informed deep learning strategies such that initial conditions do not need to be learned and are represented exactly in the predicted solution. Moreover, this method guarantees that when a DeepONet is applied multiple times to time step a solution, the resulting function is continuous.
In the present paper we introduce new optimization algorithms for the task of density ratio estimation. More precisely, we consider extending the well-known KMM method using the construction of a suitable loss function, in order to encompass more general situations involving the estimation of density ratio with respect to subsets of the training data and test data, respectively. The associated codes can be found at //github.com/CDAlecsa/Generalized-KMM.
Unveiling the underlying governing equations of nonlinear dynamic systems remains a significant challenge, especially when encountering noisy observations and no prior knowledge available. This study proposes R-DISCOVER, a framework designed to robustly uncover open-form partial differential equations (PDEs) from limited and noisy data. The framework operates through two alternating update processes: discovering and embedding. The discovering phase employs symbolic representation and a reinforcement learning (RL)-guided hybrid PDE generator to efficiently produce diverse open-form PDEs with tree structures. A neural network-based predictive model fits the system response and serves as the reward evaluator for the generated PDEs. PDEs with superior fits are utilized to iteratively optimize the generator via the RL method and the best-performing PDE is selected by a parameter-free stability metric. The embedding phase integrates the initially identified PDE from the discovering process as a physical constraint into the predictive model for robust training. The traversal of PDE trees automates the construction of the computational graph and the embedding process without human intervention. Numerical experiments demonstrate our framework's capability to uncover governing equations from nonlinear dynamic systems with limited and highly noisy data and outperform other physics-informed neural network-based discovery methods. This work opens new potential for exploring real-world systems with limited understanding.
Score-based methods for learning Bayesain networks(BN) aim to maximizing the global score functions. However, if local variables have direct and indirect dependence simultaneously, the global optimization on score functions misses edges between variables with indirect dependent relationship, of which scores are smaller than those with direct dependent relationship. In this paper, we present an identifiability condition based on a determined subset of parents to identify the underlying DAG. By the identifiability condition, we develop a two-phase algorithm namely optimal-tuning (OT) algorithm to locally amend the global optimization. In the optimal phase, an optimization problem based on first-order Hilbert-Schmidt independence criterion (HSIC) gives an estimated skeleton as the initial determined parents subset. In the tuning phase, the skeleton is locally tuned by deletion, addition and DAG-formalization strategies using the theoretically proved incremental properties of high-order HSIC. Numerical experiments for different synthetic datasets and real-world datasets show that the OT algorithm outperforms existing methods. Especially in Sigmoid Mix model with the size of the graph being ${\rm\bf d=40}$, the structure intervention distance (SID) of the OT algorithm is 329.7 smaller than the one obtained by CAM, which indicates that the graph estimated by the OT algorithm misses fewer edges compared with CAM.Source code of the OT algorithm is available at //github.com/YafeiannWang/optimal-tune-algorithm.
In this paper, we introduce the concept of fractional integration for spatial autoregressive models. We show that the range of the dependence can be spatially extended or diminished by introducing a further fractional integration parameter to spatial autoregressive moving average models (SARMA). This new model is called the spatial autoregressive fractionally integrated moving average model, briefly sp-ARFIMA. We show the relation to time-series ARFIMA models and also to (higher-order) spatial autoregressive models. Moreover, an estimation procedure based on the maximum-likelihood principle is introduced and analysed in a series of simulation studies. Eventually, the use of the model is illustrated by an empirical example of atmospheric fine particles, so-called aerosol optical thickness, which is important in weather, climate and environmental science.
The vast majority of reduced-order models (ROMs) first obtain a low dimensional representation of the problem from high-dimensional model (HDM) training data which is afterwards used to obtain a system of reduced complexity. Unfortunately, convection-dominated problems generally have a slowly decaying Kolmogorov n-width, which makes obtaining an accurate ROM built solely from training data very challenging. The accuracy of a ROM can be improved through enrichment with HDM solutions; however, due to the large computational expense of HDM evaluations for complex problems, they can only be used parsimoniously to obtain relevant computational savings. In this work, we exploit the local spatial and temporal coherence often exhibited by these problems to derive an accurate, cost-efficient approach that repeatedly combines HDM and ROM evaluations without a separate training phase. Our approach obtains solutions at a given time step by either fully solving the HDM or by combining partial HDM and ROM solves. A dynamic sampling procedure identifies regions that require the HDM solution for global accuracy and the reminder of the flow is reconstructed using the ROM. Moreover, solutions combining both HDM and ROM solves use spatial filtering to eliminate potential spurious oscillations that may develop. We test the proposed method on inviscid compressible flow problems and demonstrate speedups up to an order of magnitude.
This study focuses on the use of model and data fusion for improving the Spalart-Allmaras (SA) closure model for Reynolds-averaged Navier-Stokes solutions of separated flows. In particular, our goal is to develop of models that not-only assimilate sparse experimental data to improve performance in computational models, but also generalize to unseen cases by recovering classical SA behavior. We achieve our goals using data assimilation, namely the Ensemble Kalman Filtering approach (EnKF), to calibrate the coefficients of the SA model for separated flows. A holistic calibration strategy is implemented via a parameterization of the production, diffusion, and destruction terms. This calibration relies on the assimilation of experimental data collected velocity profiles, skin friction, and pressure coefficients for separated flows. Despite using of observational data from a single flow condition around a backward-facing step (BFS), the recalibrated SA model demonstrates generalization to other separated flows, including cases such as the 2D-bump and modified BFS. Significant improvement is observed in the quantities of interest, i.e., skin friction coefficient ($C_f$) and pressure coefficient ($C_p$) for each flow tested. Finally, it is also demonstrated that the newly proposed model recovers SA proficiency for external, unseparated flows, such as flow around a NACA-0012 airfoil without any danger of extrapolation, and that the individually calibrated terms in the SA model are targeted towards specific flow-physics wherein the calibrated production term improves the re-circulation zone while destruction improves the recovery zone.
In this paper, we derive explicit second-order necessary and sufficient optimality conditions of a local minimizer to an optimal control problem for a quasilinear second-order partial differential equation with a piecewise smooth but not differentiable nonlinearity in the leading term. The key argument rests on the analysis of level sets of the state. Specifically, we show that if a function vanishes on the boundary and its the gradient is different from zero on a level set, then this set decomposes into finitely many closed simple curves. Moreover, the level sets depend continuously on the functions defining these sets. We also prove the continuity of the integrals on the level sets. In particular, Green's first identity is shown to be applicable on an open set determined by two functions with nonvanishing gradients. In the second part to this paper, the explicit sufficient second-order conditions will be used to derive error estimates for a finite-element discretization of the control problem.
We consider the split-preconditioned FGMRES method in a mixed precision framework, in which four potentially different precisions can be used for computations with the coefficient matrix, application of the left preconditioner, application of the right preconditioner, and the working precision. Our analysis is applicable to general preconditioners. We obtain bounds on the backward and forward errors in split-preconditioned FGMRES. Our analysis further provides insight into how the various precisions should be chosen; under certain assumptions, a suitable selection guarantees a backward error on the order of the working precision.
Confounder selection, namely choosing a set of covariates to control for confounding between a treatment and an outcome, is arguably the most important step in the design of observational studies. Previous methods, such as Pearl's celebrated back-door criterion, typically require pre-specifying a causal graph, which can often be difficult in practice. We propose an interactive procedure for confounder selection that does not require pre-specifying the graph or the set of observed variables. This procedure iteratively expands the causal graph by finding what we call "primary adjustment sets" for a pair of possibly confounded variables. This can be viewed as inverting a sequence of latent projections of the underlying causal graph. Structural information in the form of primary adjustment sets is elicited from the user, bit by bit, until either a set of covariates are found to control for confounding or it can be determined that no such set exists. We show that if the user correctly specifies the primary adjustment sets in every step, our procedure is both sound and complete.
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