It is well-known that the statistical performance of Lasso can suffer significantly when the covariates of interest have strong correlations. In particular, the prediction error of Lasso becomes much worse than computationally inefficient alternatives like Best Subset Selection. Due to a large conjectured computational-statistical tradeoff in the problem of sparse linear regression, it may be impossible to close this gap in general. In this work, we propose a natural sparse linear regression setting where strong correlations between covariates arise from unobserved latent variables. In this setting, we analyze the problem caused by strong correlations and design a surprisingly simple fix. While Lasso with standard normalization of covariates fails, there exists a heterogeneous scaling of the covariates with which Lasso will suddenly obtain strong provable guarantees for estimation. Moreover, we design a simple, efficient procedure for computing such a "smart scaling." The sample complexity of the resulting "rescaled Lasso" algorithm incurs (in the worst case) quadratic dependence on the sparsity of the underlying signal. While this dependence is not information-theoretically necessary, we give evidence that it is optimal among the class of polynomial-time algorithms, via the method of low-degree polynomials. This argument reveals a new connection between sparse linear regression and a special version of sparse PCA with a near-critical negative spike. The latter problem can be thought of as a real-valued analogue of learning a sparse parity. Using it, we also establish the first computational-statistical gap for the closely related problem of learning a Gaussian Graphical Model.

Semi-supervised learning has received increasingly attention in statistics and machine learning. In semi-supervised learning settings, a labeled data set with both outcomes and covariates and an unlabeled data set with covariates only are collected. We consider an inference problem in semi-supervised settings where the outcome in the labeled data is binary and the labeled data is collected by case-control sampling. Case-control sampling is an effective sampling scheme for alleviating imbalance structure in binary data. Under the logistic model assumption, case-control data can still provide consistent estimator for the slope parameter of the regression model. However, the intercept parameter is not identifiable. Consequently, the marginal case proportion cannot be estimated from case-control data. We find out that with the availability of the unlabeled data, the intercept parameter can be identified in semi-supervised learning setting. We construct the likelihood function of the observed labeled and unlabeled data and obtain the maximum likelihood estimator via an iterative algorithm. The proposed estimator is shown to be consistent, asymptotically normal, and semiparametrically efficient. Extensive simulation studies are conducted to show the finite sample performance of the proposed method. The results imply that the unlabeled data not only helps to identify the intercept but also improves the estimation efficiency of the slope parameter. Meanwhile, the marginal case proportion can be estimated accurately by the proposed method.

The pursuit of direct model equation discovery has been an ongoing and significant area of interest in scientific machine learning. The popular sparse identification of nonlinear dynamics (SINDy) framework [1] offers a promising approach to extract parsimonious equations directly from data. SINDy's promotion of parsimony by sparse regression allows for the identification of an interpretable model that balances accuracy with generalizability, while its simplicity leads to a relatively efficient and fast learning process compared to other machine learning techniques. The framework has been successfully applied in a variety of applications, such as model idenficiation in plasma physics [2], control engineering [3, 4], biological transport problems [5], socio-cognitive systems [6], epidemiology [7, 8] and turbulence modelling [9]. Furthermore, its remarkable extendibility has attracted a range of modifications, including the adaptation to discover partial differential equations [10], the extension to libraries of rational functions [11], the integration of ensembling techniques to improve data efficiency [12] and the use of weak formulations [13, 14] to avoid noise amplification when computing derivatives from discrete data. One major difficulty in using scientific machine learning methods in fields such as biophysics, ecology, and microbiology, is that measured data from these fields is often noisy and scarce.

We consider a sequential decision making task, where the goal is to optimize an unknown function without evaluating parameters that violate an a~priori unknown (safety) constraint. A common approach is to place a Gaussian process prior on the unknown functions and allow evaluations only in regions that are safe with high probability. Most current methods rely on a discretization of the domain and cannot be directly extended to the continuous case. Moreover, the way in which they exploit regularity assumptions about the constraint introduces an additional critical hyperparameter. In this paper, we propose an information-theoretic safe exploration criterion that directly exploits the GP posterior to identify the most informative safe parameters to evaluate. The combination of this exploration criterion with a well known Bayesian optimization acquisition function yields a novel safe Bayesian optimization selection criterion. Our approach is naturally applicable to continuous domains and does not require additional explicit hyperparameters. We theoretically analyze the method and show that we do not violate the safety constraint with high probability and that we learn about the value of the safe optimum up to arbitrary precision. Empirical evaluations demonstrate improved data-efficiency and scalability.

The performance of stochastic gradient descent (SGD), which is the simplest first-order optimizer for training deep neural networks, depends on not only the learning rate but also the batch size. They both affect the number of iterations and the stochastic first-order oracle (SFO) complexity needed for training. In particular, the previous numerical results indicated that, for SGD using a constant learning rate, the number of iterations needed for training decreases when the batch size increases, and the SFO complexity needed for training is minimized at a critical batch size and that it increases once the batch size exceeds that size. Here, we study the relationship between batch size and the iteration and SFO complexities needed for nonconvex optimization in deep learning with SGD using constant or decaying learning rates and show that SGD using the critical batch size minimizes the SFO complexity. We also provide numerical comparisons of SGD with the existing first-order optimizers and show the usefulness of SGD using a critical batch size. Moreover, we show that measured critical batch sizes are close to the sizes estimated from our theoretical results.

Sampling from probability densities is a common challenge in fields such as Uncertainty Quantification (UQ) and Generative Modelling (GM). In GM in particular, the use of reverse-time diffusion processes depending on the log-densities of Ornstein-Uhlenbeck forward processes are a popular sampling tool. In Berner et al. [2022] the authors point out that these log-densities can be obtained by solution of a \textit{Hamilton-Jacobi-Bellman} (HJB) equation known from stochastic optimal control. While this HJB equation is usually treated with indirect methods such as policy iteration and unsupervised training of black-box architectures like Neural Networks, we propose instead to solve the HJB equation by direct time integration, using compressed polynomials represented in the Tensor Train (TT) format for spatial discretization. Crucially, this method is sample-free, agnostic to normalization constants and can avoid the curse of dimensionality due to the TT compression. We provide a complete derivation of the HJB equation's action on Tensor Train polynomials and demonstrate the performance of the proposed time-step-, rank- and degree-adaptive integration method on a nonlinear sampling task in 20 dimensions.

Regression analysis is a central topic in statistical modeling, aiming to estimate the relationships between a dependent variable, commonly referred to as the response variable, and one or more independent variables, i.e., explanatory variables. Linear regression is by far the most popular method for performing this task in several fields of research, such as prediction, forecasting, or causal inference. Beyond various classical methods to solve linear regression problems, such as Ordinary Least Squares, Ridge, or Lasso regressions - which are often the foundation for more advanced machine learning (ML) techniques - the latter have been successfully applied in this scenario without a formal definition of statistical significance. At most, permutation or classical analyses based on empirical measures (e.g., residuals or accuracy) have been conducted to reflect the greater ability of ML estimations for detection. In this paper, we introduce a method, named Statistical Agnostic Regression (SAR), for evaluating the statistical significance of an ML-based linear regression based on concentration inequalities of the actual risk using the analysis of the worst case. To achieve this goal, similar to the classification problem, we define a threshold to establish that there is sufficient evidence with a probability of at least 1-eta to conclude that there is a linear relationship in the population between the explanatory (feature) and the response (label) variables. Simulations in only two dimensions demonstrate the ability of the proposed agnostic test to provide a similar analysis of variance given by the classical $F$ test for the slope parameter.

Drawing causal inferences from observational studies (OS) requires unverifiable validity assumptions; however, one can falsify those assumptions by benchmarking the OS with experimental data from a randomized controlled trial (RCT). A major limitation of existing procedures is not accounting for censoring, despite the abundance of RCTs and OSes that report right-censored time-to-event outcomes. We consider two cases where censoring time (1) is independent of time-to-event and (2) depends on time-to-event the same way in OS and RCT. For the former, we adopt a censoring-doubly-robust signal for the conditional average treatment effect (CATE) to facilitate an equivalence test of CATEs in OS and RCT, which serves as a proxy for testing if the validity assumptions hold. For the latter, we show that the same test can still be used even though unbiased CATE estimation may not be possible. We verify the effectiveness of our censoring-aware tests via semi-synthetic experiments and analyze RCT and OS data from the Women's Health Initiative study.

Stein variational gradient descent (SVGD) is a prominent particle-based variational inference method used for sampling a target distribution. SVGD has attracted interest for application in machine-learning techniques such as Bayesian inference. In this paper, we propose novel trainable algorithms that incorporate a deep-learning technique called deep unfolding,into SVGD. This approach facilitates the learning of the internal parameters of SVGD, thereby accelerating its convergence speed. To evaluate the proposed trainable SVGD algorithms, we conducted numerical simulations of three tasks: sampling a one-dimensional Gaussian mixture, performing Bayesian logistic regression, and learning Bayesian neural networks. The results show that our proposed algorithms exhibit faster convergence than the conventional variants of SVGD.

This work introduces reduced models based on Continuous Low Rank Adaptation (CoLoRA) that pre-train neural networks for a given partial differential equation and then continuously adapt low-rank weights in time to rapidly predict the evolution of solution fields at new physics parameters and new initial conditions. The adaptation can be either purely data-driven or via an equation-driven variational approach that provides Galerkin-optimal approximations. Because CoLoRA approximates solution fields locally in time, the rank of the weights can be kept small, which means that only few training trajectories are required offline so that CoLoRA is well suited for data-scarce regimes. Predictions with CoLoRA are orders of magnitude faster than with classical methods and their accuracy and parameter efficiency is higher compared to other neural network approaches.