We present LazyDINO, a transport map variational inference method for fast, scalable, and efficiently amortized solutions of high-dimensional nonlinear Bayesian inverse problems with expensive parameter-to-observable (PtO) maps. Our method consists of an offline phase in which we construct a derivative-informed neural surrogate of the PtO map using joint samples of the PtO map and its Jacobian. During the online phase, when given observational data, we seek rapid posterior approximation using surrogate-driven training of a lazy map [Brennan et al., NeurIPS, (2020)], i.e., a structure-exploiting transport map with low-dimensional nonlinearity. The trained lazy map then produces approximate posterior samples or density evaluations. Our surrogate construction is optimized for amortized Bayesian inversion using lazy map variational inference. We show that (i) the derivative-based reduced basis architecture [O'Leary-Roseberry et al., Comput. Methods Appl. Mech. Eng., 388 (2022)] minimizes the upper bound on the expected error in surrogate posterior approximation, and (ii) the derivative-informed training formulation [O'Leary-Roseberry et al., J. Comput. Phys., 496 (2024)] minimizes the expected error due to surrogate-driven transport map optimization. Our numerical results demonstrate that LazyDINO is highly efficient in cost amortization for Bayesian inversion. We observe one to two orders of magnitude reduction of offline cost for accurate posterior approximation, compared to simulation-based amortized inference via conditional transport and conventional surrogate-driven transport. In particular, LazyDINO outperforms Laplace approximation consistently using fewer than 1000 offline samples, while other amortized inference methods struggle and sometimes fail at 16,000 offline samples.

Continually evaluating large generative models provides a unique challenge. Often, human annotations are necessary to evaluate high-level properties of these models (e.g. in text or images). However, collecting human annotations of samples can be resource intensive, and using other machine learning systems to provide the annotations, or automatic evaluation, can introduce systematic errors into the evaluation. The Prediction Powered Inference (PPI) framework provides a way of leveraging both the statistical power of automatic evaluation and a small pool of labelled data to produce a low-variance, unbiased estimate of the quantity being evaluated for. However, most work on PPI considers a relatively sizable set of labelled samples, which is not always practical to obtain. To this end, we present two new PPI-based techniques that leverage robust regressors to produce even lower variance estimators in the few-label regime.

The predict-then-optimize (PTO) framework is indispensable for addressing practical stochastic decision-making tasks. It consists of two crucial steps: initially predicting unknown parameters of an optimization model and subsequently solving the problem based on these predictions. Elmachtoub and Grigas [1] introduced the Smart Predict-then-Optimize (SPO) loss for the framework, which gauges the decision error arising from predicted parameters, and a convex surrogate, the SPO+ loss, which incorporates the underlying structure of the optimization model. The consistency of these different loss functions is guaranteed under the assumption of i.i.d. training data. Nevertheless, various types of data are often dependent, such as power load fluctuations over time. This dependent nature can lead to diminished model performance in testing or real-world applications. Motivated to make intelligent predictions for time series data, we present an autoregressive SPO method directly targeting the optimization problem at the decision stage in this paper, where the conditions of consistency are no longer met. Therefore, we first analyze the generalization bounds of the SPO loss within our autoregressive model. Subsequently, the uniform calibration results in Liu and Grigas [2] are extended in the proposed model. Finally, we conduct experiments to empirically demonstrate the effectiveness of the SPO+ surrogate compared to the absolute loss and the least squares loss, especially when the cost vectors are determined by stationary dynamical systems and demonstrate the relationship between normalized regret and mixing coefficients.

Statistical process monitoring (SPM) methods are essential tools in quality management to check the stability of industrial processes, i.e., to dynamically classify the process state as in control (IC), under normal operating conditions, or out of control (OC), otherwise. Traditional SPM methods are based on unsupervised approaches, which are popular because in most industrial applications the true OC states of the process are not explicitly known. This hampered the development of supervised methods that could instead take advantage of process data containing labels on the true process state, although they still need improvement in dealing with class imbalance, as OC states are rare in high-quality processes, and the dynamic recognition of unseen classes, e.g., the number of possible OC states. This article presents a novel stream-based active learning strategy for SPM that enhances partially hidden Markov models to deal with data streams. The ultimate goal is to optimize labeling resources constrained by a limited budget and dynamically update the possible OC states. The proposed method performance in classifying the true state of the process is assessed through a simulation and a case study on the SPM of a resistance spot welding process in the automotive industry, which motivated this research.

We develop a new approach for clustering non-spherical (i.e., arbitrary component covariances) Gaussian mixture models via a subroutine, based on the sum-of-squares method, that finds a low-dimensional separation-preserving projection of the input data. Our method gives a non-spherical analog of the classical dimension reduction, based on singular value decomposition, that forms a key component of the celebrated spherical clustering algorithm of Vempala and Wang [VW04] (in addition to several other applications). As applications, we obtain an algorithm to (1) cluster an arbitrary total-variation separated mixture of $k$ centered (i.e., zero-mean) Gaussians with $n\geq \operatorname{poly}(d) f(w_{\min}^{-1})$ samples and $\operatorname{poly}(n)$ time, and (2) cluster an arbitrary total-variation separated mixture of $k$ Gaussians with identical but arbitrary unknown covariance with $n \geq d^{O(\log w_{\min}^{-1})} f(w_{\min}^{-1})$ samples and $n^{O(\log w_{\min}^{-1})}$ time. Here, $w_{\min}$ is the minimum mixing weight of the input mixture, and $f$ does not depend on the dimension $d$. Our algorithms naturally extend to tolerating a dimension-independent fraction of arbitrary outliers. Before this work, the techniques in the state-of-the-art non-spherical clustering algorithms needed $d^{O(k)} f(w_{\min}^{-1})$ time and samples for clustering such mixtures. Our results may come as a surprise in the context of the $d^{\Omega(k)}$ statistical query lower bound [DKS17] for clustering non-spherical Gaussian mixtures. While this result is usually thought to rule out $d^{o(k)}$ cost algorithms for the problem, our results show that the lower bounds can in fact be circumvented for a remarkably general class of Gaussian mixtures.

Despite the dominant role of deep models in machine learning, limitations persist, including overconfident predictions, susceptibility to adversarial attacks, and underestimation of variability in predictions. The Bayesian paradigm provides a natural framework to overcome such issues and has become the gold standard for uncertainty estimation with deep models, also providing improved accuracy and a framework for tuning critical hyperparameters. However, exact Bayesian inference is challenging, typically involving variational algorithms that impose strong independence and distributional assumptions. Moreover, existing methods are sensitive to the architectural choice of the network. We address these issues by constructing a relaxed version of the standard feed-forward rectified neural network, and employing Polya-Gamma data augmentation tricks to render a conditionally linear and Gaussian model. Additionally, we use sparsity-promoting priors on the weights of the neural network for data-driven architectural design. To approximate the posterior, we derive a variational inference algorithm that avoids distributional assumptions and independence across layers and is a faster alternative to the usual Markov Chain Monte Carlo schemes.

By the end of 2023, renewable sources cover 63.4% of the total electric power demand of Chile, and in line with the global trend, photovoltaic (PV) power shows the most dynamic increase. Although Chile's Atacama Desert is considered the sunniest place on Earth, PV power production, even in this area, can be highly volatile. Successful integration of PV energy into the country's power grid requires accurate short-term PV power forecasts, which can be obtained from predictions of solar irradiance and related weather quantities. Nowadays, in weather forecasting, the state-of-the-art approach is the use of ensemble forecasts based on multiple runs of numerical weather prediction models. However, ensemble forecasts still tend to be uncalibrated or biased, thus requiring some form of post-processing. The present work investigates probabilistic forecasts of solar irradiance for Regions III and IV in Chile. For this reason, 8-member short-term ensemble forecasts of solar irradiance for calendar year 2021 are generated using the Weather Research and Forecasting (WRF) model, which are then calibrated using the benchmark ensemble model output statistics (EMOS) method based on a censored Gaussian law, and its machine learning-based distributional regression network (DRN) counterpart. Furthermore, we also propose a neural network-based post-processing method resulting in improved 8-member ensemble predictions. All forecasts are evaluated against station observations for 30 locations, and the skill of post-processed predictions is compared to the raw WRF ensemble. Our case study confirms that all studied post-processing methods substantially improve both the calibration of probabilistic- and the accuracy of point forecasts. Among the methods tested, the corrected ensemble exhibits the best overall performance. Additionally, the DRN model generally outperforms the corresponding EMOS approach.

We propose and study a minimalist approach towards synthetic tabular data generation. The model consists of a minimalistic unsupervised SparsePCA encoder (with contingent clustering step or log transformation to handle nonlinearity) and XGboost decoder which is SOTA for structured data regression and classification tasks. We study and contrast the methodologies with (variational) autoencoders in several toy low dimensional scenarios to derive necessary intuitions. The framework is applied to high dimensional simulated credit scoring data which parallels real-life financial applications. We applied the method to robustness testing to demonstrate practical use cases. The case study result suggests that the method provides an alternative to raw and quantile perturbation for model robustness testing. We show that the method is simplistic, guarantees interpretability all the way through, does not require extra tuning and provide unique benefits.

This paper investigates the roles of gradient normalization and clipping in ensuring the convergence of Stochastic Gradient Descent (SGD) under heavy-tailed noise. While existing approaches consider gradient clipping indispensable for SGD convergence, we theoretically demonstrate that gradient normalization alone without clipping is sufficient to ensure convergence. Furthermore, we establish that combining gradient normalization with clipping offers significantly improved convergence rates compared to using either technique in isolation, notably as gradient noise diminishes. With these results, our work provides the first theoretical evidence demonstrating the benefits of gradient normalization in SGD under heavy-tailed noise. Finally, we introduce an accelerated SGD variant incorporating gradient normalization and clipping, further enhancing convergence rates under heavy-tailed noise.

Accurate time series forecasting, predicting future values based on past data, is crucial for diverse industries. Many current time series methods decompose time series into multiple sub-series, applying different model architectures and training with an end-to-end overall loss for forecasting. However, this raises a question: does this overall loss prioritize the importance of critical sub-series within the decomposition for the better performance? To investigate this, we conduct a study on the impact of overall loss on existing time series methods with sequence decomposition. Our findings reveal that overall loss may introduce bias in model learning, hindering the learning of the prioritization of more significant sub-series and limiting the forecasting performance. To address this, we propose a hybrid loss framework combining the global and component losses. This framework introduces component losses for each sub-series alongside the original overall loss. It employs a dual min-max algorithm to dynamically adjust weights between the overall loss and component losses, and within component losses. This enables the model to achieve better performance of current time series methods by focusing on more critical sub-series while still maintaining a low overall loss. We integrate our loss framework into several time series methods and evaluate the performance on multiple datasets. Results show an average improvement of 0.5-2% over existing methods without any modifications to the model architectures.