The increasing reliance on numerical methods for controlling dynamical systems and training machine learning models underscores the need to devise algorithms that dependably and efficiently navigate complex optimization landscapes. Classical gradient descent methods offer strong theoretical guarantees for convex problems; however, they demand meticulous hyperparameter tuning for non-convex ones. The emerging paradigm of learning to optimize (L2O) automates the discovery of algorithms with optimized performance leveraging learning models and data - yet, it lacks a theoretical framework to analyze convergence and robustness of the learned algorithms. In this paper, we fill this gap by harnessing nonlinear system theory. Specifically, we propose an unconstrained parametrization of all convergent algorithms for smooth non-convex objective functions. Notably, our framework is directly compatible with automatic differentiation tools, ensuring convergence by design while learning to optimize.
Deep learning models can exhibit what appears to be a sudden ability to solve a new problem as training time ($T$), training data ($D$), or model size ($N$) increases, a phenomenon known as emergence. In this paper, we present a framework where each new ability (a skill) is represented as a basis function. We solve a simple multi-linear model in this skill-basis, finding analytic expressions for the emergence of new skills, as well as for scaling laws of the loss with training time, data size, model size, and optimal compute ($C$). We compare our detailed calculations to direct simulations of a two-layer neural network trained on multitask sparse parity, where the tasks in the dataset are distributed according to a power-law. Our simple model captures, using a single fit parameter, the sigmoidal emergence of multiple new skills as training time, data size or model size increases in the neural network.
Compositional data arise in many areas of research in the natural and biomedical sciences. One prominent example is in the study of the human gut microbiome, where one can measure the relative abundance of many distinct microorganisms in a subject's gut. Often, practitioners are interested in learning how the dependencies between microbes vary across distinct populations or experimental conditions. In statistical terms, the goal is to estimate a covariance matrix for the (latent) log-abundances of the microbes in each of the populations. However, the compositional nature of the data prevents the use of standard estimators for these covariance matrices. In this article, we propose an estimator of multiple covariance matrices which allows for information sharing across distinct populations of samples. Compared to some existing estimators, which estimate the covariance matrices of interest indirectly, our estimator is direct, ensures positive definiteness, and is the solution to a convex optimization problem. We compute our estimator using a proximal-proximal gradient descent algorithm. Asymptotic properties of our estimator reveal that it can perform well in high-dimensional settings. Through simulation studies, we demonstrate that our estimator can outperform existing estimators. We show that our method provides more reliable estimates than competitors in an analysis of microbiome data from subjects with chronic fatigue syndrome.
Incomplete factorizations have long been popular general-purpose algebraic preconditioners for solving large sparse linear systems of equations. Guaranteeing the factorization is breakdown free while computing a high quality preconditioner is challenging. A resurgence of interest in using low precision arithmetic makes the search for robustness more urgent and tougher. In this paper, we focus on symmetric positive definite problems and explore a number of approaches: a look-ahead strategy to anticipate break down as early as possible, the use of global shifts, and a modification of an idea developed in the field of numerical optimization for the complete Cholesky factorization of dense matrices. Our numerical simulations target highly ill-conditioned sparse linear systems with the goal of computing the factors in half precision arithmetic and then achieving double precision accuracy using mixed precision refinement.
We describe two families of statistical tests to detect partial correlation in vectorial timeseries. The tests measure whether an observed timeseries Y can be predicted from a second series X, even after accounting for a third series Z which may correlate with X. They do not make any assumptions on the nature of these timeseries, such as stationarity or linearity, but they do require that multiple statistically independent recordings of the 3 series are available. Intuitively, the tests work by asking if the series Y recorded on one experiment can be better predicted from X recorded on the same experiment than on a different experiment, after accounting for the prediction from Z recorded on both experiments.
Widely available measurement equipment in electrical distribution grids, such as power-quality measurement devices, substation meters, or customer smart meters do not provide phasor measurements due to the lack of high resolution time synchronisation. Instead such measurement devices allow to obtain magnitudes of voltages and currents and the local phase angle between those. In addition, these measurements are subject to measurement errors of up to few percent of the measurand. In order to utilize such measurements for grid monitoring, this paper presents and assesses a stochastic grid calculation approach that allows to derive confidence regions for the resulting current and voltage phasors. Two different metering models are introduced: a PMU model, which is used to validate theoretical properties of the estimator, and an Electric Meter model for which a Gaussian approximation is introduced. The estimator results are compared for the two meter models and case study results for a real Danish distribution grid are presented.
Even though novel imaging techniques have been successful in studying brain structure and function, the measured biological signals are often contaminated by multiple sources of noise, arising due to e.g. head movements of the individual being scanned, limited spatial/temporal resolution, or other issues specific to each imaging technology. Data preprocessing (e.g. denoising) is therefore critical. Preprocessing pipelines have become increasingly complex over the years, but also more flexible, and this flexibility can have a significant impact on the final results and conclusions of a given study. This large parameter space is often referred to as multiverse analyses. Here, we provide conceptual and practical tools for statistical analyses that can aggregate multiple pipeline results along with a new sensitivity analysis testing for hypotheses across pipelines such as "no effect across all pipelines" or "at least one pipeline with no effect". The proposed framework is generic and can be applied to any multiverse scenario, but we illustrate its use based on positron emission tomography data.
Recent advances unveiled physical neural networks as promising machine learning platforms, offering faster and more energy-efficient information processing. Compared with extensively-studied optical neural networks, the development of mechanical neural networks (MNNs) remains nascent and faces significant challenges, including heavy computational demands and learning with approximate gradients. Here, we introduce the mechanical analogue of in situ backpropagation to enable highly efficient training of MNNs. We demonstrate that the exact gradient can be obtained locally in MNNs, enabling learning through their immediate vicinity. With the gradient information, we showcase the successful training of MNNs for behavior learning and machine learning tasks, achieving high accuracy in regression and classification. Furthermore, we present the retrainability of MNNs involving task-switching and damage, demonstrating the resilience. Our findings, which integrate the theory for training MNNs and experimental and numerical validations, pave the way for mechanical machine learning hardware and autonomous self-learning material systems.
A novel strategy is proposed for the coupling of field and circuit equations when modeling power devices in the low-frequency regime. The resulting systems of differential-algebraic equations have a particular geometric structure which explicitly encodes the energy storage, dissipation, and transfer mechanisms. This implies a power balance on the continuous level which can be preserved under appropriate discretization in space and time. The models and main results are presented in detail for linear constitutive models, but the extension to nonlinear elements and more general coupling mechanisms is possible. The theoretical findings are demonstrated by numerical results.
Deep learning methods are increasingly becoming instrumental as modeling tools in computational neuroscience, employing optimality principles to build bridges between neural responses and perception or behavior. Developing models that adequately represent uncertainty is however challenging for deep learning methods, which often suffer from calibration problems. This constitutes a difficulty in particular when modeling cortical circuits in terms of Bayesian inference, beyond single point estimates such as the posterior mean or the maximum a posteriori. In this work we systematically studied uncertainty representations in latent representations of variational auto-encoders (VAEs), both in a perceptual task from natural images and in two other canonical tasks of computer vision, finding a poor alignment between uncertainty and informativeness or ambiguities in the images. We next showed how a novel approach which we call explaining-away variational auto-encoders (EA-VAEs), fixes these issues, producing meaningful reports of uncertainty in a variety of scenarios, including interpolation, image corruption, and even out-of-distribution detection. We show EA-VAEs may prove useful both as models of perception in computational neuroscience and as inference tools in computer vision.
We derive information-theoretic generalization bounds for supervised learning algorithms based on the information contained in predictions rather than in the output of the training algorithm. These bounds improve over the existing information-theoretic bounds, are applicable to a wider range of algorithms, and solve two key challenges: (a) they give meaningful results for deterministic algorithms and (b) they are significantly easier to estimate. We show experimentally that the proposed bounds closely follow the generalization gap in practical scenarios for deep learning.