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Accurately modeling power distribution grids is crucial for designing effective monitoring and decision making algorithms. This paper addresses the partial observability issue of data-driven distribution modeling in order to improve the accuracy of line parameter estimation. Inspired by the sparse changes in residential loads, we advocate to regularize the group sparsity of the unobservable injections in a bi-linear estimation problem. The alternating minimization scheme of guaranteed convergence is proposed to take advantage of convex subproblems with efficient solutions. Numerical results using real-world load data on the single-phase equivalent of the IEEE 123-bus test case have demonstrated the accuracy improvements of the proposed solution over existing work for both parameter estimation and voltage modeling.

Pruning is a model compression method that removes redundant parameters in deep neural networks (DNNs) while maintaining accuracy. Most available filter pruning methods require complex treatments such as iterative pruning, features statistics/ranking, or additional optimization designs in the training process. In this paper, we propose a simple and effective regularization strategy from a new perspective of evolution of features, which we call feature flow regularization (FFR), for improving structured sparsity and filter pruning in DNNs. Specifically, FFR imposes controls on the gradient and curvature of feature flow along the neural network, which implicitly increases the sparsity of the parameters. The principle behind FFR is that coherent and smooth evolution of features will lead to an efficient network that avoids redundant parameters. The high structured sparsity obtained from FFR enables us to prune filters effectively. Experiments with VGGNets, ResNets on CIFAR-10/100, and Tiny ImageNet datasets demonstrate that FFR can significantly improve both unstructured and structured sparsity. Our pruning results in terms of reduction of parameters and FLOPs are comparable to or even better than those of state-of-the-art pruning methods.

This paper introduces, for the first time to our knowledge, physics-informed neural networks to accurately estimate the AC-OPF result and delivers rigorous guarantees about their performance. Power system operators, along with several other actors, are increasingly using Optimal Power Flow (OPF) algorithms for a wide number of applications, including planning and real-time operations. However, in its original form, the AC Optimal Power Flow problem is often challenging to solve as it is non-linear and non-convex. Besides the large number of approximations and relaxations, recent efforts have also been focusing on Machine Learning approaches, especially neural networks. So far, however, these approaches have only partially considered the wide number of physical models available during training. And, more importantly, they have offered no guarantees about potential constraint violations of their output. Our approach (i) introduces the AC power flow equations inside neural network training and (ii) integrates methods that rigorously determine and reduce the worst-case constraint violations across the entire input domain, while maintaining the optimality of the prediction. We demonstrate how physics-informed neural networks achieve higher accuracy and lower constraint violations than standard neural networks, and show how we can further reduce the worst-case violations for all neural networks.

Neural networks are increasingly used to estimate parameters in quantitative MRI, in particular in magnetic resonance fingerprinting. Their advantages over the gold standard non-linear least square fitting are their superior speed and their immunity to the non-convexity of many fitting problems. We find, however, that in heterogeneous parameter spaces, i.e. in spaces in which the variance of the estimated parameters varies considerably, good performance is hard to achieve and requires arduous tweaking of the loss function, hyper parameters, and the distribution of the training data in parameter space. Here, we address these issues with a theoretically well-founded loss function: the Cram\'er-Rao bound (CRB) provides a theoretical lower bound for the variance of an unbiased estimator and we propose to normalize the squared error with respective CRB. With this normalization, we balance the contributions of hard-to-estimate and not-so-hard-to-estimate parameters and areas in parameter space, and avoid a dominance of the former in the overall training loss. Further, the CRB-based loss function equals one for a maximally-efficient unbiased estimator, which we consider the ideal estimator. Hence, the proposed CRB-based loss function provides an absolute evaluation metric. We compare a network trained with the CRB-based loss with a network trained with the commonly used means squared error loss and demonstrate the advantages of the former in numerical, phantom, and in vivo experiments.

Deep learning has been widely used within learning algorithms for robotics. One disadvantage of deep networks is that these networks are black-box representations. Therefore, the learned approximations ignore the existing knowledge of physics or robotics. Especially for learning dynamics models, these black-box models are not desirable as the underlying principles are well understood and the standard deep networks can learn dynamics that violate these principles. To learn dynamics models with deep networks that guarantee physically plausible dynamics, we introduce physics-inspired deep networks that combine first principles from physics with deep learning. We incorporate Lagrangian mechanics within the model learning such that all approximated models adhere to the laws of physics and conserve energy. Deep Lagrangian Networks (DeLaN) parametrize the system energy using two networks. The parameters are obtained by minimizing the squared residual of the Euler-Lagrange differential equation. Therefore, the resulting model does not require specific knowledge of the individual system, is interpretable, and can be used as a forward, inverse, and energy model. Previously these properties were only obtained when using system identification techniques that require knowledge of the kinematic structure. We apply DeLaN to learning dynamics models and apply these models to control simulated and physical rigid body systems. The results show that the proposed approach obtains dynamics models that can be applied to physical systems for real-time control. Compared to standard deep networks, the physics-inspired models learn better models and capture the underlying structure of the dynamics.

Operator learning techniques have recently emerged as a powerful tool for learning maps between infinite-dimensional Banach spaces. Trained under appropriate constraints, they can also be effective in learning the solution operator of partial differential equations (PDEs) in an entirely self-supervised manner. In this work we analyze the training dynamics of deep operator networks (DeepONets) through the lens of Neural Tangent Kernel (NTK) theory, and reveal a bias that favors the approximation of functions with larger magnitudes. To correct this bias we propose to adaptively re-weight the importance of each training example, and demonstrate how this procedure can effectively balance the magnitude of back-propagated gradients during training via gradient descent. We also propose a novel network architecture that is more resilient to vanishing gradient pathologies. Taken together, our developments provide new insights into the training of DeepONets and consistently improve their predictive accuracy by a factor of 10-50x, demonstrated in the challenging setting of learning PDE solution operators in the absence of paired input-output observations. All code and data accompanying this manuscript are publicly available at \url{//github.com/PredictiveIntelligenceLab/ImprovedDeepONets.}

Non-convex optimization is ubiquitous in modern machine learning. Researchers devise non-convex objective functions and optimize them using off-the-shelf optimizers such as stochastic gradient descent and its variants, which leverage the local geometry and update iteratively. Even though solving non-convex functions is NP-hard in the worst case, the optimization quality in practice is often not an issue -- optimizers are largely believed to find approximate global minima. Researchers hypothesize a unified explanation for this intriguing phenomenon: most of the local minima of the practically-used objectives are approximately global minima. We rigorously formalize it for concrete instances of machine learning problems.

Self-training algorithms, which train a model to fit pseudolabels predicted by another previously-learned model, have been very successful for learning with unlabeled data using neural networks. However, the current theoretical understanding of self-training only applies to linear models. This work provides a unified theoretical analysis of self-training with deep networks for semi-supervised learning, unsupervised domain adaptation, and unsupervised learning. At the core of our analysis is a simple but realistic ``expansion'' assumption, which states that a low-probability subset of the data must expand to a neighborhood with large probability relative to the subset. We also assume that neighborhoods of examples in different classes have minimal overlap. We prove that under these assumptions, the minimizers of population objectives based on self-training and input-consistency regularization will achieve high accuracy with respect to ground-truth labels. By using off-the-shelf generalization bounds, we immediately convert this result to sample complexity guarantees for neural nets that are polynomial in the margin and Lipschitzness. Our results help explain the empirical successes of recently proposed self-training algorithms which use input consistency regularization.

Sampling methods (e.g., node-wise, layer-wise, or subgraph) has become an indispensable strategy to speed up training large-scale Graph Neural Networks (GNNs). However, existing sampling methods are mostly based on the graph structural information and ignore the dynamicity of optimization, which leads to high variance in estimating the stochastic gradients. The high variance issue can be very pronounced in extremely large graphs, where it results in slow convergence and poor generalization. In this paper, we theoretically analyze the variance of sampling methods and show that, due to the composite structure of empirical risk, the variance of any sampling method can be decomposed into \textit{embedding approximation variance} in the forward stage and \textit{stochastic gradient variance} in the backward stage that necessities mitigating both types of variance to obtain faster convergence rate. We propose a decoupled variance reduction strategy that employs (approximate) gradient information to adaptively sample nodes with minimal variance, and explicitly reduces the variance introduced by embedding approximation. We show theoretically and empirically that the proposed method, even with smaller mini-batch sizes, enjoys a faster convergence rate and entails a better generalization compared to the existing methods.

We develop an approach to risk minimization and stochastic optimization that provides a convex surrogate for variance, allowing near-optimal and computationally efficient trading between approximation and estimation error. Our approach builds off of techniques for distributionally robust optimization and Owen's empirical likelihood, and we provide a number of finite-sample and asymptotic results characterizing the theoretical performance of the estimator. In particular, we show that our procedure comes with certificates of optimality, achieving (in some scenarios) faster rates of convergence than empirical risk minimization by virtue of automatically balancing bias and variance. We give corroborating empirical evidence showing that in practice, the estimator indeed trades between variance and absolute performance on a training sample, improving out-of-sample (test) performance over standard empirical risk minimization for a number of classification problems.