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We propose a data-driven mean-curvature solver for the level-set method. This work is the natural extension to $\mathbb{R}^3$ of our two-dimensional strategy in [DOI: 10.1007/s10915-022-01952-2][1] and the hybrid inference system of [DOI: 10.1016/j.jcp.2022.111291][2]. However, in contrast to [1,2], which built resolution-dependent neural-network dictionaries, here we develop a pair of models in $\mathbb{R}^3$, regardless of the mesh size. Our feedforward networks ingest transformed level-set, gradient, and curvature data to fix numerical mean-curvature approximations selectively for interface nodes. To reduce the problem's complexity, we have used the Gaussian curvature to classify stencils and fit our models separately to non-saddle and saddle patterns. Non-saddle stencils are easier to handle because they exhibit a curvature error distribution characterized by monotonicity and symmetry. While the latter has allowed us to train only on half the mean-curvature spectrum, the former has helped us blend the data-driven and the baseline estimations seamlessly near flat regions. On the other hand, the saddle-pattern error structure is less clear; thus, we have exploited no latent information beyond what is known. In this regard, we have trained our models on not only spherical but also sinusoidal and hyperbolic paraboloidal patches. Our approach to building their data sets is systematic but gleans samples randomly while ensuring well-balancedness. We have also resorted to standardization and dimensionality reduction and integrated regularization to minimize outliers. In addition, we leverage curvature rotation/reflection invariance to improve precision at inference time. Several experiments confirm that our proposed system can yield more accurate mean-curvature estimations than modern particle-based interface reconstruction and level-set schemes around under-resolved regions.

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The Right to Explanation and the Right to be Forgotten are two important principles outlined to regulate algorithmic decision making and data usage in real-world applications. While the right to explanation allows individuals to request an actionable explanation for an algorithmic decision, the right to be forgotten grants them the right to ask for their data to be deleted from all the databases and models of an organization. Intuitively, enforcing the right to be forgotten may trigger model updates which in turn invalidate previously provided explanations, thus violating the right to explanation. In this work, we investigate the technical implications arising due to the interference between the two aforementioned regulatory principles, and propose the first algorithmic framework to resolve the tension between them. To this end, we formulate a novel optimization problem to generate explanations that are robust to model updates due to the removal of training data instances by data deletion requests. We then derive an efficient approximation algorithm to handle the combinatorial complexity of this optimization problem. We theoretically demonstrate that our method generates explanations that are provably robust to worst-case data deletion requests with bounded costs in case of linear models and certain classes of non-linear models. Extensive experimentation with real-world datasets demonstrates the efficacy of the proposed framework.

We consider the problem of model selection when grouping structure is inherent within the regressors. Using a Bayesian approach, we model the mean vector by a one-group global-local shrinkage prior belonging to a broad class of such priors that includes the horseshoe prior. In the context of variable selection, this class of priors was studied by Tang et al. (2018) \cite{tang2018bayesian}. A modified form of the usual class of global-local shrinkage priors with polynomial tail on the group regression coefficients is proposed. The resulting threshold rule selects the active group if within a group, the ratio of the $L_2$ norm of the posterior mean of its group coefficient to that of the corresponding ordinary least square group estimate is greater than a half. In the theoretical part of this article, we have used the global shrinkage parameter either as a tuning one or an empirical Bayes estimate of it depending on the knowledge regarding the underlying sparsity of the model. When the proportion of active groups is known, using $\tau$ as a tuning parameter, we have proved that our method enjoys variable selection consistency. In case this proportion is unknown, we propose an empirical Bayes estimate of $\tau$. Even if this empirical Bayes estimate is used, then also our half-thresholding rule captures the true sparse group structure. Though our theoretical works rely on a special form of the design matrix, but for general design matrices also, our simulation results show that the half-thresholding rule yields results similar to that of Yang and Narisetty (2020) \cite{yang2020consistent}. As a consequence of this, in a high dimensional sparse group selection problem, instead of using the so-called `gold standard' spike and slab prior, one can use the one-group global-local shrinkage priors with polynomial tail to obtain similar results.

The Morse-Smale complex is a well studied topological structure that represents the gradient flow behavior between critical points of a scalar function. It supports multi-scale topological analysis and visualization of feature-rich scientific data. Several parallel algorithms have been proposed towards the fast computation of the 3D Morse-Smale complex. Its computation continues to pose significant algorithmic challenges. In particular, the non-trivial structure of the connections between the saddle critical points are not amenable to parallel computation. This paper describes a fine grained parallel algorithm for computing the Morse-Smale complex and a GPU implementation gMSC. The algorithm first determines the saddle-saddle reachability via a transformation into a sequence of vector operations, and next computes the paths between saddles by transforming it into a sequence of matrix operations. Computational experiments show that the method achieves up to 8.6x speedup over pyms3d and 6x speedup over TTK, the current shared memory implementations. The paper also presents a comprehensive experimental analysis of different steps of the algorithm and reports on their contribution towards runtime performance. Finally, it introduces a CPU based data parallel algorithm for simplifying the Morse-Smale complex via iterative critical point pair cancellation.

Hyperdimensional computing (HDC) is a paradigm for data representation and learning originating in computational neuroscience. HDC represents data as high-dimensional, low-precision vectors which can be used for a variety of information processing tasks like learning or recall. The mapping to high-dimensional space is a fundamental problem in HDC, and existing methods encounter scalability issues when the input data itself is high-dimensional. In this work, we explore a family of streaming encoding techniques based on hashing. We show formally that these methods enjoy comparable guarantees on performance for learning applications while being substantially more efficient than existing alternatives. We validate these results experimentally on a popular high-dimensional classification problem and show that our approach easily scales to very large data sets.

Salt and pepper noise removal is a common inverse problem in image processing. Traditional denoising methods have two limitations. First, noise characteristics are often not described accurately. For example, the noise location information is often ignored and the sparsity of the salt and pepper noise is often described by L1 norm, which cannot illustrate the sparse variables clearly. Second, conventional methods separate the contaminated image into a recovered image and a noise part, thus resulting in recovering an image with unsatisfied smooth parts and detail parts. In this study, we introduce a noise detection strategy to determine the position of the noise, and a non-convex sparsity regularization depicted by Lp quasi-norm is employed to describe the sparsity of the noise, thereby addressing the first limitation. The morphological component analysis framework with stationary Framelet transform is adopted to decompose the processed image into cartoon, texture, and noise parts to resolve the second limitation. Then, the alternating direction method of multipliers (ADMM) is employed to solve the proposed model. Finally, experiments are conducted to verify the proposed method and compare it with some current state-of-the-art denoising methods. The experimental results show that the proposed method can remove salt and pepper noise while preserving the details of the processed image.

Neural Networks (NNs) have been successfully employed to represent the state evolution of complex dynamical systems. Such models, referred to as NN dynamic models (NNDMs), use iterative noisy predictions of NN to estimate a distribution of system trajectories over time. Despite their accuracy, safety analysis of NNDMs is known to be a challenging problem and remains largely unexplored. To address this issue, in this paper, we introduce a method of providing safety guarantees for NNDMs. Our approach is based on stochastic barrier functions, whose relation with safety are analogous to that of Lyapunov functions with stability. We first show a method of synthesizing stochastic barrier functions for NNDMs via a convex optimization problem, which in turn provides a lower bound on the system's safety probability. A key step in our method is the employment of the recent convex approximation results for NNs to find piece-wise linear bounds, which allow the formulation of the barrier function synthesis problem as a sum-of-squares optimization program. If the obtained safety probability is above the desired threshold, the system is certified. Otherwise, we introduce a method of generating controls for the system that robustly maximizes the safety probability in a minimally-invasive manner. We exploit the convexity property of the barrier function to formulate the optimal control synthesis problem as a linear program. Experimental results illustrate the efficacy of the method. Namely, they show that the method can scale to multi-dimensional NNDMs with multiple layers and hundreds of neurons per layer, and that the controller can significantly improve the safety probability.

Recently, graph neural networks have been gaining a lot of attention to simulate dynamical systems due to their inductive nature leading to zero-shot generalizability. Similarly, physics-informed inductive biases in deep-learning frameworks have been shown to give superior performance in learning the dynamics of physical systems. There is a growing volume of literature that attempts to combine these two approaches. Here, we evaluate the performance of thirteen different graph neural networks, namely, Hamiltonian and Lagrangian graph neural networks, graph neural ODE, and their variants with explicit constraints and different architectures. We briefly explain the theoretical formulation highlighting the similarities and differences in the inductive biases and graph architecture of these systems. We evaluate these models on spring, pendulum, gravitational, and 3D deformable solid systems to compare the performance in terms of rollout error, conserved quantities such as energy and momentum, and generalizability to unseen system sizes. Our study demonstrates that GNNs with additional inductive biases, such as explicit constraints and decoupling of kinetic and potential energies, exhibit significantly enhanced performance. Further, all the physics-informed GNNs exhibit zero-shot generalizability to system sizes an order of magnitude larger than the training system, thus providing a promising route to simulate large-scale realistic systems.

This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.

The growing energy and performance costs of deep learning have driven the community to reduce the size of neural networks by selectively pruning components. Similarly to their biological counterparts, sparse networks generalize just as well, if not better than, the original dense networks. Sparsity can reduce the memory footprint of regular networks to fit mobile devices, as well as shorten training time for ever growing networks. In this paper, we survey prior work on sparsity in deep learning and provide an extensive tutorial of sparsification for both inference and training. We describe approaches to remove and add elements of neural networks, different training strategies to achieve model sparsity, and mechanisms to exploit sparsity in practice. Our work distills ideas from more than 300 research papers and provides guidance to practitioners who wish to utilize sparsity today, as well as to researchers whose goal is to push the frontier forward. We include the necessary background on mathematical methods in sparsification, describe phenomena such as early structure adaptation, the intricate relations between sparsity and the training process, and show techniques for achieving acceleration on real hardware. We also define a metric of pruned parameter efficiency that could serve as a baseline for comparison of different sparse networks. We close by speculating on how sparsity can improve future workloads and outline major open problems in the field.

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.

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