Calculus of Variation combined with Differential Geometry as tools of modelling and solving problems in image processing and computer vision were introduced in the late 80's and the 90s of the 20th century. The beginning of an extensive work in these directions was marked by works such as Geodesic Active Contours (GAC), the Beltrami framework, level set method of Osher and Sethian the works of Charpiat et al. and the works by Chan and Vese to name just a few. In many cases the optimization of these functional are done by the gradient descent method via the calculation of the Euler-Lagrange equations. Straightforward use of the resulted EL equations in the gradient descent scheme leads to non-geometric and in some cases non sensical equations. It is costumary to modify these EL equations or even the functional itself in order to obtain geometric and/or sensical equations. The aim of this note is to point to the correct way to derive the EL and the gradient descent equations such that the resulted gradient descent equation is geometric and makes sense.
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Full Waveform Inversion (FWI) is a successful and well-established inverse method for reconstructing material models from measured wave signals. In the field of seismic exploration, FWI has proven particularly successful in the reconstruction of smoothly varying material deviations. In contrast, non-destructive testing (NDT) often requires the detection and specification of sharp defects in a specimen. If the contrast between materials is low, FWI can be successfully applied to these problems as well. However, so far the method is not fully suitable to image defects such as voids, which are characterized by a high contrast in the material parameters. In this paper, we introduce a dimensionless scaling function $\gamma$ to model voids in the forward and inverse scalar wave equation problem. Depending on which material parameters this function $\gamma$ scales, different modeling approaches are presented, leading to three formulations of mono-parameter FWI and one formulation of two-parameter FWI. The resulting problems are solved by first-order optimization, where the gradient is computed by an ajdoint state method. The corresponding Fr\'echet kernels are derived for each approach and the associated minimization is performed using an L-BFGS algorithm. A comparison between the different approaches shows that scaling the density with $\gamma$ is most promising for parameterizing voids in the forward and inverse problem. Finally, in order to consider arbitrary complex geometries known a priori, this approach is combined with an immersed boundary method, the finite cell method (FCM).
We study the problem of high-dimensional sparse linear regression in a distributed setting under both computational and communication constraints. Specifically, we consider a star topology network whereby several machines are connected to a fusion center, with whom they can exchange relatively short messages. Each machine holds noisy samples from a linear regression model with the same unknown sparse $d$-dimensional vector of regression coefficients $\theta$. The goal of the fusion center is to estimate the vector $\theta$ and its support using few computations and limited communication at each machine. In this work, we consider distributed algorithms based on Orthogonal Matching Pursuit (OMP) and theoretically study their ability to exactly recover the support of $\theta$. We prove that under certain conditions, even at low signal-to-noise-ratios where individual machines are unable to detect the support of $\theta$, distributed-OMP methods correctly recover it with total communication sublinear in $d$. In addition, we present simulations that illustrate the performance of distributed OMP-based algorithms and show that they perform similarly to more sophisticated and computationally intensive methods, and in some cases even outperform them.
Variational Bayesian posterior inference often requires simplifying approximations such as mean-field parametrisation to ensure tractability. However, prior work has associated the variational mean-field approximation for Bayesian neural networks with underfitting in the case of small datasets or large model sizes. In this work, we show that invariances in the likelihood function of over-parametrised models contribute to this phenomenon because these invariances complicate the structure of the posterior by introducing discrete and/or continuous modes which cannot be well approximated by Gaussian mean-field distributions. In particular, we show that the mean-field approximation has an additional gap in the evidence lower bound compared to a purpose-built posterior that takes into account the known invariances. Importantly, this invariance gap is not constant; it vanishes as the approximation reverts to the prior. We proceed by first considering translation invariances in a linear model with a single data point in detail. We show that, while the true posterior can be constructed from a mean-field parametrisation, this is achieved only if the objective function takes into account the invariance gap. Then, we transfer our analysis of the linear model to neural networks. Our analysis provides a framework for future work to explore solutions to the invariance problem.
Parallel-in-time methods for partial differential equations (PDEs) have been the subject of intense development over recent decades, particularly for diffusion-dominated problems. It has been widely reported in the literature, however, that many of these methods perform quite poorly for advection-dominated problems. Here we analyze the particular iterative parallel-in-time algorithm of multigrid reduction-in-time (MGRIT) for discretizations of constant-wave-speed linear advection problems. We focus on common method-of-lines discretizations that employ upwind finite differences in space and Runge-Kutta methods in time. Using a convergence framework we developed in previous work, we prove for a subclass of these discretizations that, if using the standard approach of rediscretizing the fine-grid problem on the coarse grid, robust MGRIT convergence with respect to CFL number and coarsening factor is not possible. This poor convergence and non-robustness is caused, at least in part, by an inadequate coarse-grid correction for smooth Fourier modes known as characteristic components.We propose an alternative coarse-grid that provides a better correction of these modes. This coarse-grid operator is related to previous work and uses a semi-Lagrangian discretization combined with an implicitly treated truncation error correction. Theory and numerical experiments show the coarse-grid operator yields fast MGRIT convergence for many of the method-of-lines discretizations considered, including for both implicit and explicit discretizations of high order.
A general framework with a series of different methods is proposed to improve the estimate of convex function (or functional) values when only noisy observations of the true input are available. Technically, our methods catch the bias introduced by the convexity and remove this bias from a baseline estimate. Theoretical analysis are conducted to show that the proposed methods can strictly reduce the expected estimate error under mild conditions. When applied, the methods require no specific knowledge about the problem except the convexity and the evaluation of the function. Therefore, they can serve as off-the-shelf tools to obtain good estimate for a wide range of problems, including optimization problems with random objective functions or constraints, and functionals of probability distributions such as the entropy and the Wasserstein distance. Numerical experiments on a wide variety of problems show that our methods can significantly improve the quality of the estimate compared with the baseline method.
Graph-centric artificial intelligence (graph AI) has achieved remarkable success in modeling interacting systems prevalent in nature, from dynamical systems in biology to particle physics. The increasing heterogeneity of data calls for graph neural architectures that can combine multiple inductive biases. However, combining data from various sources is challenging because appropriate inductive bias may vary by data modality. Multimodal learning methods fuse multiple data modalities while leveraging cross-modal dependencies to address this challenge. Here, we survey 140 studies in graph-centric AI and realize that diverse data types are increasingly brought together using graphs and fed into sophisticated multimodal models. These models stratify into image-, language-, and knowledge-grounded multimodal learning. We put forward an algorithmic blueprint for multimodal graph learning based on this categorization. The blueprint serves as a way to group state-of-the-art architectures that treat multimodal data by choosing appropriately four different components. This effort can pave the way for standardizing the design of sophisticated multimodal architectures for highly complex real-world problems.
Neural networks have shown tremendous growth in recent years to solve numerous problems. Various types of neural networks have been introduced to deal with different types of problems. However, the main goal of any neural network is to transform the non-linearly separable input data into more linearly separable abstract features using a hierarchy of layers. These layers are combinations of linear and nonlinear functions. The most popular and common non-linearity layers are activation functions (AFs), such as Logistic Sigmoid, Tanh, ReLU, ELU, Swish and Mish. In this paper, a comprehensive overview and survey is presented for AFs in neural networks for deep learning. Different classes of AFs such as Logistic Sigmoid and Tanh based, ReLU based, ELU based, and Learning based are covered. Several characteristics of AFs such as output range, monotonicity, and smoothness are also pointed out. A performance comparison is also performed among 18 state-of-the-art AFs with different networks on different types of data. The insights of AFs are presented to benefit the researchers for doing further research and practitioners to select among different choices. The code used for experimental comparison is released at: \url{//github.com/shivram1987/ActivationFunctions}.
Classic machine learning methods are built on the $i.i.d.$ assumption that training and testing data are independent and identically distributed. However, in real scenarios, the $i.i.d.$ assumption can hardly be satisfied, rendering the sharp drop of classic machine learning algorithms' performances under distributional shifts, which indicates the significance of investigating the Out-of-Distribution generalization problem. Out-of-Distribution (OOD) generalization problem addresses the challenging setting where the testing distribution is unknown and different from the training. This paper serves as the first effort to systematically and comprehensively discuss the OOD generalization problem, from the definition, methodology, evaluation to the implications and future directions. Firstly, we provide the formal definition of the OOD generalization problem. Secondly, existing methods are categorized into three parts based on their positions in the whole learning pipeline, namely unsupervised representation learning, supervised model learning and optimization, and typical methods for each category are discussed in detail. We then demonstrate the theoretical connections of different categories, and introduce the commonly used datasets and evaluation metrics. Finally, we summarize the whole literature and raise some future directions for OOD generalization problem. The summary of OOD generalization methods reviewed in this survey can be found at //out-of-distribution-generalization.com.
Human-in-the-loop aims to train an accurate prediction model with minimum cost by integrating human knowledge and experience. Humans can provide training data for machine learning applications and directly accomplish some tasks that are hard for computers in the pipeline with the help of machine-based approaches. In this paper, we survey existing works on human-in-the-loop from a data perspective and classify them into three categories with a progressive relationship: (1) the work of improving model performance from data processing, (2) the work of improving model performance through interventional model training, and (3) the design of the system independent human-in-the-loop. Using the above categorization, we summarize major approaches in the field, along with their technical strengths/ weaknesses, we have simple classification and discussion in natural language processing, computer vision, and others. Besides, we provide some open challenges and opportunities. This survey intends to provide a high-level summarization for human-in-the-loop and motivates interested readers to consider approaches for designing effective human-in-the-loop solutions.
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.
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