Unsupervised deep learning approaches have recently become one of the crucial research areas in imaging owing to their ability to learn expressive and powerful reconstruction operators even when paired high-quality training data is scarcely available. In this chapter, we review theoretically principled unsupervised learning schemes for solving imaging inverse problems, with a particular focus on methods rooted in optimal transport and convex analysis. We begin by reviewing the optimal transport-based unsupervised approaches such as the cycle-consistency-based models and learned adversarial regularization methods, which have clear probabilistic interpretations. Subsequently, we give an overview of a recent line of works on provably convergent learned optimization algorithms applied to accelerate the solution of imaging inverse problems, alongside their dedicated unsupervised training schemes. We also survey a number of provably convergent plug-and-play algorithms (based on gradient-step deep denoisers), which are among the most important and widely applied unsupervised approaches for imaging problems. At the end of this survey, we provide an overview of a few related unsupervised learning frameworks that complement our focused schemes. Together with a detailed survey, we provide an overview of the key mathematical results that underlie the methods reviewed in the chapter to keep our discussion self-contained.
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Neural network with quadratic decision functions have been introduced as alternatives to standard neural networks with affine linear one. They are advantageous when the objects to be identified are of compact basic geometries like circles, ellipsis etc. In this paper we investigate the use of such ansatz functions for classification. In particular we test and compare the algorithm on the MNIST dataset for classification of handwritten digits and for classification of subspecies. We also show, that the implementation can be based on the neural network structure in the software Tensorflow and Keras, respectively.
Multivariate spatio-temporal models are widely applicable, but specifying their structure is complicated and may inhibit wider use. We introduce the R package tinyVAST from two viewpoints: the software user and the statistician. From the user viewpoint, tinyVAST adapts a widely used formula interface to specify generalized additive models, and combines this with arguments to specify spatial and spatio-temporal interactions among variables. These interactions are specified using arrow notation (from structural equation models), or an extended arrow-and-lag notation that allows simultaneous, lagged, and recursive dependencies among variables over time. The user also specifies a spatial domain for areal (gridded), continuous (point-count), or stream-network data. From the statistician viewpoint, tinyVAST constructs sparse precision matrices representing multivariate spatio-temporal variation, and parameters are estimated by specifying a generalized linear mixed model (GLMM). This expressive interface encompasses vector autoregressive, empirical orthogonal functions, spatial factor analysis, and ARIMA models. To demonstrate, we fit to data from two survey platforms sampling corals, sponges, rockfishes, and flatfishes in the Gulf of Alaska and Aleutian Islands. We then compare eight alternative model structures using different assumptions about habitat drivers and survey detectability. Model selection suggests that towed-camera and bottom trawl gears have spatial variation in detectability but sample the same underlying density of flatfishes and rockfishes, and that rockfishes are positively associated with sponges while flatfishes are negatively associated with corals. We conclude that tinyVAST can be used to test complicated dependencies representing alternative structural assumptions for research and real-world policy evaluation.
The most popular method for computing the matrix logarithm is a combination of the inverse scaling and squaring method in conjunction with a Pad\'e approximation, sometimes accompanied by the Schur decomposition. The main computational effort lies in matrix-matrix multiplications and left matrix division. In this work we illustrate that the number of such operations can be substantially reduced, by using a graph based representation of an efficient polynomial evaluation scheme. A technique to analyze the rounding error is proposed, and backward error analysis is adapted. We provide substantial simulations illustrating competitiveness both in terms of computation time and rounding errors.
While deep neural networks have achieved remarkable performance, data augmentation has emerged as a crucial strategy to mitigate overfitting and enhance network performance. These techniques hold particular significance in industrial manufacturing contexts. Recently, image mixing-based methods have been introduced, exhibiting improved performance on public benchmark datasets. However, their application to industrial tasks remains challenging. The manufacturing environment generates massive amounts of unlabeled data on a daily basis, with only a few instances of abnormal data occurrences. This leads to severe data imbalance. Thus, creating well-balanced datasets is not straightforward due to the high costs associated with labeling. Nonetheless, this is a crucial step for enhancing productivity. For this reason, we introduce ContextMix, a method tailored for industrial applications and benchmark datasets. ContextMix generates novel data by resizing entire images and integrating them into other images within the batch. This approach enables our method to learn discriminative features based on varying sizes from resized images and train informative secondary features for object recognition using occluded images. With the minimal additional computation cost of image resizing, ContextMix enhances performance compared to existing augmentation techniques. We evaluate its effectiveness across classification, detection, and segmentation tasks using various network architectures on public benchmark datasets. Our proposed method demonstrates improved results across a range of robustness tasks. Its efficacy in real industrial environments is particularly noteworthy, as demonstrated using the passive component dataset.
Reinforcement learning can solve decision-making problems and train an agent to behave in an environment according to a predesigned reward function. However, such an approach becomes very problematic if the reward is too sparse and so the agent does not come across the reward during the environmental exploration. The solution to such a problem may be to equip the agent with an intrinsic motivation that will provide informed exploration during which the agent is likely to also encounter external reward. Novelty detection is one of the promising branches of intrinsic motivation research. We present Self-supervised Network Distillation (SND), a class of intrinsic motivation algorithms based on the distillation error as a novelty indicator, where the predictor model and the target model are both trained. We adapted three existing self-supervised methods for this purpose and experimentally tested them on a set of ten environments that are considered difficult to explore. The results show that our approach achieves faster growth and higher external reward for the same training time compared to the baseline models, which implies improved exploration in a very sparse reward environment. In addition, the analytical methods we applied provide valuable explanatory insights into our proposed models.
We develop a numerical method for computing with orthogonal polynomials that are orthogonal on multiple, disjoint intervals for which analytical formulae are currently unknown. Our approach exploits the Fokas--Its--Kitaev Riemann--Hilbert representation of the orthogonal polynomials to produce an $\mathrm{O}(N)$ method to compute the first $N$ recurrence coefficients. The method can also be used for pointwise evaluation of the polynomials and their Cauchy transforms throughout the complex plane. The method encodes the singularity behavior of weight functions using weighted Cauchy integrals of Chebyshev polynomials. This greatly improves the efficiency of the method, outperforming other available techniques. We demonstrate the fast convergence of our method and present applications to integrable systems and approximation theory.
We hypothesize that due to the greedy nature of learning in multi-modal deep neural networks, these models tend to rely on just one modality while under-fitting the other modalities. Such behavior is counter-intuitive and hurts the models' generalization, as we observe empirically. To estimate the model's dependence on each modality, we compute the gain on the accuracy when the model has access to it in addition to another modality. We refer to this gain as the conditional utilization rate. In the experiments, we consistently observe an imbalance in conditional utilization rates between modalities, across multiple tasks and architectures. Since conditional utilization rate cannot be computed efficiently during training, we introduce a proxy for it based on the pace at which the model learns from each modality, which we refer to as the conditional learning speed. We propose an algorithm to balance the conditional learning speeds between modalities during training and demonstrate that it indeed addresses the issue of greedy learning. The proposed algorithm improves the model's generalization on three datasets: Colored MNIST, Princeton ModelNet40, and NVIDIA Dynamic Hand Gesture.
The remarkable practical success of deep learning has revealed some major surprises from a theoretical perspective. In particular, simple gradient methods easily find near-optimal solutions to non-convex optimization problems, and despite giving a near-perfect fit to training data without any explicit effort to control model complexity, these methods exhibit excellent predictive accuracy. We conjecture that specific principles underlie these phenomena: that overparametrization allows gradient methods to find interpolating solutions, that these methods implicitly impose regularization, and that overparametrization leads to benign overfitting. We survey recent theoretical progress that provides examples illustrating these principles in simpler settings. We first review classical uniform convergence results and why they fall short of explaining aspects of the behavior of deep learning methods. We give examples of implicit regularization in simple settings, where gradient methods lead to minimal norm functions that perfectly fit the training data. Then we review prediction methods that exhibit benign overfitting, focusing on regression problems with quadratic loss. For these methods, we can decompose the prediction rule into a simple component that is useful for prediction and a spiky component that is useful for overfitting but, in a favorable setting, does not harm prediction accuracy. We focus specifically on the linear regime for neural networks, where the network can be approximated by a linear model. In this regime, we demonstrate the success of gradient flow, and we consider benign overfitting with two-layer networks, giving an exact asymptotic analysis that precisely demonstrates the impact of overparametrization. We conclude by highlighting the key challenges that arise in extending these insights to realistic deep learning settings.
Deep learning is usually described as an experiment-driven field under continuous criticizes of lacking theoretical foundations. This problem has been partially fixed by a large volume of literature which has so far not been well organized. This paper reviews and organizes the recent advances in deep learning theory. The literature is categorized in six groups: (1) complexity and capacity-based approaches for analyzing the generalizability of deep learning; (2) stochastic differential equations and their dynamic systems for modelling stochastic gradient descent and its variants, which characterize the optimization and generalization of deep learning, partially inspired by Bayesian inference; (3) the geometrical structures of the loss landscape that drives the trajectories of the dynamic systems; (4) the roles of over-parameterization of deep neural networks from both positive and negative perspectives; (5) theoretical foundations of several special structures in network architectures; and (6) the increasingly intensive concerns in ethics and security and their relationships with generalizability.
Graph representation learning for hypergraphs can be used to extract patterns among higher-order interactions that are critically important in many real world problems. Current approaches designed for hypergraphs, however, are unable to handle different types of hypergraphs and are typically not generic for various learning tasks. Indeed, models that can predict variable-sized heterogeneous hyperedges have not been available. Here we develop a new self-attention based graph neural network called Hyper-SAGNN applicable to homogeneous and heterogeneous hypergraphs with variable hyperedge sizes. We perform extensive evaluations on multiple datasets, including four benchmark network datasets and two single-cell Hi-C datasets in genomics. We demonstrate that Hyper-SAGNN significantly outperforms the state-of-the-art methods on traditional tasks while also achieving great performance on a new task called outsider identification. Hyper-SAGNN will be useful for graph representation learning to uncover complex higher-order interactions in different applications.
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