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In reliable decision-making systems based on machine learning, models have to be robust to distributional shifts or provide the uncertainty of their predictions. In node-level problems of graph learning, distributional shifts can be especially complex since the samples are interdependent. To evaluate the performance of graph models, it is important to test them on diverse and meaningful distributional shifts. However, most graph benchmarks considering distributional shifts for node-level problems focus mainly on node features, while structural properties are also essential for graph problems. In this work, we propose a general approach for inducing diverse distributional shifts based on graph structure. We use this approach to create data splits according to several structural node properties: popularity, locality, and density. In our experiments, we thoroughly evaluate the proposed distributional shifts and show that they can be quite challenging for existing graph models. We also reveal that simple models often outperform more sophisticated methods on the considered structural shifts. Finally, our experiments provide evidence that there is a trade-off between the quality of learned representations for the base classification task under structural distributional shift and the ability to separate the nodes from different distributions using these representations.

We present a targeted, scaled-up comparison of incremental processing in humans and neural language models by collecting by-word reaction time data for sixteen different syntactic test suites across a range of structural phenomena. Human reaction time data comes from a novel online experimental paradigm called the Interpolated Maze task. We compare human reaction times to by-word probabilities for four contemporary language models, with different architectures and trained on a range of data set sizes. We find that across many phenomena, both humans and language models show increased processing difficulty in ungrammatical sentence regions with human and model `accuracy' scores (a la Marvin and Linzen(2018)) about equal. However, although language model outputs match humans in direction, we show that models systematically under-predict the difference in magnitude of incremental processing difficulty between grammatical and ungrammatical sentences. Specifically, when models encounter syntactic violations they fail to accurately predict the longer reaction times observed in the human data. These results call into question whether contemporary language models are approaching human-like performance for sensitivity to syntactic violations.

This article provides a comprehensive understanding of optimization in deep learning, with a primary focus on the challenges of gradient vanishing and gradient exploding, which normally lead to diminished model representational ability and training instability, respectively. We analyze these two challenges through several strategic measures, including the improvement of gradient flow and the imposition of constraints on a network's Lipschitz constant. To help understand the current optimization methodologies, we categorize them into two classes: explicit optimization and implicit optimization. Explicit optimization methods involve direct manipulation of optimizer parameters, including weight, gradient, learning rate, and weight decay. Implicit optimization methods, by contrast, focus on improving the overall landscape of a network by enhancing its modules, such as residual shortcuts, normalization methods, attention mechanisms, and activations. In this article, we provide an in-depth analysis of these two optimization classes and undertake a thorough examination of the Jacobian matrices and the Lipschitz constants of many widely used deep learning modules, highlighting existing issues as well as potential improvements. Moreover, we also conduct a series of analytical experiments to substantiate our theoretical discussions. This article does not aim to propose a new optimizer or network. Rather, our intention is to present a comprehensive understanding of optimization in deep learning. We hope that this article will assist readers in gaining a deeper insight in this field and encourages the development of more robust, efficient, and high-performing models.

We present a study of surrogate losses and algorithms for the general problem of learning to defer with multiple experts. We first introduce a new family of surrogate losses specifically tailored for the multiple-expert setting, where the prediction and deferral functions are learned simultaneously. We then prove that these surrogate losses benefit from strong $H$-consistency bounds. We illustrate the application of our analysis through several examples of practical surrogate losses, for which we give explicit guarantees. These loss functions readily lead to the design of new learning to defer algorithms based on their minimization. While the main focus of this work is a theoretical analysis, we also report the results of several experiments on SVHN and CIFAR-10 datasets.

Within the realm of deep learning, the interpretability of Convolutional Neural Networks (CNNs), particularly in the context of image classification tasks, remains a formidable challenge. To this end we present a neurosymbolic framework, NeSyFOLD-G that generates a symbolic rule-set using the last layer kernels of the CNN to make its underlying knowledge interpretable. What makes NeSyFOLD-G different from other similar frameworks is that we first find groups of similar kernels in the CNN (kernel-grouping) using the cosine-similarity between the feature maps generated by various kernels. Once such kernel groups are found, we binarize each kernel group's output in the CNN and use it to generate a binarization table which serves as input data to FOLD-SE-M which is a Rule Based Machine Learning (RBML) algorithm. FOLD-SE-M then generates a rule-set that can be used to make predictions. We present a novel kernel grouping algorithm and show that grouping similar kernels leads to a significant reduction in the size of the rule-set generated by FOLD-SE-M, consequently, improving the interpretability. This rule-set symbolically encapsulates the connectionist knowledge of the trained CNN. The rule-set can be viewed as a normal logic program wherein each predicate's truth value depends on a kernel group in the CNN. Each predicate in the rule-set is mapped to a concept using a few semantic segmentation masks of the images used for training, to make it human-understandable. The last layers of the CNN can then be replaced by this rule-set to obtain the NeSy-G model which can then be used for the image classification task. The goal directed ASP system s(CASP) can be used to obtain the justification of any prediction made using the NeSy-G model. We also propose a novel algorithm for labeling each predicate in the rule-set with the semantic concept(s) that its corresponding kernel group represents.

Although deep learning models for abnormality classification can perform well in screening mammography, the demographic, imaging, and clinical characteristics associated with increased risk of model failure remain unclear. This retrospective study uses the Emory BrEast Imaging Dataset(EMBED) containing mammograms from 115931 patients imaged at Emory Healthcare between 2013-2020, with BI-RADS assessment, region of interest coordinates for abnormalities, imaging features, pathologic outcomes, and patient demographics. Multiple deep learning models were trained to distinguish between abnormal tissue patches and randomly selected normal tissue patches from screening mammograms. We assessed model performance by subgroups defined by age, race, pathologic outcome, tissue density, and imaging characteristics and investigated their associations with false negatives (FN) and false positives (FP). We also performed multivariate logistic regression to control for confounding between subgroups. The top-performing model, ResNet152V2, achieved accuracy of 92.6%(95%CI=92.0-93.2%), and AUC 0.975(95%CI=0.972-0.978). Before controlling for confounding, nearly all subgroups showed statistically significant differences in model performance. However, after controlling for confounding, we found lower FN risk associates with Other race(RR=0.828;p=.050), biopsy-proven benign lesions(RR=0.927;p=.011), and mass(RR=0.921;p=.010) or asymmetry(RR=0.854;p=.040); higher FN risk associates with architectural distortion (RR=1.037;p<.001). Higher FP risk associates to BI-RADS density C(RR=1.891;p<.001) and D(RR=2.486;p<.001). Our results demonstrate subgroup analysis is important in mammogram classifier performance evaluation, and controlling for confounding between subgroups elucidates the true associations between variables and model failure. These results can help guide developing future breast cancer detection models.

While deep reinforcement learning (RL) has fueled multiple high-profile successes in machine learning, it is held back from more widespread adoption by its often poor data efficiency and the limited generality of the policies it produces. A promising approach for alleviating these limitations is to cast the development of better RL algorithms as a machine learning problem itself in a process called meta-RL. Meta-RL is most commonly studied in a problem setting where, given a distribution of tasks, the goal is to learn a policy that is capable of adapting to any new task from the task distribution with as little data as possible. In this survey, we describe the meta-RL problem setting in detail as well as its major variations. We discuss how, at a high level, meta-RL research can be clustered based on the presence of a task distribution and the learning budget available for each individual task. Using these clusters, we then survey meta-RL algorithms and applications. We conclude by presenting the open problems on the path to making meta-RL part of the standard toolbox for a deep RL practitioner.

We describe the new field of mathematical analysis of deep learning. This field emerged around a list of research questions that were not answered within the classical framework of learning theory. These questions concern: the outstanding generalization power of overparametrized neural networks, the role of depth in deep architectures, the apparent absence of the curse of dimensionality, the surprisingly successful optimization performance despite the non-convexity of the problem, understanding what features are learned, why deep architectures perform exceptionally well in physical problems, and which fine aspects of an architecture affect the behavior of a learning task in which way. We present an overview of modern approaches that yield partial answers to these questions. For selected approaches, we describe the main ideas in more detail.

Deep neural networks have revolutionized many machine learning tasks in power systems, ranging from pattern recognition to signal processing. The data in these tasks is typically represented in Euclidean domains. Nevertheless, there is an increasing number of applications in power systems, where data are collected from non-Euclidean domains and represented as the graph-structured data with high dimensional features and interdependency among nodes. The complexity of graph-structured data has brought significant challenges to the existing deep neural networks defined in Euclidean domains. Recently, many studies on extending deep neural networks for graph-structured data in power systems have emerged. In this paper, a comprehensive overview of graph neural networks (GNNs) in power systems is proposed. Specifically, several classical paradigms of GNNs structures (e.g., graph convolutional networks, graph recurrent neural networks, graph attention networks, graph generative networks, spatial-temporal graph convolutional networks, and hybrid forms of GNNs) are summarized, and key applications in power systems such as fault diagnosis, power prediction, power flow calculation, and data generation are reviewed in detail. Furthermore, main issues and some research trends about the applications of GNNs in power systems are discussed.

While it is nearly effortless for humans to quickly assess the perceptual similarity between two images, the underlying processes are thought to be quite complex. Despite this, the most widely used perceptual metrics today, such as PSNR and SSIM, are simple, shallow functions, and fail to account for many nuances of human perception. Recently, the deep learning community has found that features of the VGG network trained on the ImageNet classification task has been remarkably useful as a training loss for image synthesis. But how perceptual are these so-called "perceptual losses"? What elements are critical for their success? To answer these questions, we introduce a new Full Reference Image Quality Assessment (FR-IQA) dataset of perceptual human judgments, orders of magnitude larger than previous datasets. We systematically evaluate deep features across different architectures and tasks and compare them with classic metrics. We find that deep features outperform all previous metrics by huge margins. More surprisingly, this result is not restricted to ImageNet-trained VGG features, but holds across different deep architectures and levels of supervision (supervised, self-supervised, or even unsupervised). Our results suggest that perceptual similarity is an emergent property shared across deep visual representations.