This paper discovers that the neural network with lower decision boundary (DB) variability has better generalizability. Two new notions, algorithm DB variability and $(\epsilon, \eta)$-data DB variability, are proposed to measure the decision boundary variability from the algorithm and data perspectives. Extensive experiments show significant negative correlations between the decision boundary variability and the generalizability. From the theoretical view, two lower bounds based on algorithm DB variability are proposed and do not explicitly depend on the sample size. We also prove an upper bound of order $\mathcal{O}\left(\frac{1}{\sqrt{m}}+\epsilon+\eta\log\frac{1}{\eta}\right)$ based on data DB variability. The bound is convenient to estimate without the requirement of labels, and does not explicitly depend on the network size which is usually prohibitively large in deep learning.
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Since the first success of Dong et al., the deep-learning-based approach has become dominant in the field of single-image super-resolution. This replaces all the handcrafted image processing steps of traditional sparse-coding-based methods with a deep neural network. In contrast to sparse-coding-based methods, which explicitly create high/low-resolution dictionaries, the dictionaries in deep-learning-based methods are implicitly acquired as a nonlinear combination of multiple convolutions. One disadvantage of deep-learning-based methods is that their performance is degraded for images created differently from the training dataset (out-of-domain images). We propose an end-to-end super-resolution network with a deep dictionary (SRDD), where a high-resolution dictionary is explicitly learned without sacrificing the advantages of deep learning. Extensive experiments show that explicit learning of high-resolution dictionary makes the network more robust for out-of-domain test images while maintaining the performance of the in-domain test images.
As progress in AI continues to advance, it is crucial to know how advanced systems will make choices and in what ways they may fail. Machines can already outsmart humans in some domains, and understanding how to safely build ones which may have capabilities at or above the human level is of particular concern. One might suspect that artificially generally intelligent (AGI) and artificially superintelligent (ASI) systems should be modeled as as something which humans, by definition, can't reliably outsmart. As a challenge to this assumption, this paper presents the Achilles Heel hypothesis which states that even a potentially superintelligent system may nonetheless have stable decision-theoretic delusions which cause them to make obviously irrational decisions in adversarial settings. In a survey of relevant dilemmas and paradoxes from the decision theory literature, a number of these potential Achilles Heels are discussed in context of this hypothesis. Several novel contributions are made toward understanding the ways in which these weaknesses might be implanted into a system.
In this paper, we present a thorough theoretical analysis of the default implementation of LIME in the case of tabular data. We prove that in the large sample limit, the interpretable coefficients provided by Tabular LIME can be computed in an explicit way as a function of the algorithm parameters and some expectation computations related to the black-box model. When the function to explain has some nice algebraic structure (linear, multiplicative, or sparsely depending on a subset of the coordinates), our analysis provides interesting insights into the explanations provided by LIME. These can be applied to a range of machine learning models including Gaussian kernels or CART random forests. As an example, for linear functions we show that LIME has the desirable property to provide explanations that are proportional to the coefficients of the function to explain and to ignore coordinates that are not used by the function to explain. For partition-based regressors, on the other side, we show that LIME produces undesired artifacts that may provide misleading explanations.
Histograms, i.e., piece-wise constant approximations, are a popular tool used to represent data distributions. Traditionally, the difference between the histogram and the underlying distribution (i.e., the approximation error) is measured using the $L_p$ norm, which sums the differences between the two functions over all items in the domain. Although useful in many applications, the drawback of this error measure is that it treats approximation errors of all items in the same way, irrespective of whether the mass of an item is important for the downstream application that uses the approximation. As a result, even relatively simple distributions cannot be approximated by succinct histograms without incurring large error. In this paper, we address this issue by adapting the definition of approximation so that only the errors of the items that belong to the support of the distribution are considered. Under this definition, we develop efficient 1-pass and 2-pass streaming algorithms that compute near-optimal histograms in sub-linear space. We also present lower bounds on the space complexity of this problem. Surprisingly, under this notion of error, there is an exponential gap in the space complexity of 1-pass and 2-pass streaming algorithms. Finally, we demonstrate the utility of our algorithms on a collection of real and synthetic data sets.
Weight-tied models have attracted attention in the modern development of neural networks. The deep equilibrium model (DEQ) represents infinitely deep neural networks with weight-tying, and recent studies have shown the potential of this type of approach. DEQs are needed to iteratively solve root-finding problems in training and are built on the assumption that the underlying dynamics determined by the models converge to a fixed point. In this paper, we present the stable invariant model (SIM), a new class of deep models that in principle approximates DEQs under stability and extends the dynamics to more general ones converging to an invariant set (not restricted in a fixed point). The key ingredient in deriving SIMs is a representation of the dynamics with the spectra of the Koopman and Perron--Frobenius operators. This perspective approximately reveals stable dynamics with DEQs and then derives two variants of SIMs. We also propose an implementation of SIMs that can be learned in the same way as feedforward models. We illustrate the empirical performance of SIMs with experiments and demonstrate that SIMs achieve comparative or superior performance against DEQs in several learning tasks.
Lipschitz Bound Estimation is an effective method of regularizing deep neural networks to make them robust against adversarial attacks. This is useful in a variety of applications ranging from reinforcement learning to autonomous systems. In this paper, we highlight the significant gap in obtaining a non-trivial Lipschitz bound certificate for Convolutional Neural Networks (CNNs) and empirically support it with extensive graphical analysis. We also show that unrolling Convolutional layers or Toeplitz matrices can be employed to convert Convolutional Neural Networks (CNNs) to a Fully Connected Network. Further, we propose a simple algorithm to show the existing 20x-50x gap in a particular data distribution between the actual lipschitz constant and the obtained tight bound. We also ran sets of thorough experiments on various network architectures and benchmark them on datasets like MNIST and CIFAR-10. All these proposals are supported by extensive testing, graphs, histograms and comparative analysis.
Some neurons in deep networks specialize in recognizing highly specific perceptual, structural, or semantic features of inputs. In computer vision, techniques exist for identifying neurons that respond to individual concept categories like colors, textures, and object classes. But these techniques are limited in scope, labeling only a small subset of neurons and behaviors in any network. Is a richer characterization of neuron-level computation possible? We introduce a procedure (called MILAN, for mutual-information-guided linguistic annotation of neurons) that automatically labels neurons with open-ended, compositional, natural language descriptions. Given a neuron, MILAN generates a description by searching for a natural language string that maximizes pointwise mutual information with the image regions in which the neuron is active. MILAN produces fine-grained descriptions that capture categorical, relational, and logical structure in learned features. These descriptions obtain high agreement with human-generated feature descriptions across a diverse set of model architectures and tasks, and can aid in understanding and controlling learned models. We highlight three applications of natural language neuron descriptions. First, we use MILAN for analysis, characterizing the distribution and importance of neurons selective for attribute, category, and relational information in vision models. Second, we use MILAN for auditing, surfacing neurons sensitive to protected categories like race and gender in models trained on datasets intended to obscure these features. Finally, we use MILAN for editing, improving robustness in an image classifier by deleting neurons sensitive to text features spuriously correlated with class labels.
Graph Neural Networks (GNN) is an emerging field for learning on non-Euclidean data. Recently, there has been increased interest in designing GNN that scales to large graphs. Most existing methods use "graph sampling" or "layer-wise sampling" techniques to reduce training time. However, these methods still suffer from degrading performance and scalability problems when applying to graphs with billions of edges. This paper presents GBP, a scalable GNN that utilizes a localized bidirectional propagation process from both the feature vectors and the training/testing nodes. Theoretical analysis shows that GBP is the first method that achieves sub-linear time complexity for both the precomputation and the training phases. An extensive empirical study demonstrates that GBP achieves state-of-the-art performance with significantly less training/testing time. Most notably, GBP can deliver superior performance on a graph with over 60 million nodes and 1.8 billion edges in less than half an hour on a single machine.
Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains is dramatically increasing in both size and complexity. Taken together, this suggests many exciting opportunities for deep learning applications in scientific settings. But a significant challenge to this is simply knowing where to start. The sheer breadth and diversity of different deep learning techniques makes it difficult to determine what scientific problems might be most amenable to these methods, or which specific combination of methods might offer the most promising first approach. In this survey, we focus on addressing this central issue, providing an overview of many widely used deep learning models, spanning visual, sequential and graph structured data, associated tasks and different training methods, along with techniques to use deep learning with less data and better interpret these complex models --- two central considerations for many scientific use cases. We also include overviews of the full design process, implementation tips, and links to a plethora of tutorials, research summaries and open-sourced deep learning pipelines and pretrained models, developed by the community. We hope that this survey will help accelerate the use of deep learning across different scientific domains.
This paper presents SimCLR: a simple framework for contrastive learning of visual representations. We simplify recently proposed contrastive self-supervised learning algorithms without requiring specialized architectures or a memory bank. In order to understand what enables the contrastive prediction tasks to learn useful representations, we systematically study the major components of our framework. We show that (1) composition of data augmentations plays a critical role in defining effective predictive tasks, (2) introducing a learnable nonlinear transformation between the representation and the contrastive loss substantially improves the quality of the learned representations, and (3) contrastive learning benefits from larger batch sizes and more training steps compared to supervised learning. By combining these findings, we are able to considerably outperform previous methods for self-supervised and semi-supervised learning on ImageNet. A linear classifier trained on self-supervised representations learned by SimCLR achieves 76.5% top-1 accuracy, which is a 7% relative improvement over previous state-of-the-art, matching the performance of a supervised ResNet-50. When fine-tuned on only 1% of the labels, we achieve 85.8% top-5 accuracy, outperforming AlexNet with 100X fewer labels.
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