Deep Convolutional Neural Networks are able to identify complex patterns and perform tasks with super-human capabilities. However, besides the exceptional results, they are not completely understood and it is still impractical to hand-engineer similar solutions. In this work, an image classification Convolutional Neural Network and its building blocks are described from a frequency domain perspective. Some network layers have established counterparts in the frequency domain like the convolutional and pooling layers. We propose the 2SReLU layer, a novel non-linear activation function that preserves high frequency components in deep networks. It is demonstrated that in the frequency domain it is possible to achieve competitive results without using the computationally costly convolution operation. A source code implementation in PyTorch is provided at: https://gitlab.com/thomio/2srelu
Neural networks have been shown to perform incredibly well in classification tasks over structured high-dimensional datasets. However, the learning dynamics of such networks is still poorly understood. In this paper we study in detail the training dynamics of a simple type of neural network: a single hidden layer trained to perform a classification task. We show that in a suitable mean-field limit this case maps to a single-node learning problem with a time-dependent dataset determined self-consistently from the average nodes population. We specialize our theory to the prototypical case of a linearly separable dataset and a linear hinge loss, for which the dynamics can be explicitly solved. This allow us to address in a simple setting several phenomena appearing in modern networks such as slowing down of training dynamics, crossover between rich and lazy learning, and overfitting. Finally, we asses the limitations of mean-field theory by studying the case of large but finite number of nodes and of training samples.
In this work, we propose the first backdoor attack to graph neural networks (GNN). Specifically, we propose a \emph{subgraph based backdoor attack} to GNN for graph classification. In our backdoor attack, a GNN classifier predicts an attacker-chosen target label for a testing graph once a predefined subgraph is injected to the testing graph. Our empirical results on three real-world graph datasets show that our backdoor attacks are effective with a small impact on a GNN's prediction accuracy for clean testing graphs. Moreover, we generalize a randomized smoothing based certified defense to defend against our backdoor attacks. Our empirical results show that the defense is effective in some cases but ineffective in other cases, highlighting the needs of new defenses for our backdoor attacks.
Classifiers are often tested on relatively small data sets, which should lead to uncertain performance metrics. Nevertheless, these metrics are usually taken at face value. We present an approach to quantify the uncertainty of classification performance metrics, based on a probability model of the confusion matrix. Application of our approach to classifiers from the scientific literature and a classification competition shows that uncertainties can be surprisingly large and limit performance evaluation. In fact, some published classifiers are likely to be misleading. The application of our approach is simple and requires only the confusion matrix. It is agnostic of the underlying classifier. Our method can also be used for the estimation of sample sizes that achieve a desired precision of a performance metric.
Instance level detection of thoracic diseases or abnormalities are crucial for automatic diagnosis in chest X-ray images. Most existing works on chest X-rays focus on disease classification and weakly supervised localization. In order to push forward the research on disease classification and localization on chest X-rays. We provide a new benchmark called ChestX-Det10, including box-level annotations of 10 categories of disease/abnormality of $\sim$ 3,500 images. The annotations are located at https://github.com/Deepwise-AILab/ChestX-Det10-Dataset.
Recently, graph neural networks for semi-supervised classification have been widely studied. However, existing methods only use the information of limited neighbors and do not deal with the inter-class connections in graphs. In this paper, we propose Adaptive aggregation with Class-Attentive Diffusion (AdaCAD), a new aggregation scheme that adaptively aggregates nodes probably of the same class among K-hop neighbors. To this end, we first propose a novel stochastic process, called Class-Attentive Diffusion (CAD), that strengthens attention to intra-class nodes and attenuates attention to inter-class nodes. In contrast to the existing diffusion methods with a transition matrix determined solely by the graph structure, CAD considers both the node features and the graph structure with the design of our class-attentive transition matrix that utilizes a classifier. Then, we further propose an adaptive update scheme that leverages different reflection ratios of the diffusion result for each node depending on the local class-context. As the main advantage, AdaCAD alleviates the problem of undesired mixing of inter-class features caused by discrepancies between node labels and the graph topology. Built on AdaCAD, we construct a simple model called Class-Attentive Diffusion Network (CAD-Net). Extensive experiments on seven benchmark datasets consistently demonstrate the efficacy of the proposed method and our CAD-Net significantly outperforms the state-of-the-art methods. Code is available at https://github.com/ljin0429/CAD-Net.
A model must adapt itself to generalize to new and different data during testing. In this setting of fully test-time adaptation the model has only the test data and its own parameters. We propose to adapt by test entropy minimization (tent): we optimize the model for confidence as measured by the entropy of its predictions. Our method estimates normalization statistics and optimizes channel-wise affine transformations to update online on each batch. Tent reduces generalization error for image classification on corrupted ImageNet and CIFAR-10/100 and reaches a new state-of-the-art error on ImageNet-C. Tent handles source-free domain adaptation on digit recognition from SVHN to MNIST/MNIST-M/USPS, on semantic segmentation from GTA to Cityscapes, and on the VisDA-C benchmark. These results are achieved in one epoch of test-time optimization without altering training.
In the recent years, researchers proposed a number of successful methods to perform out-of-distribution (OOD) detection in deep neural networks (DNNs). So far the scope of the highly accurate methods has been limited to image level classification tasks. However, attempts for generally applicable methods beyond classification did not attain similar performance. In this paper, we address this limitation by proposing a simple yet effective task-agnostic OOD detection method. We estimate the probability density functions (pdfs) of intermediate features of a pre-trained DNN by performing kernel density estimation (KDE) on the training dataset. As direct application of KDE to feature maps is hindered by their high dimensionality, we use a set of lower-dimensional marginalized KDE models instead of a single high-dimensional one. At test time, we evaluate the pdfs on a test sample and produce a confidence score that indicates the sample is OOD. The use of KDE eliminates the need for making simplifying assumptions about the underlying feature pdfs and makes the proposed method task-agnostic. We perform extensive experiments on classification tasks using benchmark datasets for OOD detection. Additionally, we perform experiments on medical image segmentation tasks using brain MRI datasets. The results demonstrate that the proposed method consistently achieves high OOD detection performance in both classification and segmentation tasks and improves state-of-the-art in almost all cases. Code is available at \url{https://github.com/eerdil/task_agnostic_ood}
The paper introduces two new aggregation functions to encode structural knowledge from tree-structured data. They leverage the Canonical and Tensor-Train decompositions to yield expressive context aggregation while limiting the number of model parameters. Finally, we define two novel neural recursive models for trees leveraging such aggregation functions, and we test them on two tree classification tasks, showing the advantage of proposed models when tree outdegree increases.
Graph representation learning has emerged as a powerful technique for addressing real-world problems. Various downstream graph learning tasks have benefited from its recent developments, such as node classification, similarity search, and graph classification. However, prior arts on graph representation learning focus on domain specific problems and train a dedicated model for each graph dataset, which is usually non-transferable to out-of-domain data. Inspired by the recent advances in pre-training from natural language processing and computer vision, we design Graph Contrastive Coding (GCC) -- a self-supervised graph neural network pre-training framework -- to capture the universal network topological properties across multiple networks. We design GCC's pre-training task as subgraph instance discrimination in and across networks and leverage contrastive learning to empower graph neural networks to learn the intrinsic and transferable structural representations. We conduct extensive experiments on three graph learning tasks and ten graph datasets. The results show that GCC pre-trained on a collection of diverse datasets can achieve competitive or better performance to its task-specific and trained-from-scratch counterparts. This suggests that the pre-training and fine-tuning paradigm presents great potential for graph representation learning.
We propose a new class of implicit networks, the multiscale deep equilibrium model (MDEQ), suited to large-scale and highly hierarchical pattern recognition domains. An MDEQ directly solves for and backpropagates through the equilibrium points of multiple feature resolutions simultaneously, using implicit differentiation to avoid storing intermediate states (and thus requiring only $O(1)$ memory consumption). These simultaneously-learned multi-resolution features allow us to train a single model on a diverse set of tasks and loss functions, such as using a single MDEQ to perform both image classification and semantic segmentation. We illustrate the effectiveness of this approach on two large-scale vision tasks: ImageNet classification and semantic segmentation on high-resolution images from the Cityscapes dataset. In both settings, MDEQs are able to match or exceed the performance of recent competitive computer vision models: the first time such performance and scale have been achieved by an implicit deep learning approach. The code and pre-trained models are at https://github.com/locuslab/mdeq .
Feature attribution (FA), or the assignment of class-relevance to different locations in an image, is important for many classification problems but is particularly crucial within the neuroscience domain, where accurate mechanistic models of behaviours, or disease, require knowledge of all features discriminative of a trait. At the same time, predicting class relevance from brain images is challenging as phenotypes are typically heterogeneous, and changes occur against a background of significant natural variation. Here, we present a novel framework for creating class specific FA maps through image-to-image translation. We propose the use of a VAE-GAN to explicitly disentangle class relevance from background features for improved interpretability properties, which results in meaningful FA maps. We validate our method on 2D and 3D brain image datasets of dementia (ADNI dataset), ageing (UK Biobank), and (simulated) lesion detection. We show that FA maps generated by our method outperform baseline FA methods when validated against ground truth. More significantly, our approach is the first to use latent space sampling to support exploration of phenotype variation. Our code will be available online at https://github.com/CherBass/ICAM.
Deep neural networks have dramatically transformed machine learning, but their memory and energy demands are substantial. The requirements of real biological neural networks are rather modest in comparison, and one feature that might underlie this austerity is their sparse connectivity. In deep learning, trainable sparse networks that perform well on a specific task are usually constructed using label-dependent pruning criteria. In this article, we introduce Neural Tangent Transfer, a method that instead finds trainable sparse networks in a label-free manner. Specifically, we find sparse networks whose training dynamics, as characterized by the neural tangent kernel, mimic those of dense networks in function space. Finally, we evaluate our label-agnostic approach on several standard classification tasks and show that the resulting sparse networks achieve higher classification performance while converging faster.
Data augmentation has been widely used to improve generalizability of machine learning models. However, comparatively little work studies data augmentation for graphs. This is largely due to the complex, non-Euclidean structure of graphs, which limits possible manipulation operations. Augmentation operations commonly used in vision and language have no analogs for graphs. Our work studies graph data augmentation for graph neural networks (GNNs) in the context of improving semi-supervised node-classification. We discuss practical and theoretical motivations, considerations and strategies for graph data augmentation. Our work shows that neural edge predictors can effectively encode class-homophilic structure to promote intra-class edges and demote inter-class edges in given graph structure, and our main contribution introduces the GAug graph data augmentation framework, which leverages these insights to improve performance in GNN-based node classification via edge prediction. Extensive experiments on multiple benchmarks show that augmentation via GAug improves performance across GNN architectures and datasets.
Automated machine learning (AutoML) and deep learning (DL) are two cutting-edge paradigms used to solve a myriad of inductive learning tasks. In spite of their successes, little guidance exists for when to choose one approach over the other in the context of specific real-world problems. Furthermore, relatively few tools exist that allow the integration of both AutoML and DL in the same analysis to yield results combining both of their strengths. Here, we seek to address both of these issues, by (1.) providing a head-to-head comparison of AutoML and DL in the context of binary classification on 6 well-characterized public datasets, and (2.) evaluating a new tool for genetic programming-based AutoML that incorporates deep estimators. Our observations suggest that AutoML outperforms simple DL classifiers when trained on similar datasets for binary classification but integrating DL into AutoML improves classification performance even further. However, the substantial time needed to train AutoML+DL pipelines will likely outweigh performance advantages in many applications.
While much work on deep latent variable models of text uses continuous latent variables, discrete latent variables are interesting because they are more interpretable and typically more space efficient. We consider several approaches to learning discrete latent variable models for text in the case where exact marginalization over these variables is intractable. We compare the performance of the learned representations as features for low-resource document and sentence classification. Our best models outperform the previous best reported results with continuous representations in these low-resource settings, while learning significantly more compressed representations. Interestingly, we find that an amortized variant of Hard EM performs particularly well in the lowest-resource regimes.
The de-facto approach to many vision tasks is to start from pretrained visual representations, typically learned via supervised training on ImageNet. Recent methods have explored unsupervised pretraining to scale to vast quantities of unlabeled images. In contrast, we aim to learn high-quality visual representations from fewer images. To this end, we revisit supervised pretraining, and seek data-efficient alternatives to classification-based pretraining. We propose VirTex -- a pretraining approach using semantically dense captions to learn visual representations. We train convolutional networks from scratch on COCO Captions, and transfer them to downstream recognition tasks including image classification, object detection, and instance segmentation. On all tasks, VirTex yields features that match or exceed those learned on ImageNet -- supervised or unsupervised -- despite using up to ten times fewer images.
Region sampling or weighting is significantly important to the success of modern region-based object detectors. Unlike some previous works, which only focus on "hard" samples when optimizing the objective function, we argue that sample weighting should be data-dependent and task-dependent. The importance of a sample for the objective function optimization is determined by its uncertainties to both object classification and bounding box regression tasks. To this end, we devise a general loss function to cover most region-based object detectors with various sampling strategies, and then based on it we propose a unified sample weighting network to predict a sample's task weights. Our framework is simple yet effective. It leverages the samples' uncertainty distributions on classification loss, regression loss, IoU, and probability score, to predict sample weights. Our approach has several advantages: (i). It jointly learns sample weights for both classification and regression tasks, which differentiates it from most previous work. (ii). It is a data-driven process, so it avoids some manual parameter tuning. (iii). It can be effortlessly plugged into most object detectors and achieves noticeable performance improvements without affecting their inference time. Our approach has been thoroughly evaluated with recent object detection frameworks and it can consistently boost the detection accuracy. Code has been made available at \url{https://github.com/caiqi/sample-weighting-network}.
Adversarial examples have pointed out Deep Neural Networks vulnerability to small local noise. It has been shown that constraining their Lipschitz constant should enhance robustness, but make them harder to learn with classical loss functions. We propose a new framework for binary classification, based on optimal transport, which integrates this Lipschitz constraint as a theoretical requirement. We propose to learn 1-Lipschitz networks using a new loss that is an hinge regularized version of the Kantorovich-Rubinstein dual formulation for the Wasserstein distance estimation. This loss function has a direct interpretation in terms of adversarial robustness together with certifiable robustness bound. We also prove that this hinge regularized version is still the dual formulation of an optimal transportation problem, and has a solution. We also establish several geometrical properties of this optimal solution, and extend the approach to multi-class problems. Experiments show that the proposed approach provides the expected guarantees in terms of robustness without any significant accuracy drop. The adversarial examples, on the proposed models, visibly and meaningfully change the input providing an explanation for the classification.
We study the black-box attacks on graph neural networks (GNNs) under a novel and realistic constraint: attackers have access to only a subset of nodes in the network, and they can only attack a small number of them. A node selection step is essential under this setup. We demonstrate that the structural inductive biases of GNN models can be an effective source for this type of attacks. Specifically, by exploiting the connection between the backward propagation of GNNs and random walks, we show that the common gradient-based white-box attacks can be generalized to the black-box setting via the connection between the gradient and an importance score similar to PageRank. In practice, we find attacks based on this importance score indeed increase the classification loss by a large margin, but they fail to significantly increase the mis-classification rate. Our theoretical and empirical analyses suggest that there is a discrepancy between the loss and mis-classification rate, as the latter presents a diminishing-return pattern when the number of attacked nodes increases. Therefore, we propose a greedy procedure to correct the importance score that takes into account of the diminishing-return pattern. Experimental results show that the proposed procedure can significantly increase the mis-classification rate of common GNNs on real-world data without access to model parameters nor predictions.