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Deep neural networks have a good success record and are thus viewed as the best architecture choice for complex applications. Their main shortcoming has been, for a long time, the vanishing gradient which prevented the numerical optimization algorithms from acceptable convergence. A breakthrough has been achieved by the concept of residual connections -- an identity mapping parallel to a conventional layer. This concept is applicable to stacks of layers of the same dimension and substantially alleviates the vanishing gradient problem. A stack of residual connection layers can be expressed as an expansion of terms similar to the Taylor expansion. This expansion suggests the possibility of truncating the higher-order terms and receiving an architecture consisting of a single broad layer composed of all initially stacked layers in parallel. In other words, a sequential deep architecture is substituted by a parallel shallow one. Prompted by this theory, we investigated the performance capabilities of the parallel architecture in comparison to the sequential one. The computer vision datasets MNIST and CIFAR10 were used to train both architectures for a total of 6912 combinations of varying numbers of convolutional layers, numbers of filters, kernel sizes, and other meta parameters. Our findings demonstrate a surprising equivalence between the deep (sequential) and shallow (parallel) architectures. Both layouts produced similar results in terms of training and validation set loss. This discovery implies that a wide, shallow architecture can potentially replace a deep network without sacrificing performance. Such substitution has the potential to simplify network architectures, improve optimization efficiency, and accelerate the training process.

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DNNs trained on natural clean samples have been shown to perform poorly on corrupted samples, such as noisy or blurry images. Various data augmentation methods have been recently proposed to improve DNN's robustness against common corruptions. Despite their success, they require computationally expensive training and cannot be applied to off-the-shelf trained models. Recently, it has been shown that updating BatchNorm (BN) statistics of an off-the-shelf model on a single corruption improves its accuracy on that corruption significantly. However, adopting the idea at inference time when the type of corruption is unknown and changing decreases the effectiveness of this method. In this paper, we harness the Fourier domain to detect the corruption type, a challenging task in the image domain. We propose a unified framework consisting of a corruption-detection model and BN statistics update that improves the corruption accuracy of any off-the-shelf trained model. We benchmark our framework on different models and datasets. Our results demonstrate about 8% and 4% accuracy improvement on CIFAR10-C and ImageNet-C, respectively. Furthermore, our framework can further improve the accuracy of state-of-the-art robust models, such as AugMix and DeepAug.

Deep Kalman filters (DKFs) are a class of neural network models that generate Gaussian probability measures from sequential data. Though DKFs are inspired by the Kalman filter, they lack concrete theoretical ties to the stochastic filtering problem, thus limiting their applicability to areas where traditional model-based filters have been used, e.g.\ model calibration for bond and option prices in mathematical finance. We address this issue in the mathematical foundations of deep learning by exhibiting a class of continuous-time DKFs which can approximately implement the conditional law of a broad class of non-Markovian and conditionally Gaussian signal processes given noisy continuous-times measurements. Our approximation results hold uniformly over sufficiently regular compact subsets of paths, where the approximation error is quantified by the worst-case 2-Wasserstein distance computed uniformly over the given compact set of paths.

Denoising diffusion models have shown great promise in human motion synthesis conditioned on natural language descriptions. However, integrating spatial constraints, such as pre-defined motion trajectories and obstacles, remains a challenge despite being essential for bridging the gap between isolated human motion and its surrounding environment. To address this issue, we propose Guided Motion Diffusion (GMD), a method that incorporates spatial constraints into the motion generation process. Specifically, we propose an effective feature projection scheme that manipulates motion representation to enhance the coherency between spatial information and local poses. Together with a new imputation formulation, the generated motion can reliably conform to spatial constraints such as global motion trajectories. Furthermore, given sparse spatial constraints (e.g. sparse keyframes), we introduce a new dense guidance approach to turn a sparse signal, which is susceptible to being ignored during the reverse steps, into denser signals to guide the generated motion to the given constraints. Our extensive experiments justify the development of GMD, which achieves a significant improvement over state-of-the-art methods in text-based motion generation while allowing control of the synthesized motions with spatial constraints.

Adversarial attacks have the potential to mislead deep neural network classifiers by introducing slight perturbations. Developing algorithms that can mitigate the effects of these attacks is crucial for ensuring the safe use of artificial intelligence. Recent studies have suggested that score-based diffusion models are effective in adversarial defenses. However, existing diffusion-based defenses rely on the sequential simulation of the reversed stochastic differential equations of diffusion models, which are computationally inefficient and yield suboptimal results. In this paper, we introduce a novel adversarial defense scheme named ScoreOpt, which optimizes adversarial samples at test-time, towards original clean data in the direction guided by score-based priors. We conduct comprehensive experiments on multiple datasets, including CIFAR10, CIFAR100 and ImageNet. Our experimental results demonstrate that our approach outperforms existing adversarial defenses in terms of both robustness performance and inference speed.

Traditional supervised denoisers are trained using pairs of noisy input and clean target images. They learn to predict a central tendency of the posterior distribution over possible clean images. When, e.g., trained with the popular quadratic loss function, the network's output will correspond to the minimum mean square error (MMSE) estimate. Unsupervised denoisers based on Variational AutoEncoders (VAEs) have succeeded in achieving state-of-the-art results while requiring only unpaired noisy data as training input. In contrast to the traditional supervised approach, unsupervised denoisers do not directly produce a single prediction, such as the MMSE estimate, but allow us to draw samples from the posterior distribution of clean solutions corresponding to the noisy input. To approximate the MMSE estimate during inference, unsupervised methods have to create and draw a large number of samples - a computationally expensive process - rendering the approach inapplicable in many situations. Here, we present an alternative approach that trains a deterministic network alongside the VAE to directly predict a central tendency. Our method achieves results that surpass the results achieved by the unsupervised method at a fraction of the computational cost.

Deep neural networks are being increasingly implemented throughout society in recent years. It is useful to identify which parameters trigger misclassification in diagnosing undesirable model behaviors. The concept of parameter saliency is proposed and used to diagnose convolutional neural networks (CNNs) by ranking convolution filters that may have caused misclassification on the basis of parameter saliency. It is also shown that fine-tuning the top ranking salient filters has efficiently corrected misidentification on ImageNet. However, there is still a knowledge gap in terms of understanding why parameter saliency ranking can find the filters inducing misidentification. In this work, we attempt to bridge the gap by analyzing parameter saliency ranking from a statistical viewpoint, namely, extreme value theory. We first show that the existing work implicitly assumes that the gradient norm computed for each filter follows a normal distribution. Then, we clarify the relationship between parameter saliency and the score based on the peaks-over-threshold (POT) method, which is often used to model extreme values. Finally, we reformulate parameter saliency in terms of the POT method, where this reformulation is regarded as statistical anomaly detection and does not require the implicit assumptions of the existing parameter-saliency formulation. Our experimental results demonstrate that our reformulation can detect malicious filters as well. Furthermore, we show that the existing parameter saliency method exhibits a bias against the depth of layers in deep neural networks. In particular, this bias has the potential to inhibit the discovery of filters that cause misidentification in situations where domain shift occurs. In contrast, parameter saliency based on POT shows less of this bias.

Graph Neural Networks (GNNs) draw their strength from explicitly modeling the topological information of structured data. However, existing GNNs suffer from limited capability in capturing the hierarchical graph representation which plays an important role in graph classification. In this paper, we innovatively propose hierarchical graph capsule network (HGCN) that can jointly learn node embeddings and extract graph hierarchies. Specifically, disentangled graph capsules are established by identifying heterogeneous factors underlying each node, such that their instantiation parameters represent different properties of the same entity. To learn the hierarchical representation, HGCN characterizes the part-whole relationship between lower-level capsules (part) and higher-level capsules (whole) by explicitly considering the structure information among the parts. Experimental studies demonstrate the effectiveness of HGCN and the contribution of each component.

Recommender systems play a fundamental role in web applications in filtering massive information and matching user interests. While many efforts have been devoted to developing more effective models in various scenarios, the exploration on the explainability of recommender systems is running behind. Explanations could help improve user experience and discover system defects. In this paper, after formally introducing the elements that are related to model explainability, we propose a novel explainable recommendation model through improving the transparency of the representation learning process. Specifically, to overcome the representation entangling problem in traditional models, we revise traditional graph convolution to discriminate information from different layers. Also, each representation vector is factorized into several segments, where each segment relates to one semantic aspect in data. Different from previous work, in our model, factor discovery and representation learning are simultaneously conducted, and we are able to handle extra attribute information and knowledge. In this way, the proposed model can learn interpretable and meaningful representations for users and items. Unlike traditional methods that need to make a trade-off between explainability and effectiveness, the performance of our proposed explainable model is not negatively affected after considering explainability. Finally, comprehensive experiments are conducted to validate the performance of our model as well as explanation faithfulness.

Recent years have witnessed the emerging success of graph neural networks (GNNs) for modeling structured data. However, most GNNs are designed for homogeneous graphs, in which all nodes and edges belong to the same types, making them infeasible to represent heterogeneous structures. In this paper, we present the Heterogeneous Graph Transformer (HGT) architecture for modeling Web-scale heterogeneous graphs. To model heterogeneity, we design node- and edge-type dependent parameters to characterize the heterogeneous attention over each edge, empowering HGT to maintain dedicated representations for different types of nodes and edges. To handle dynamic heterogeneous graphs, we introduce the relative temporal encoding technique into HGT, which is able to capture the dynamic structural dependency with arbitrary durations. To handle Web-scale graph data, we design the heterogeneous mini-batch graph sampling algorithm---HGSampling---for efficient and scalable training. Extensive experiments on the Open Academic Graph of 179 million nodes and 2 billion edges show that the proposed HGT model consistently outperforms all the state-of-the-art GNN baselines by 9%--21% on various downstream tasks.

Link prediction for knowledge graphs is the task of predicting missing relationships between entities. Previous work on link prediction has focused on shallow, fast models which can scale to large knowledge graphs. However, these models learn less expressive features than deep, multi-layer models -- which potentially limits performance. In this work, we introduce ConvE, a multi-layer convolutional network model for link prediction, and report state-of-the-art results for several established datasets. We also show that the model is highly parameter efficient, yielding the same performance as DistMult and R-GCN with 8x and 17x fewer parameters. Analysis of our model suggests that it is particularly effective at modelling nodes with high indegree -- which are common in highly-connected, complex knowledge graphs such as Freebase and YAGO3. In addition, it has been noted that the WN18 and FB15k datasets suffer from test set leakage, due to inverse relations from the training set being present in the test set -- however, the extent of this issue has so far not been quantified. We find this problem to be severe: a simple rule-based model can achieve state-of-the-art results on both WN18 and FB15k. To ensure that models are evaluated on datasets where simply exploiting inverse relations cannot yield competitive results, we investigate and validate several commonly used datasets -- deriving robust variants where necessary. We then perform experiments on these robust datasets for our own and several previously proposed models, and find that ConvE achieves state-of-the-art Mean Reciprocal Rank across all datasets.

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