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The Transformer architecture has gained growing attention in graph representation learning recently, as it naturally overcomes several limitations of graph neural networks (GNNs) by avoiding their strict structural inductive biases and instead only encoding the graph structure via positional encoding. Here, we show that the node representations generated by the Transformer with positional encoding do not necessarily capture structural similarity between them. To address this issue, we propose the Structure-Aware Transformer, a class of simple and flexible graph Transformers built upon a new self-attention mechanism. This new self-attention incorporates structural information into the original self-attention by extracting a subgraph representation rooted at each node before computing the attention. We propose several methods for automatically generating the subgraph representation and show theoretically that the resulting representations are at least as expressive as the subgraph representations. Empirically, our method achieves state-of-the-art performance on five graph prediction benchmarks. Our structure-aware framework can leverage any existing GNN to extract the subgraph representation, and we show that it systematically improves performance relative to the base GNN model, successfully combining the advantages of GNNs and Transformers. Our code is available at //github.com/BorgwardtLab/SAT .

The recent success of Vision Transformers is shaking the long dominance of Convolutional Neural Networks (CNNs) in image recognition for a decade. Specifically, in terms of robustness on out-of-distribution samples, recent research finds that Transformers are inherently more robust than CNNs, regardless of different training setups. Moreover, it is believed that such superiority of Transformers should largely be credited to their self-attention-like architectures per se. In this paper, we question that belief by closely examining the design of Transformers. Our findings lead to three highly effective architecture designs for boosting robustness, yet simple enough to be implemented in several lines of code, namely a) patchifying input images, b) enlarging kernel size, and c) reducing activation layers and normalization layers. Bringing these components together, we are able to build pure CNN architectures without any attention-like operations that is as robust as, or even more robust than, Transformers. We hope this work can help the community better understand the design of robust neural architectures. The code is publicly available at //github.com/UCSC-VLAA/RobustCNN.

Generic Event Boundary Detection (GEBD) aims to detect moments where humans naturally perceive as event boundaries. In this paper, we present Structured Context Transformer (or SC-Transformer) to solve the GEBD task, which can be trained in an end-to-end fashion. Specifically, we use the backbone convolutional neural network (CNN) to extract the features of each video frame. To capture temporal context information of each frame, we design the structure context transformer (SC-Transformer) by re-partitioning input frame sequence. Note that, the overall computation complexity of SC-Transformer is linear to the video length. After that, the group similarities are computed to capture the differences between frames. Then, a lightweight fully convolutional network is used to determine the event boundaries based on the grouped similarity maps. To remedy the ambiguities of boundary annotations, the Gaussian kernel is adopted to preprocess the ground-truth event boundaries to further boost the accuracy. Extensive experiments conducted on the challenging Kinetics-GEBD and TAPOS datasets demonstrate the effectiveness of the proposed method compared to the state-of-the-art methods.

We report on a significant discovery linking deep convolutional neural networks (CNN) to biological vision and fundamental particle physics. A model of information propagation in a CNN is proposed via an analogy to an optical system, where bosonic particles (i.e. photons) are concentrated as the 2D spatial resolution of the image collapses to a focal point $1\times 1=1$. A 3D space $(x,y,t)$ is defined by $(x,y)$ coordinates in the image plane and CNN layer $t$, where a principal ray $(0,0,t)$ runs in the direction of information propagation through both the optical axis and the image center pixel located at $(x,y)=(0,0)$, about which the sharpest possible spatial focus is limited to a circle of confusion in the image plane. Our novel insight is to model the principal optical ray $(0,0,t)$ as geometrically equivalent to the medial vector in the positive orthant $I(x,y) \in R^{N+}$ of a $N$-channel activation space, e.g. along the greyscale (or luminance) vector $(t,t,t)$ in $RGB$ colour space. Information is thus concentrated into an energy potential $E(x,y,t)=\|I(x,y,t)\|^2$, which, particularly for bottleneck layers $t$ of generic CNNs, is highly concentrated and symmetric about the spatial origin $(0,0,t)$ and exhibits the well-known "Sombrero" potential of the boson particle. This symmetry is broken in classification, where bottleneck layers of generic pre-trained CNN models exhibit a consistent class-specific bias towards an angle $\theta \in U(1)$ defined simultaneously in the image plane and in activation feature space. Initial observations validate our hypothesis from generic pre-trained CNN activation maps and a bare-bones memory-based classification scheme, with no training or tuning. Training from scratch using a random $U(1)$ class label the leads to improved classification in all cases.

Transformers have achieved superior performances in many tasks in natural language processing and computer vision, which also intrigues great interests in the time series community. Among multiple advantages of transformers, the ability to capture long-range dependencies and interactions is especially attractive for time series modeling, leading to exciting progress in various time series applications. In this paper, we systematically review transformer schemes for time series modeling by highlighting their strengths as well as limitations through a new taxonomy to summarize existing time series transformers in two perspectives. From the perspective of network modifications, we summarize the adaptations of module level and architecture level of the time series transformers. From the perspective of applications, we categorize time series transformers based on common tasks including forecasting, anomaly detection, and classification. Empirically, we perform robust analysis, model size analysis, and seasonal-trend decomposition analysis to study how Transformers perform in time series. Finally, we discuss and suggest future directions to provide useful research guidance. To the best of our knowledge, this paper is the first work to comprehensively and systematically summarize the recent advances of Transformers for modeling time series data. We hope this survey will ignite further research interests in time series Transformers.

Convolutional neural networks (CNN) are the dominant deep neural network (DNN) architecture for computer vision. Recently, Transformer and multi-layer perceptron (MLP)-based models, such as Vision Transformer and MLP-Mixer, started to lead new trends as they showed promising results in the ImageNet classification task. In this paper, we conduct empirical studies on these DNN structures and try to understand their respective pros and cons. To ensure a fair comparison, we first develop a unified framework called SPACH which adopts separate modules for spatial and channel processing. Our experiments under the SPACH framework reveal that all structures can achieve competitive performance at a moderate scale. However, they demonstrate distinctive behaviors when the network size scales up. Based on our findings, we propose two hybrid models using convolution and Transformer modules. The resulting Hybrid-MS-S+ model achieves 83.9% top-1 accuracy with 63M parameters and 12.3G FLOPS. It is already on par with the SOTA models with sophisticated designs. The code and models will be made publicly available.

Learning disentanglement aims at finding a low dimensional representation which consists of multiple explanatory and generative factors of the observational data. The framework of variational autoencoder (VAE) is commonly used to disentangle independent factors from observations. However, in real scenarios, factors with semantics are not necessarily independent. Instead, there might be an underlying causal structure which renders these factors dependent. We thus propose a new VAE based framework named CausalVAE, which includes a Causal Layer to transform independent exogenous factors into causal endogenous ones that correspond to causally related concepts in data. We further analyze the model identifiabitily, showing that the proposed model learned from observations recovers the true one up to a certain degree. Experiments are conducted on various datasets, including synthetic and real word benchmark CelebA. Results show that the causal representations learned by CausalVAE are semantically interpretable, and their causal relationship as a Directed Acyclic Graph (DAG) is identified with good accuracy. Furthermore, we demonstrate that the proposed CausalVAE model is able to generate counterfactual data through "do-operation" to the causal factors.

In structure learning, the output is generally a structure that is used as supervision information to achieve good performance. Considering the interpretation of deep learning models has raised extended attention these years, it will be beneficial if we can learn an interpretable structure from deep learning models. In this paper, we focus on Recurrent Neural Networks (RNNs) whose inner mechanism is still not clearly understood. We find that Finite State Automaton (FSA) that processes sequential data has more interpretable inner mechanism and can be learned from RNNs as the interpretable structure. We propose two methods to learn FSA from RNN based on two different clustering methods. We first give the graphical illustration of FSA for human beings to follow, which shows the interpretability. From the FSA's point of view, we then analyze how the performance of RNNs are affected by the number of gates, as well as the semantic meaning behind the transition of numerical hidden states. Our results suggest that RNNs with simple gated structure such as Minimal Gated Unit (MGU) is more desirable and the transitions in FSA leading to specific classification result are associated with corresponding words which are understandable by human beings.

We study how to generate captions that are not only accurate in describing an image but also discriminative across different images. The problem is both fundamental and interesting, as most machine-generated captions, despite phenomenal research progresses in the past several years, are expressed in a very monotonic and featureless format. While such captions are normally accurate, they often lack important characteristics in human languages - distinctiveness for each caption and diversity for different images. To address this problem, we propose a novel conditional generative adversarial network for generating diverse captions across images. Instead of estimating the quality of a caption solely on one image, the proposed comparative adversarial learning framework better assesses the quality of captions by comparing a set of captions within the image-caption joint space. By contrasting with human-written captions and image-mismatched captions, the caption generator effectively exploits the inherent characteristics of human languages, and generates more discriminative captions. We show that our proposed network is capable of producing accurate and diverse captions across images.

Dense video captioning aims to generate text descriptions for all events in an untrimmed video. This involves both detecting and describing events. Therefore, all previous methods on dense video captioning tackle this problem by building two models, i.e. an event proposal and a captioning model, for these two sub-problems. The models are either trained separately or in alternation. This prevents direct influence of the language description to the event proposal, which is important for generating accurate descriptions. To address this problem, we propose an end-to-end transformer model for dense video captioning. The encoder encodes the video into appropriate representations. The proposal decoder decodes from the encoding with different anchors to form video event proposals. The captioning decoder employs a masking network to restrict its attention to the proposal event over the encoding feature. This masking network converts the event proposal to a differentiable mask, which ensures the consistency between the proposal and captioning during training. In addition, our model employs a self-attention mechanism, which enables the use of efficient non-recurrent structure during encoding and leads to performance improvements. We demonstrate the effectiveness of this end-to-end model on ActivityNet Captions and YouCookII datasets, where we achieved 10.12 and 6.58 METEOR score, respectively.