Daily Papers

Face recognition from image sets acquired under unregulated and uncontrolled settings, such as at large distances, low resolutions, varying viewpoints, illumination, pose, and atmospheric conditions, is challenging. Face feature aggregation, which involves aggregating a set of N feature representations present in a template into a single global representation, plays a pivotal role in such recognition systems. Existing works in traditional face feature aggregation either utilize metadata or high-dimensional intermediate feature representations to estimate feature quality for aggregation. However, generating high-quality metadata or style information is not feasible for extremely low-resolution faces captured in long-range and high altitude settings. To overcome these limitations, we propose a feature distribution conditioning approach called CoNAN for template aggregation. Specifically, our method aims to learn a context vector conditioned over the distribution information of the incoming feature set, which is utilized to weigh the features based on their estimated informativeness. The proposed method produces state-of-the-art results on long-range unconstrained face recognition datasets such as BTS, and DroneSURF, validating the advantages of such an aggregation strategy.

Modelling various spatio-temporal dependencies is the key to recognising human actions in skeleton sequences. Most existing methods excessively relied on the design of traversal rules or graph topologies to draw the dependencies of the dynamic joints, which is inadequate to reflect the relationships of the distant yet important joints. Furthermore, due to the locally adopted operations, the important long-range temporal information is therefore not well explored in existing works. To address this issue, in this work we propose LSTA-Net: a novel Long short-term Spatio-Temporal Aggregation Network, which can effectively capture the long/short-range dependencies in a spatio-temporal manner. We devise our model into a pure factorised architecture which can alternately perform spatial feature aggregation and temporal feature aggregation. To improve the feature aggregation effect, a channel-wise attention mechanism is also designed and employed. Extensive experiments were conducted on three public benchmark datasets, and the results suggest that our approach can capture both long-and-short range dependencies in the space and time domain, yielding higher results than other state-of-the-art methods. Code available at https://github.com/tailin1009/LSTA-Net.

Diffusion models have been shown to be capable of generating high-quality images, suggesting that they could contain meaningful internal representations. Unfortunately, the feature maps that encode a diffusion model's internal information are spread not only over layers of the network, but also over diffusion timesteps, making it challenging to extract useful descriptors. We propose Diffusion Hyperfeatures, a framework for consolidating multi-scale and multi-timestep feature maps into per-pixel feature descriptors that can be used for downstream tasks. These descriptors can be extracted for both synthetic and real images using the generation and inversion processes. We evaluate the utility of our Diffusion Hyperfeatures on the task of semantic keypoint correspondence: our method achieves superior performance on the SPair-71k real image benchmark. We also demonstrate that our method is flexible and transferable: our feature aggregation network trained on the inversion features of real image pairs can be used on the generation features of synthetic image pairs with unseen objects and compositions. Our code is available at https://diffusion-hyperfeatures.github.io.

This paper introduces a Transformer-based integrative feature and cost aggregation network designed for dense matching tasks. In the context of dense matching, many works benefit from one of two forms of aggregation: feature aggregation, which pertains to the alignment of similar features, or cost aggregation, a procedure aimed at instilling coherence in the flow estimates across neighboring pixels. In this work, we first show that feature aggregation and cost aggregation exhibit distinct characteristics and reveal the potential for substantial benefits stemming from the judicious use of both aggregation processes. We then introduce a simple yet effective architecture that harnesses self- and cross-attention mechanisms to show that our approach unifies feature aggregation and cost aggregation and effectively harnesses the strengths of both techniques. Within the proposed attention layers, the features and cost volume both complement each other, and the attention layers are interleaved through a coarse-to-fine design to further promote accurate correspondence estimation. Finally at inference, our network produces multi-scale predictions, computes their confidence scores, and selects the most confident flow for final prediction. Our framework is evaluated on standard benchmarks for semantic matching, and also applied to geometric matching, where we show that our approach achieves significant improvements compared to existing methods.

The way that information propagates in neural networks is of great importance. In this paper, we propose Path Aggregation Network (PANet) aiming at boosting information flow in proposal-based instance segmentation framework. Specifically, we enhance the entire feature hierarchy with accurate localization signals in lower layers by bottom-up path augmentation, which shortens the information path between lower layers and topmost feature. We present adaptive feature pooling, which links feature grid and all feature levels to make useful information in each feature level propagate directly to following proposal subnetworks. A complementary branch capturing different views for each proposal is created to further improve mask prediction. These improvements are simple to implement, with subtle extra computational overhead. Our PANet reaches the 1st place in the COCO 2017 Challenge Instance Segmentation task and the 2nd place in Object Detection task without large-batch training. It is also state-of-the-art on MVD and Cityscapes. Code is available at https://github.com/ShuLiu1993/PANet

Recent proposed neural network-based Temporal Action Detection (TAD) models are inherently limited to extracting the discriminative representations and modeling action instances with various lengths from complex scenes by shared-weights detection heads. Inspired by the successes in dynamic neural networks, in this paper, we build a novel dynamic feature aggregation (DFA) module that can simultaneously adapt kernel weights and receptive fields at different timestamps. Based on DFA, the proposed dynamic encoder layer aggregates the temporal features within the action time ranges and guarantees the discriminability of the extracted representations. Moreover, using DFA helps to develop a Dynamic TAD head (DyHead), which adaptively aggregates the multi-scale features with adjusted parameters and learned receptive fields better to detect the action instances with diverse ranges from videos. With the proposed encoder layer and DyHead, a new dynamic TAD model, DyFADet, achieves promising performance on a series of challenging TAD benchmarks, including HACS-Segment, THUMOS14, ActivityNet-1.3, Epic-Kitchen 100, Ego4D-Moment QueriesV1.0, and FineAction. Code is released to https://github.com/yangle15/DyFADet-pytorch.

Dichotomous Image Segmentation (DIS) has recently emerged towards high-precision object segmentation from high-resolution natural images. When designing an effective DIS model, the main challenge is how to balance the semantic dispersion of high-resolution targets in the small receptive field and the loss of high-precision details in the large receptive field. Existing methods rely on tedious multiple encoder-decoder streams and stages to gradually complete the global localization and local refinement. Human visual system captures regions of interest by observing them from multiple views. Inspired by it, we model DIS as a multi-view object perception problem and provide a parsimonious multi-view aggregation network (MVANet), which unifies the feature fusion of the distant view and close-up view into a single stream with one encoder-decoder structure. With the help of the proposed multi-view complementary localization and refinement modules, our approach established long-range, profound visual interactions across multiple views, allowing the features of the detailed close-up view to focus on highly slender structures.Experiments on the popular DIS-5K dataset show that our MVANet significantly outperforms state-of-the-art methods in both accuracy and speed. The source code and datasets will be publicly available at https://github.com/qianyu-dlut/MVANet{MVANet}.

Maintaining road pavement integrity is crucial for ensuring safe and efficient transportation. Conventional methods for assessing pavement condition are often laborious and susceptible to human error. This paper proposes YOLO9tr, a novel lightweight object detection model for pavement damage detection, leveraging the advancements of deep learning. YOLO9tr is based on the YOLOv9 architecture, incorporating a partial attention block that enhances feature extraction and attention mechanisms, leading to improved detection performance in complex scenarios. The model is trained on a comprehensive dataset comprising road damage images from multiple countries, including an expanded set of damage categories beyond the standard four. This broadened classification range allows for a more accurate and realistic assessment of pavement conditions. Comparative analysis demonstrates YOLO9tr's superior precision and inference speed compared to state-of-the-art models like YOLO8, YOLO9 and YOLO10, achieving a balance between computational efficiency and detection accuracy. The model achieves a high frame rate of up to 136 FPS, making it suitable for real-time applications such as video surveillance and automated inspection systems. The research presents an ablation study to analyze the impact of architectural modifications and hyperparameter variations on model performance, further validating the effectiveness of the partial attention block. The results highlight YOLO9tr's potential for practical deployment in real-time pavement condition monitoring, contributing to the development of robust and efficient solutions for maintaining safe and functional road infrastructure.

There still remains an extreme performance gap between Vision Transformers (ViTs) and Convolutional Neural Networks (CNNs) when training from scratch on small datasets, which is concluded to the lack of inductive bias. In this paper, we further consider this problem and point out two weaknesses of ViTs in inductive biases, that is, the spatial relevance and diverse channel representation. First, on spatial aspect, objects are locally compact and relevant, thus fine-grained feature needs to be extracted from a token and its neighbors. While the lack of data hinders ViTs to attend the spatial relevance. Second, on channel aspect, representation exhibits diversity on different channels. But the scarce data can not enable ViTs to learn strong enough representation for accurate recognition. To this end, we propose Dynamic Hybrid Vision Transformer (DHVT) as the solution to enhance the two inductive biases. On spatial aspect, we adopt a hybrid structure, in which convolution is integrated into patch embedding and multi-layer perceptron module, forcing the model to capture the token features as well as their neighboring features. On channel aspect, we introduce a dynamic feature aggregation module in MLP and a brand new "head token" design in multi-head self-attention module to help re-calibrate channel representation and make different channel group representation interacts with each other. The fusion of weak channel representation forms a strong enough representation for classification. With this design, we successfully eliminate the performance gap between CNNs and ViTs, and our DHVT achieves a series of state-of-the-art performance with a lightweight model, 85.68% on CIFAR-100 with 22.8M parameters, 82.3% on ImageNet-1K with 24.0M parameters. Code is available at https://github.com/ArieSeirack/DHVT.

The shared topology of human skeletons motivated the recent investigation of graph convolutional network (GCN) solutions for action recognition. However, the existing GCNs rely on the binary connection of two neighbouring vertices (joints) formed by an edge (bone), overlooking the potential of constructing multi-vertex convolution structures. In this paper we address this oversight and explore the merits of a hyper-graph convolutional network (Hyper-GCN) to achieve the aggregation of rich semantic information conveyed by skeleton vertices. In particular, our Hyper-GCN adaptively optimises multi-scale hyper-graphs during training, revealing the action-driven multi-vertex relations. Besides, virtual connections are often designed to support efficient feature aggregation, implicitly extending the spectrum of dependencies within the skeleton. By injecting virtual connections into hyper-graphs, the semantic clues of diverse action categories can be highlighted. The results of experiments conducted on the NTU-60, NTU-120, and NW-UCLA datasets, demonstrate the merits of our Hyper-GCN, compared to the state-of-the-art methods. Specifically, we outperform the existing solutions on NTU-120, achieving 90.2\% and 91.4\% in terms of the top-1 recognition accuracy on X-Sub and X-Set.

Vision transformers have gained popularity recently, leading to the development of new vision backbones with improved features and consistent performance gains. However, these advancements are not solely attributable to novel feature transformation designs; certain benefits also arise from advanced network-level and block-level architectures. This paper aims to identify the real gains of popular convolution and attention operators through a detailed study. We find that the key difference among these feature transformation modules, such as attention or convolution, lies in their spatial feature aggregation approach, known as the "spatial token mixer" (STM). To facilitate an impartial comparison, we introduce a unified architecture to neutralize the impact of divergent network-level and block-level designs. Subsequently, various STMs are integrated into this unified framework for comprehensive comparative analysis. Our experiments on various tasks and an analysis of inductive bias show a significant performance boost due to advanced network-level and block-level designs, but performance differences persist among different STMs. Our detailed analysis also reveals various findings about different STMs, such as effective receptive fields and invariance tests. All models and codes used in this study are publicly available at https://github.com/OpenGVLab/STM-Evaluation.

Recent progress in single-image super-resolution (SISR) has achieved remarkable performance, yet the computational costs of these methods remain a challenge for deployment on resource-constrained devices. Especially for transformer-based methods, the self-attention mechanism in such models brings great breakthroughs while incurring substantial computational costs. To tackle this issue, we introduce the Convolutional Transformer layer (ConvFormer) and the ConvFormer-based Super-Resolution network (CFSR), which offer an effective and efficient solution for lightweight image super-resolution tasks. In detail, CFSR leverages the large kernel convolution as the feature mixer to replace the self-attention module, efficiently modeling long-range dependencies and extensive receptive fields with a slight computational cost. Furthermore, we propose an edge-preserving feed-forward network, simplified as EFN, to obtain local feature aggregation and simultaneously preserve more high-frequency information. Extensive experiments demonstrate that CFSR can achieve an advanced trade-off between computational cost and performance when compared to existing lightweight SR methods. Compared to state-of-the-art methods, e.g. ShuffleMixer, the proposed CFSR achieves 0.39 dB gains on Urban100 dataset for x2 SR task while containing 26% and 31% fewer parameters and FLOPs, respectively. Code and pre-trained models are available at https://github.com/Aitical/CFSR.

The task of instance segmentation in remote sensing images, aiming at performing per-pixel labeling of objects at instance level, is of great importance for various civil applications. Despite previous successes, most existing instance segmentation methods designed for natural images encounter sharp performance degradations when they are directly applied to top-view remote sensing images. Through careful analysis, we observe that the challenges mainly come from the lack of discriminative object features due to severe scale variations, low contrasts, and clustered distributions. In order to address these problems, a novel context aggregation network (CATNet) is proposed to improve the feature extraction process. The proposed model exploits three lightweight plug-and-play modules, namely dense feature pyramid network (DenseFPN), spatial context pyramid (SCP), and hierarchical region of interest extractor (HRoIE), to aggregate global visual context at feature, spatial, and instance domains, respectively. DenseFPN is a multi-scale feature propagation module that establishes more flexible information flows by adopting inter-level residual connections, cross-level dense connections, and feature re-weighting strategy. Leveraging the attention mechanism, SCP further augments the features by aggregating global spatial context into local regions. For each instance, HRoIE adaptively generates RoI features for different downstream tasks. Extensive evaluations of the proposed scheme on iSAID, DIOR, NWPU VHR-10, and HRSID datasets demonstrate that the proposed approach outperforms state-of-the-arts under similar computational costs. Source code and pre-trained models are available at https://github.com/yeliudev/CATNet.

In the past years, YOLO-series models have emerged as the leading approaches in the area of real-time object detection. Many studies pushed up the baseline to a higher level by modifying the architecture, augmenting data and designing new losses. However, we find previous models still suffer from information fusion problem, although Feature Pyramid Network (FPN) and Path Aggregation Network (PANet) have alleviated this. Therefore, this study provides an advanced Gatherand-Distribute mechanism (GD) mechanism, which is realized with convolution and self-attention operations. This new designed model named as Gold-YOLO, which boosts the multi-scale feature fusion capabilities and achieves an ideal balance between latency and accuracy across all model scales. Additionally, we implement MAE-style pretraining in the YOLO-series for the first time, allowing YOLOseries models could be to benefit from unsupervised pretraining. Gold-YOLO-N attains an outstanding 39.9% AP on the COCO val2017 datasets and 1030 FPS on a T4 GPU, which outperforms the previous SOTA model YOLOv6-3.0-N with similar FPS by +2.4%. The PyTorch code is available at https://github.com/huawei-noah/Efficient-Computing/tree/master/Detection/Gold-YOLO, and the MindSpore code is available at https://gitee.com/mindspore/models/tree/master/research/cv/Gold_YOLO.

Large-scale image-language pretrained models, e.g., CLIP, have demonstrated remarkable proficiency in acquiring general multi-modal knowledge through web-scale image-text data. Despite the impressive performance of image-language models on various image tasks, how to effectively expand them on general video understanding remains an area of ongoing exploration. In this paper, we investigate the image-to-video transferring from the perspective of the model and the data, unveiling two key obstacles impeding the adaptation of image-language models: non-generalizable temporal modeling and partially misaligned video-text data. To address these challenges, we propose Spatial-Temporal Auxiliary Network with Mutual-guided alignment module (Mug-STAN), a simple yet effective framework extending image-text model to diverse video tasks and video-text data.Specifically, STAN adopts a branch structure with decomposed spatial-temporal modules to enable generalizable temporal modeling, while Mug suppresses misalignment by introducing token-wise feature aggregation of either modality from the other. Extensive experimental results verify Mug-STAN significantly improves adaptation of language-image pretrained models such as CLIP and CoCa at both video-text post-pretraining and finetuning stages. With our solution, state-of-the-art zero-shot and finetuning results on various downstream datasets, including MSR-VTT, DiDeMo, LSMDC, Kinetics-400, Something-Something-2, HMDB-51, UCF- 101, and AVA, are achieved. Moreover, by integrating pretrained Mug-STAN with the emerging multimodal dialogue model, we can realize zero-shot video chatting. Codes are available at https://github.com/farewellthree/STAN

Open-vocabulary detection (OVD) aims to detect objects beyond a predefined set of categories. As a pioneering model incorporating the YOLO series into OVD, YOLO-World is well-suited for scenarios prioritizing speed and efficiency.However, its performance is hindered by its neck feature fusion mechanism, which causes the quadratic complexity and the limited guided receptive fields.To address these limitations, we present Mamba-YOLO-World, a novel YOLO-based OVD model employing the proposed MambaFusion Path Aggregation Network (MambaFusion-PAN) as its neck architecture. Specifically, we introduce an innovative State Space Model-based feature fusion mechanism consisting of a Parallel-Guided Selective Scan algorithm and a Serial-Guided Selective Scan algorithm with linear complexity and globally guided receptive fields. It leverages multi-modal input sequences and mamba hidden states to guide the selective scanning process.Experiments demonstrate that our model outperforms the original YOLO-World on the COCO and LVIS benchmarks in both zero-shot and fine-tuning settings while maintaining comparable parameters and FLOPs. Additionally, it surpasses existing state-of-the-art OVD methods with fewer parameters and FLOPs.

This paper introduces SuperGlue, a neural network that matches two sets of local features by jointly finding correspondences and rejecting non-matchable points. Assignments are estimated by solving a differentiable optimal transport problem, whose costs are predicted by a graph neural network. We introduce a flexible context aggregation mechanism based on attention, enabling SuperGlue to reason about the underlying 3D scene and feature assignments jointly. Compared to traditional, hand-designed heuristics, our technique learns priors over geometric transformations and regularities of the 3D world through end-to-end training from image pairs. SuperGlue outperforms other learned approaches and achieves state-of-the-art results on the task of pose estimation in challenging real-world indoor and outdoor environments. The proposed method performs matching in real-time on a modern GPU and can be readily integrated into modern SfM or SLAM systems. The code and trained weights are publicly available at https://github.com/magicleap/SuperGluePretrainedNetwork.

We study the problem of recovering an underlying 3D shape from a set of images. Existing learning based approaches usually resort to recurrent neural nets, e.g., GRU, or intuitive pooling operations, e.g., max/mean poolings, to fuse multiple deep features encoded from input images. However, GRU based approaches are unable to consistently estimate 3D shapes given different permutations of the same set of input images as the recurrent unit is permutation variant. It is also unlikely to refine the 3D shape given more images due to the long-term memory loss of GRU. Commonly used pooling approaches are limited to capturing partial information, e.g., max/mean values, ignoring other valuable features. In this paper, we present a new feed-forward neural module, named AttSets, together with a dedicated training algorithm, named FASet, to attentively aggregate an arbitrarily sized deep feature set for multi-view 3D reconstruction. The AttSets module is permutation invariant, computationally efficient and flexible to implement, while the FASet algorithm enables the AttSets based network to be remarkably robust and generalize to an arbitrary number of input images. We thoroughly evaluate FASet and the properties of AttSets on multiple large public datasets. Extensive experiments show that AttSets together with FASet algorithm significantly outperforms existing aggregation approaches.

Network pruning reduces the computation costs of an over-parameterized network without performance damage. Prevailing pruning algorithms pre-define the width and depth of the pruned networks, and then transfer parameters from the unpruned network to pruned networks. To break the structure limitation of the pruned networks, we propose to apply neural architecture search to search directly for a network with flexible channel and layer sizes. The number of the channels/layers is learned by minimizing the loss of the pruned networks. The feature map of the pruned network is an aggregation of K feature map fragments (generated by K networks of different sizes), which are sampled based on the probability distribution.The loss can be back-propagated not only to the network weights, but also to the parameterized distribution to explicitly tune the size of the channels/layers. Specifically, we apply channel-wise interpolation to keep the feature map with different channel sizes aligned in the aggregation procedure. The maximum probability for the size in each distribution serves as the width and depth of the pruned network, whose parameters are learned by knowledge transfer, e.g., knowledge distillation, from the original networks. Experiments on CIFAR-10, CIFAR-100 and ImageNet demonstrate the effectiveness of our new perspective of network pruning compared to traditional network pruning algorithms. Various searching and knowledge transfer approaches are conducted to show the effectiveness of the two components. Code is at: https://github.com/D-X-Y/NAS-Projects.

The convolution layer has been the dominant feature extractor in computer vision for years. However, the spatial aggregation in convolution is basically a pattern matching process that applies fixed filters which are inefficient at modeling visual elements with varying spatial distributions. This paper presents a new image feature extractor, called the local relation layer, that adaptively determines aggregation weights based on the compositional relationship of local pixel pairs. With this relational approach, it can composite visual elements into higher-level entities in a more efficient manner that benefits semantic inference. A network built with local relation layers, called the Local Relation Network (LR-Net), is found to provide greater modeling capacity than its counterpart built with regular convolution on large-scale recognition tasks such as ImageNet classification.

Visual recognition requires rich representations that span levels from low to high, scales from small to large, and resolutions from fine to coarse. Even with the depth of features in a convolutional network, a layer in isolation is not enough: compounding and aggregating these representations improves inference of what and where. Architectural efforts are exploring many dimensions for network backbones, designing deeper or wider architectures, but how to best aggregate layers and blocks across a network deserves further attention. Although skip connections have been incorporated to combine layers, these connections have been "shallow" themselves, and only fuse by simple, one-step operations. We augment standard architectures with deeper aggregation to better fuse information across layers. Our deep layer aggregation structures iteratively and hierarchically merge the feature hierarchy to make networks with better accuracy and fewer parameters. Experiments across architectures and tasks show that deep layer aggregation improves recognition and resolution compared to existing branching and merging schemes. The code is at https://github.com/ucbdrive/dla.

Recently, learning-based algorithms have achieved promising performance on cross-spectral image patch matching, which, however, is still far from satisfactory for practical application. On the one hand, a lack of large-scale dataset with diverse scenes haunts its further improvement for learning-based algorithms, whose performances and generalization rely heavily on the dataset size and diversity. On the other hand, more emphasis has been put on feature relation in the spatial domain whereas the scale dependency between features has often been ignored, leading to performance degeneration especially when encountering significant appearance variations for cross-spectral patches. To address these issues, we publish, to be best of our knowledge, the largest visible and Long-wave Infrared (LWIR) image patch matching dataset, termed VL-CMIM, which contains 1300 pairs of strictly aligned visible and LWIR images and over 2 million patch pairs covering diverse scenes such as asteroid, field, country, build, street and water.In addition, a multi-domain feature relation learning network (MD-FRN) is proposed. Input by the features extracted from a four-branch network, both feature relations in spatial and scale domains are learned via a spatial correlation module (SCM) and multi-scale adaptive aggregation module (MSAG), respectively. To further aggregate the multi-domain relations, a deep domain interactive mechanism (DIM) is applied, where the learnt spatial-relation and scale-relation features are exchanged and further input into MSCRM and SCM. This mechanism allows our model to learn interactive cross-domain feature relations, leading to improved robustness to significant appearance changes due to different modality.

Transformer has recently gained considerable popularity in low-level vision tasks, including image super-resolution (SR). These networks utilize self-attention along different dimensions, spatial or channel, and achieve impressive performance. This inspires us to combine the two dimensions in Transformer for a more powerful representation capability. Based on the above idea, we propose a novel Transformer model, Dual Aggregation Transformer (DAT), for image SR. Our DAT aggregates features across spatial and channel dimensions, in the inter-block and intra-block dual manner. Specifically, we alternately apply spatial and channel self-attention in consecutive Transformer blocks. The alternate strategy enables DAT to capture the global context and realize inter-block feature aggregation. Furthermore, we propose the adaptive interaction module (AIM) and the spatial-gate feed-forward network (SGFN) to achieve intra-block feature aggregation. AIM complements two self-attention mechanisms from corresponding dimensions. Meanwhile, SGFN introduces additional non-linear spatial information in the feed-forward network. Extensive experiments show that our DAT surpasses current methods. Code and models are obtainable at https://github.com/zhengchen1999/DAT.

Semantic segmentation is a key technology for autonomous vehicles to understand the surrounding scenes. The appealing performances of contemporary models usually come at the expense of heavy computations and lengthy inference time, which is intolerable for self-driving. Using light-weight architectures (encoder-decoder or two-pathway) or reasoning on low-resolution images, recent methods realize very fast scene parsing, even running at more than 100 FPS on a single 1080Ti GPU. However, there is still a significant gap in performance between these real-time methods and the models based on dilation backbones. To tackle this problem, we proposed a family of efficient backbones specially designed for real-time semantic segmentation. The proposed deep dual-resolution networks (DDRNets) are composed of two deep branches between which multiple bilateral fusions are performed. Additionally, we design a new contextual information extractor named Deep Aggregation Pyramid Pooling Module (DAPPM) to enlarge effective receptive fields and fuse multi-scale context based on low-resolution feature maps. Our method achieves a new state-of-the-art trade-off between accuracy and speed on both Cityscapes and CamVid dataset. In particular, on a single 2080Ti GPU, DDRNet-23-slim yields 77.4% mIoU at 102 FPS on Cityscapes test set and 74.7% mIoU at 230 FPS on CamVid test set. With widely used test augmentation, our method is superior to most state-of-the-art models and requires much less computation. Codes and trained models are available online.

Vision Transformer and its variants have demonstrated great potential in various computer vision tasks. But conventional vision transformers often focus on global dependency at a coarse level, which suffer from a learning challenge on global relationships and fine-grained representation at a token level. In this paper, we introduce Multi-scale Attention Fusion into transformer (MAFormer), which explores local aggregation and global feature extraction in a dual-stream framework for visual recognition. We develop a simple but effective module to explore the full potential of transformers for visual representation by learning fine-grained and coarse-grained features at a token level and dynamically fusing them. Our Multi-scale Attention Fusion (MAF) block consists of: i) a local window attention branch that learns short-range interactions within windows, aggregating fine-grained local features; ii) global feature extraction through a novel Global Learning with Down-sampling (GLD) operation to efficiently capture long-range context information within the whole image; iii) a fusion module that self-explores the integration of both features via attention. Our MAFormer achieves state-of-the-art performance on common vision tasks. In particular, MAFormer-L achieves 85.9% Top-1 accuracy on ImageNet, surpassing CSWin-B and LV-ViT-L by 1.7% and 0.6% respectively. On MSCOCO, MAFormer outperforms the prior art CSWin by 1.7% mAPs on object detection and 1.4% on instance segmentation with similar-sized parameters, demonstrating the potential to be a general backbone network.

Ranking algorithms in traditional search engines are powered by enormous training data sets that are meticulously engineered and curated by a centralized entity. Decentralized peer-to-peer (p2p) networks such as torrenting applications and Web3 protocols deliberately eschew centralized databases and computational architectures when designing services and features. As such, robust search-and-rank algorithms designed for such domains must be engineered specifically for decentralized networks, and must be lightweight enough to operate on consumer-grade personal devices such as a smartphone or laptop computer. We introduce G-Rank, an unsupervised ranking algorithm designed exclusively for decentralized networks. We demonstrate that accurate, relevant ranking results can be achieved in fully decentralized networks without any centralized data aggregation, feature engineering, or model training. Furthermore, we show that such results are obtainable with minimal data preprocessing and computational overhead, and can still return highly relevant results even when a user's device is disconnected from the network. G-Rank is highly modular in design, is not limited to categorical data, and can be implemented in a variety of domains with minimal modification. The results herein show that unsupervised ranking models designed for decentralized p2p networks are not only viable, but worthy of further research.

Part-prototype networks (e.g., ProtoPNet, ProtoTree and ProtoPool) have attracted broad research interest for their intrinsic interpretability and comparable accuracy to non-interpretable counterparts. However, recent works find that the interpretability from prototypes is fragile, due to the semantic gap between the similarities in the feature space and that in the input space. In this work, we strive to address this challenge by making the first attempt to quantitatively and objectively evaluate the interpretability of the part-prototype networks. Specifically, we propose two evaluation metrics, termed as consistency score and stability score, to evaluate the explanation consistency across images and the explanation robustness against perturbations, respectively, both of which are essential for explanations taken into practice. Furthermore, we propose an elaborated part-prototype network with a shallow-deep feature alignment (SDFA) module and a score aggregation (SA) module to improve the interpretability of prototypes. We conduct systematical evaluation experiments and provide substantial discussions to uncover the interpretability of existing part-prototype networks. Experiments on three benchmarks across nine architectures demonstrate that our model achieves significantly superior performance to the state of the art, in both the accuracy and interpretability. Codes are available at https://github.com/hqhQAQ/EvalProtoPNet.

Self-supervised pre-trained features have consistently delivered state-of-art results in the field of natural language processing (NLP); however, their merits in the field of speech emotion recognition (SER) still need further investigation. In this paper we introduce a modular End-to- End (E2E) SER system based on an Upstream + Downstream architecture paradigm, which allows easy use/integration of a large variety of self-supervised features. Several SER experiments for predicting categorical emotion classes from the IEMOCAP dataset are performed. These experiments investigate interactions among fine-tuning of self-supervised feature models, aggregation of frame-level features into utterance-level features and back-end classification networks. The proposed monomodal speechonly based system not only achieves SOTA results, but also brings light to the possibility of powerful and well finetuned self-supervised acoustic features that reach results similar to the results achieved by SOTA multimodal systems using both Speech and Text modalities.

Graph neural networks (GNNs) emerged recently as a standard toolkit for learning from data on graphs. Current GNN designing works depend on immense human expertise to explore different message-passing mechanisms, and require manual enumeration to determine the proper message-passing depth. Inspired by the strong searching capability of neural architecture search (NAS) in CNN, this paper proposes Graph Neural Architecture Search (GNAS) with novel-designed search space. The GNAS can automatically learn better architecture with the optimal depth of message passing on the graph. Specifically, we design Graph Neural Architecture Paradigm (GAP) with tree-topology computation procedure and two types of fine-grained atomic operations (feature filtering and neighbor aggregation) from message-passing mechanism to construct powerful graph network search space. Feature filtering performs adaptive feature selection, and neighbor aggregation captures structural information and calculates neighbors' statistics. Experiments show that our GNAS can search for better GNNs with multiple message-passing mechanisms and optimal message-passing depth. The searched network achieves remarkable improvement over state-of-the-art manual designed and search-based GNNs on five large-scale datasets at three classical graph tasks. Codes can be found at https://github.com/phython96/GNAS-MP.

The Text-to-SQL task, aiming to translate the natural language of the questions into SQL queries, has drawn much attention recently. One of the most challenging problems of Text-to-SQL is how to generalize the trained model to the unseen database schemas, also known as the cross-domain Text-to-SQL task. The key lies in the generalizability of (i) the encoding method to model the question and the database schema and (ii) the question-schema linking method to learn the mapping between words in the question and tables/columns in the database schema. Focusing on the above two key issues, we propose a Structure-Aware Dual Graph Aggregation Network (SADGA) for cross-domain Text-to-SQL. In SADGA, we adopt the graph structure to provide a unified encoding model for both the natural language question and database schema. Based on the proposed unified modeling, we further devise a structure-aware aggregation method to learn the mapping between the question-graph and schema-graph. The structure-aware aggregation method is featured with Global Graph Linking, Local Graph Linking, and Dual-Graph Aggregation Mechanism. We not only study the performance of our proposal empirically but also achieved 3rd place on the challenging Text-to-SQL benchmark Spider at the time of writing.

Node features and structural information of a graph are both crucial for semi-supervised node classification problems. A variety of graph neural network (GNN) based approaches have been proposed to tackle these problems, which typically determine output labels through feature aggregation. This can be problematic, as it implies conditional independence of output nodes given hidden representations, despite their direct connections in the graph. To learn the direct influence among output nodes in a graph, we propose the Explicit Pairwise Factorized Graph Neural Network (EPFGNN), which models the whole graph as a partially observed Markov Random Field. It contains explicit pairwise factors to model output-output relations and uses a GNN backbone to model input-output relations. To balance model complexity and expressivity, the pairwise factors have a shared component and a separate scaling coefficient for each edge. We apply the EM algorithm to train our model, and utilize a star-shaped piecewise likelihood for the tractable surrogate objective. We conduct experiments on various datasets, which shows that our model can effectively improve the performance for semi-supervised node classification on graphs.

We propose an effective lightweight dynamic local and global self-attention network (DLGSANet) to solve image super-resolution. Our method explores the properties of Transformers while having low computational costs. Motivated by the network designs of Transformers, we develop a simple yet effective multi-head dynamic local self-attention (MHDLSA) module to extract local features efficiently. In addition, we note that existing Transformers usually explore all similarities of the tokens between the queries and keys for the feature aggregation. However, not all the tokens from the queries are relevant to those in keys, using all the similarities does not effectively facilitate the high-resolution image reconstruction. To overcome this problem, we develop a sparse global self-attention (SparseGSA) module to select the most useful similarity values so that the most useful global features can be better utilized for the high-resolution image reconstruction. We develop a hybrid dynamic-Transformer block(HDTB) that integrates the MHDLSA and SparseGSA for both local and global feature exploration. To ease the network training, we formulate the HDTBs into a residual hybrid dynamic-Transformer group (RHDTG). By embedding the RHDTGs into an end-to-end trainable network, we show that our proposed method has fewer network parameters and lower computational costs while achieving competitive performance against state-of-the-art ones in terms of accuracy. More information is available at https://neonleexiang.github.io/DLGSANet/

In this paper, we propose a scene-level inverse rendering framework that uses multi-view images to decompose the scene into geometry, SVBRDF, and 3D spatially-varying lighting. While multi-view images have been widely used for object-level inverse rendering, scene-level inverse rendering has primarily been studied using single-view images due to the lack of a dataset containing high dynamic range multi-view images with ground-truth geometry, material, and spatially-varying lighting. To improve the quality of scene-level inverse rendering, a novel framework called Multi-view Attention Inverse Rendering (MAIR) was recently introduced. MAIR performs scene-level multi-view inverse rendering by expanding the OpenRooms dataset, designing efficient pipelines to handle multi-view images, and splitting spatially-varying lighting. Although MAIR showed impressive results, its lighting representation is fixed to spherical Gaussians, which limits its ability to render images realistically. Consequently, MAIR cannot be directly used in applications such as material editing. Moreover, its multi-view aggregation networks have difficulties extracting rich features because they only focus on the mean and variance between multi-view features. In this paper, we propose its extended version, called MAIR++. MAIR++ addresses the aforementioned limitations by introducing an implicit lighting representation that accurately captures the lighting conditions of an image while facilitating realistic rendering. Furthermore, we design a directional attention-based multi-view aggregation network to infer more intricate relationships between views. Experimental results show that MAIR++ not only achieves better performance than MAIR and single-view-based methods, but also displays robust performance on unseen real-world scenes.

Recent studies on Graph Convolutional Networks (GCNs) reveal that the initial node representations (i.e., the node representations before the first-time graph convolution) largely affect the final model performance. However, when learning the initial representation for a node, most existing work linearly combines the embeddings of node features, without considering the interactions among the features (or feature embeddings). We argue that when the node features are categorical, e.g., in many real-world applications like user profiling and recommender system, feature interactions usually carry important signals for predictive analytics. Ignoring them will result in suboptimal initial node representation and thus weaken the effectiveness of the follow-up graph convolution. In this paper, we propose a new GCN model named CatGCN, which is tailored for graph learning when the node features are categorical. Specifically, we integrate two ways of explicit interaction modeling into the learning of initial node representation, i.e., local interaction modeling on each pair of node features and global interaction modeling on an artificial feature graph. We then refine the enhanced initial node representations with the neighborhood aggregation-based graph convolution. We train CatGCN in an end-to-end fashion and demonstrate it on semi-supervised node classification. Extensive experiments on three tasks of user profiling (the prediction of user age, city, and purchase level) from Tencent and Alibaba datasets validate the effectiveness of CatGCN, especially the positive effect of performing feature interaction modeling before graph convolution.

For many segmentation tasks, especially for the biomedical image, the topological prior is vital information which is useful to exploit. The containment/nesting is a typical inter-class geometric relationship. In the MICCAI Brain tumor segmentation challenge, with its three hierarchically nested classes 'whole tumor', 'tumor core', 'active tumor', the nested classes relationship is introduced into the 3D-residual-Unet architecture. The network comprises a context aggregation pathway and a localization pathway, which encodes increasingly abstract representation of the input as going deeper into the network, and then recombines these representations with shallower features to precisely localize the interest domain via a localization path. The nested-class-prior is combined by proposing the multi-class activation function and its corresponding loss function. The model is trained on the training dataset of Brats2018, and 20% of the dataset is regarded as the validation dataset to determine parameters. When the parameters are fixed, we retrain the model on the whole training dataset. The performance achieved on the validation leaderboard is 86%, 77% and 72% Dice scores for the whole tumor, enhancing tumor and tumor core classes without relying on ensembles or complicated post-processing steps. Based on the same start-of-the-art network architecture, the accuracy of nested-class (enhancing tumor) is reasonably improved from 69% to 72% compared with the traditional Softmax-based method which blind to topological prior.

Domain Generalization (DG) is a fundamental challenge for machine learning models, which aims to improve model generalization on various domains. Previous methods focus on generating domain invariant features from various source domains. However, we argue that the domain variantions also contain useful information, ie, classification-aware information, for downstream tasks, which has been largely ignored. Different from learning domain invariant features from source domains, we decouple the input images into Domain Expert Features and noise. The proposed domain expert features lie in a learned latent space where the images in each domain can be classified independently, enabling the implicit use of classification-aware domain variations. Based on the analysis, we proposed a novel paradigm called Domain Disentanglement Network (DDN) to disentangle the domain expert features from the source domain images and aggregate the source domain expert features for representing the target test domain. We also propound a new contrastive learning method to guide the domain expert features to form a more balanced and separable feature space. Experiments on the widely-used benchmarks of PACS, VLCS, OfficeHome, DomainNet, and TerraIncognita demonstrate the competitive performance of our method compared to the recently proposed alternatives.

Natural image matting aims to estimate the alpha matte of the foreground from a given image. Various approaches have been explored to address this problem, such as interactive matting methods that use guidance such as click or trimap, and automatic matting methods tailored to specific objects. However, existing matting methods are designed for specific objects or guidance, neglecting the common requirement of aggregating global and local contexts in image matting. As a result, these methods often encounter challenges in accurately identifying the foreground and generating precise boundaries, which limits their effectiveness in unforeseen scenarios. In this paper, we propose a simple and universal matting framework, named Dual-Context Aggregation Matting (DCAM), which enables robust image matting with arbitrary guidance or without guidance. Specifically, DCAM first adopts a semantic backbone network to extract low-level features and context features from the input image and guidance. Then, we introduce a dual-context aggregation network that incorporates global object aggregators and local appearance aggregators to iteratively refine the extracted context features. By performing both global contour segmentation and local boundary refinement, DCAM exhibits robustness to diverse types of guidance and objects. Finally, we adopt a matting decoder network to fuse the low-level features and the refined context features for alpha matte estimation. Experimental results on five matting datasets demonstrate that the proposed DCAM outperforms state-of-the-art matting methods in both automatic matting and interactive matting tasks, which highlights the strong universality and high performance of DCAM. The source code is available at https://github.com/Windaway/DCAM.

Innovations like protein diffusion have enabled significant progress in de novo protein design, which is a vital topic in life science. These methods typically depend on protein structure encoders to model residue backbone frames, where atoms do not exist. Most prior encoders rely on atom-wise features, such as angles and distances between atoms, which are not available in this context. Thus far, only several simple encoders, such as IPA, have been proposed for this scenario, exposing the frame modeling as a bottleneck. In this work, we proffer the Vector Field Network (VFN), which enables network layers to perform learnable vector computations between coordinates of frame-anchored virtual atoms, thus achieving a higher capability for modeling frames. The vector computation operates in a manner similar to a linear layer, with each input channel receiving 3D virtual atom coordinates instead of scalar values. The multiple feature vectors output by the vector computation are then used to update the residue representations and virtual atom coordinates via attention aggregation. Remarkably, VFN also excels in modeling both frames and atoms, as the real atoms can be treated as the virtual atoms for modeling, positioning VFN as a potential universal encoder. In protein diffusion (frame modeling), VFN exhibits an impressive performance advantage over IPA, excelling in terms of both designability (67.04% vs. 53.58%) and diversity (66.54% vs. 51.98%). In inverse folding (frame and atom modeling), VFN outperforms the previous SoTA model, PiFold (54.7% vs. 51.66%), on sequence recovery rate. We also propose a method of equipping VFN with the ESM model, which significantly surpasses the previous ESM-based SoTA (62.67% vs. 55.65%), LM-Design, by a substantial margin.

Current speaker verification techniques rely on a neural network to extract speaker representations. The successful x-vector architecture is a Time Delay Neural Network (TDNN) that applies statistics pooling to project variable-length utterances into fixed-length speaker characterizing embeddings. In this paper, we propose multiple enhancements to this architecture based on recent trends in the related fields of face verification and computer vision. Firstly, the initial frame layers can be restructured into 1-dimensional Res2Net modules with impactful skip connections. Similarly to SE-ResNet, we introduce Squeeze-and-Excitation blocks in these modules to explicitly model channel interdependencies. The SE block expands the temporal context of the frame layer by rescaling the channels according to global properties of the recording. Secondly, neural networks are known to learn hierarchical features, with each layer operating on a different level of complexity. To leverage this complementary information, we aggregate and propagate features of different hierarchical levels. Finally, we improve the statistics pooling module with channel-dependent frame attention. This enables the network to focus on different subsets of frames during each of the channel's statistics estimation. The proposed ECAPA-TDNN architecture significantly outperforms state-of-the-art TDNN based systems on the VoxCeleb test sets and the 2019 VoxCeleb Speaker Recognition Challenge.

Convolutional neural networks (CNNs) have so far been the de-facto model for visual data. Recent work has shown that (Vision) Transformer models (ViT) can achieve comparable or even superior performance on image classification tasks. This raises a central question: how are Vision Transformers solving these tasks? Are they acting like convolutional networks, or learning entirely different visual representations? Analyzing the internal representation structure of ViTs and CNNs on image classification benchmarks, we find striking differences between the two architectures, such as ViT having more uniform representations across all layers. We explore how these differences arise, finding crucial roles played by self-attention, which enables early aggregation of global information, and ViT residual connections, which strongly propagate features from lower to higher layers. We study the ramifications for spatial localization, demonstrating ViTs successfully preserve input spatial information, with noticeable effects from different classification methods. Finally, we study the effect of (pretraining) dataset scale on intermediate features and transfer learning, and conclude with a discussion on connections to new architectures such as the MLP-Mixer.

Graph neural networks aim to learn representations for graph-structured data and show impressive performance, particularly in node classification. Recently, many methods have studied the representations of GNNs from the perspective of optimization goals and spectral graph theory. However, the feature space that dominates representation learning has not been systematically studied in graph neural networks. In this paper, we propose to fill this gap by analyzing the feature space of both spatial and spectral models. We decompose graph neural networks into determined feature spaces and trainable weights, providing the convenience of studying the feature space explicitly using matrix space analysis. In particular, we theoretically find that the feature space tends to be linearly correlated due to repeated aggregations. Motivated by these findings, we propose 1) feature subspaces flattening and 2) structural principal components to expand the feature space. Extensive experiments verify the effectiveness of our proposed more comprehensive feature space, with comparable inference time to the baseline, and demonstrate its efficient convergence capability.

Graph neural networks (GNNs) have been shown to be highly sensitive to the choice of aggregation function. While summing over a node's neighbours can approximate any permutation-invariant function over discrete inputs, Cohen-Karlik et al. [2020] proved there are set-aggregation problems for which summing cannot generalise to unbounded inputs, proposing recurrent neural networks regularised towards permutation-invariance as a more expressive aggregator. We show that these results carry over to the graph domain: GNNs equipped with recurrent aggregators are competitive with state-of-the-art permutation-invariant aggregators, on both synthetic benchmarks and real-world problems. However, despite the benefits of recurrent aggregators, their O(V) depth makes them both difficult to parallelise and harder to train on large graphs. Inspired by the observation that a well-behaved aggregator for a GNN is a commutative monoid over its latent space, we propose a framework for constructing learnable, commutative, associative binary operators. And with this, we construct an aggregator of O(log V) depth, yielding exponential improvements for both parallelism and dependency length while achieving performance competitive with recurrent aggregators. Based on our empirical observations, our proposed learnable commutative monoid (LCM) aggregator represents a favourable tradeoff between efficient and expressive aggregators.

We explore a key architectural aspect of deep convolutional neural networks: the pattern of internal skip connections used to aggregate outputs of earlier layers for consumption by deeper layers. Such aggregation is critical to facilitate training of very deep networks in an end-to-end manner. This is a primary reason for the widespread adoption of residual networks, which aggregate outputs via cumulative summation. While subsequent works investigate alternative aggregation operations (e.g. concatenation), we focus on an orthogonal question: which outputs to aggregate at a particular point in the network. We propose a new internal connection structure which aggregates only a sparse set of previous outputs at any given depth. Our experiments demonstrate this simple design change offers superior performance with fewer parameters and lower computational requirements. Moreover, we show that sparse aggregation allows networks to scale more robustly to 1000+ layers, thereby opening future avenues for training long-running visual processes.

We present a novel learning-based approach to graph representations of road networks employing state-of-the-art graph convolutional neural networks. Our approach is applied to realistic road networks of 17 cities from Open Street Map. While edge features are crucial to generate descriptive graph representations of road networks, graph convolutional networks usually rely on node features only. We show that the highly representative edge features can still be integrated into such networks by applying a line graph transformation. We also propose a method for neighborhood sampling based on a topological neighborhood composed of both local and global neighbors. We compare the performance of learning representations using different types of neighborhood aggregation functions in transductive and inductive tasks and in supervised and unsupervised learning. Furthermore, we propose a novel aggregation approach, Graph Attention Isomorphism Network, GAIN. Our results show that GAIN outperforms state-of-the-art methods on the road type classification problem.

Graph Neural Networks (GNNs) have achieved remarkable performance on graph-based tasks. The key idea for GNNs is to obtain informative representation through aggregating information from local neighborhoods. However, it remains an open question whether the neighborhood information is adequately aggregated for learning representations of nodes with few neighbors. To address this, we propose a simple and efficient data augmentation strategy, local augmentation, to learn the distribution of the node features of the neighbors conditioned on the central node's feature and enhance GNN's expressive power with generated features. Local augmentation is a general framework that can be applied to any GNN model in a plug-and-play manner. It samples feature vectors associated with each node from the learned conditional distribution as additional input for the backbone model at each training iteration. Extensive experiments and analyses show that local augmentation consistently yields performance improvement when applied to various GNN architectures across a diverse set of benchmarks. For example, experiments show that plugging in local augmentation to GCN and GAT improves by an average of 3.4\% and 1.6\% in terms of test accuracy on Cora, Citeseer, and Pubmed. Besides, our experimental results on large graphs (OGB) show that our model consistently improves performance over backbones. Code is available at https://github.com/SongtaoLiu0823/LAGNN.

In this paper, we proposed a effective but extensible residual one-dimensional convolution neural network as base network, based on the this network, we proposed four subnets to explore the features of skeleton sequences from each aspect. Given a skeleton sequences, the spatial information are encoded into the skeleton joints coordinate in a frame and the temporal information are present by multiple frames. Limited by the skeleton sequence representations, two-dimensional convolution neural network cannot be used directly, we chose one-dimensional convolution layer as the basic layer. Each sub network could extract discriminative features from different aspects. Our first subnet is a two-stream network which could explore both temporal and spatial information. The second is a body-parted network, which could gain micro spatial features and macro temporal features. The third one is an attention network, the main contribution of which is to focus the key frames and feature channels which high related with the action classes in a skeleton sequence. One frame-difference network, as the last subnet, mainly processes the joints changes between the consecutive frames. Four subnets ensemble together by late fusion, the key problem of ensemble method is each subnet should have a certain performance and between the subnets, there are diversity existing. Each subnet shares a wellperformance basenet and differences between subnets guaranteed the diversity. Experimental results show that the ensemble network gets a state-of-the-art performance on three widely used datasets.

Graph neural networks (GNNs) have recently become the standard approach for learning with graph-structured data. Prior work has shed light into their potential, but also their limitations. Unfortunately, it was shown that standard GNNs are limited in their expressive power. These models are no more powerful than the 1-dimensional Weisfeiler-Leman (1-WL) algorithm in terms of distinguishing non-isomorphic graphs. In this paper, we propose Path Neural Networks (PathNNs), a model that updates node representations by aggregating paths emanating from nodes. We derive three different variants of the PathNN model that aggregate single shortest paths, all shortest paths and all simple paths of length up to K. We prove that two of these variants are strictly more powerful than the 1-WL algorithm, and we experimentally validate our theoretical results. We find that PathNNs can distinguish pairs of non-isomorphic graphs that are indistinguishable by 1-WL, while our most expressive PathNN variant can even distinguish between 3-WL indistinguishable graphs. The different PathNN variants are also evaluated on graph classification and graph regression datasets, where in most cases, they outperform the baseline methods.

Graph neural networks have shown significant success in the field of graph representation learning. Graph convolutions perform neighborhood aggregation and represent one of the most important graph operations. Nevertheless, one layer of these neighborhood aggregation methods only consider immediate neighbors, and the performance decreases when going deeper to enable larger receptive fields. Several recent studies attribute this performance deterioration to the over-smoothing issue, which states that repeated propagation makes node representations of different classes indistinguishable. In this work, we study this observation systematically and develop new insights towards deeper graph neural networks. First, we provide a systematical analysis on this issue and argue that the key factor compromising the performance significantly is the entanglement of representation transformation and propagation in current graph convolution operations. After decoupling these two operations, deeper graph neural networks can be used to learn graph node representations from larger receptive fields. We further provide a theoretical analysis of the above observation when building very deep models, which can serve as a rigorous and gentle description of the over-smoothing issue. Based on our theoretical and empirical analysis, we propose Deep Adaptive Graph Neural Network (DAGNN) to adaptively incorporate information from large receptive fields. A set of experiments on citation, co-authorship, and co-purchase datasets have confirmed our analysis and insights and demonstrated the superiority of our proposed methods.

Graph neural networks (GNN) has been successfully applied to operate on the graph-structured data. Given a specific scenario, rich human expertise and tremendous laborious trials are usually required to identify a suitable GNN architecture. It is because the performance of a GNN architecture is significantly affected by the choice of graph convolution components, such as aggregate function and hidden dimension. Neural architecture search (NAS) has shown its potential in discovering effective deep architectures for learning tasks in image and language modeling. However, existing NAS algorithms cannot be directly applied to the GNN search problem. First, the search space of GNN is different from the ones in existing NAS work. Second, the representation learning capacity of GNN architecture changes obviously with slight architecture modifications. It affects the search efficiency of traditional search methods. Third, widely used techniques in NAS such as parameter sharing might become unstable in GNN. To bridge the gap, we propose the automated graph neural networks (AGNN) framework, which aims to find an optimal GNN architecture within a predefined search space. A reinforcement learning based controller is designed to greedily validate architectures via small steps. AGNN has a novel parameter sharing strategy that enables homogeneous architectures to share parameters, based on a carefully-designed homogeneity definition. Experiments on real-world benchmark datasets demonstrate that the GNN architecture identified by AGNN achieves the best performance, comparing with existing handcrafted models and tradistional search methods.

Graph Convolutional Networks (GCNs) have been drawing significant attention with the power of representation learning on graphs. Unlike Convolutional Neural Networks (CNNs), which are able to take advantage of stacking very deep layers, GCNs suffer from vanishing gradient, over-smoothing and over-fitting issues when going deeper. These challenges limit the representation power of GCNs on large-scale graphs. This paper proposes DeeperGCN that is capable of successfully and reliably training very deep GCNs. We define differentiable generalized aggregation functions to unify different message aggregation operations (e.g. mean, max). We also propose a novel normalization layer namely MsgNorm and a pre-activation version of residual connections for GCNs. Extensive experiments on Open Graph Benchmark (OGB) show DeeperGCN significantly boosts performance over the state-of-the-art on the large scale graph learning tasks of node property prediction and graph property prediction. Please visit https://www.deepgcns.org for more information.

The expressivity of Graph Neural Networks (GNNs) is dependent on the aggregation functions they employ. Theoretical works have pointed towards Sum aggregation GNNs subsuming every other GNNs, while certain practical works have observed a clear advantage to using Mean and Max. An examination of the theoretical guarantee identifies two caveats. First, it is size-restricted, that is, the power of every specific GNN is limited to graphs of a specific size. Successfully processing larger graphs may require an other GNN, and so on. Second, it concerns the power to distinguish non-isomorphic graphs, not the power to approximate general functions on graphs, and the former does not necessarily imply the latter. It is desired that a GNN's usability will not be limited to graphs of any specific size. Therefore, we explore the realm of unrestricted-size expressivity. We prove that basic functions, which can be computed exactly by Mean or Max GNNs, are inapproximable by any Sum GNN. We prove that under certain restrictions, every Mean or Max GNN can be approximated by a Sum GNN, but even there, a combination of (Sum, [Mean/Max]) is more expressive than Sum alone. Lastly, we prove further expressivity limitations for GNNs with a broad class of aggregations.

We show how to augment any convolutional network with an attention-based global map to achieve non-local reasoning. We replace the final average pooling by an attention-based aggregation layer akin to a single transformer block, that weights how the patches are involved in the classification decision. We plug this learned aggregation layer with a simplistic patch-based convolutional network parametrized by 2 parameters (width and depth). In contrast with a pyramidal design, this architecture family maintains the input patch resolution across all the layers. It yields surprisingly competitive trade-offs between accuracy and complexity, in particular in terms of memory consumption, as shown by our experiments on various computer vision tasks: object classification, image segmentation and detection.

Click-Through Rate prediction is an important task in recommender systems, which aims to estimate the probability of a user to click on a given item. Recently, many deep models have been proposed to learn low-order and high-order feature interactions from original features. However, since useful interactions are always sparse, it is difficult for DNN to learn them effectively under a large number of parameters. In real scenarios, artificial features are able to improve the performance of deep models (such as Wide & Deep Learning), but feature engineering is expensive and requires domain knowledge, making it impractical in different scenarios. Therefore, it is necessary to augment feature space automatically. In this paper, We propose a novel Feature Generation by Convolutional Neural Network (FGCNN) model with two components: Feature Generation and Deep Classifier. Feature Generation leverages the strength of CNN to generate local patterns and recombine them to generate new features. Deep Classifier adopts the structure of IPNN to learn interactions from the augmented feature space. Experimental results on three large-scale datasets show that FGCNN significantly outperforms nine state-of-the-art models. Moreover, when applying some state-of-the-art models as Deep Classifier, better performance is always achieved, showing the great compatibility of our FGCNN model. This work explores a novel direction for CTR predictions: it is quite useful to reduce the learning difficulties of DNN by automatically identifying important features.

Artificial neural nets can represent and classify many types of data but are often tailored to particular applications -- e.g., for "fair" or "hierarchical" classification. Once an architecture has been selected, it is often difficult for humans to adjust models for a new task; for example, a hierarchical classifier cannot be easily transformed into a fair classifier that shields a protected field. Our contribution in this work is a new neural network architecture, the concept subspace network (CSN), which generalizes existing specialized classifiers to produce a unified model capable of learning a spectrum of multi-concept relationships. We demonstrate that CSNs reproduce state-of-the-art results in fair classification when enforcing concept independence, may be transformed into hierarchical classifiers, or even reconcile fairness and hierarchy within a single classifier. The CSN is inspired by existing prototype-based classifiers that promote interpretability.

There often is a dilemma between ease of optimization and robust out-of-distribution (OoD) generalization. For instance, many OoD methods rely on penalty terms whose optimization is challenging. They are either too strong to optimize reliably or too weak to achieve their goals. We propose to initialize the networks with a rich representation containing a palette of potentially useful features, ready to be used by even simple models. On the one hand, a rich representation provides a good initialization for the optimizer. On the other hand, it also provides an inductive bias that helps OoD generalization. Such a representation is constructed with the Rich Feature Construction (RFC) algorithm, also called the Bonsai algorithm, which consists of a succession of training episodes. During discovery episodes, we craft a multi-objective optimization criterion and its associated datasets in a manner that prevents the network from using the features constructed in the previous iterations. During synthesis episodes, we use knowledge distillation to force the network to simultaneously represent all the previously discovered features. Initializing the networks with Bonsai representations consistently helps six OoD methods achieve top performance on ColoredMNIST benchmark. The same technique substantially outperforms comparable results on the Wilds Camelyon17 task, eliminates the high result variance that plagues other methods, and makes hyperparameter tuning and model selection more reliable.

We introduce a convolutional neural network that operates directly on graphs. These networks allow end-to-end learning of prediction pipelines whose inputs are graphs of arbitrary size and shape. The architecture we present generalizes standard molecular feature extraction methods based on circular fingerprints. We show that these data-driven features are more interpretable, and have better predictive performance on a variety of tasks.

Prediction tasks over nodes and edges in networks require careful effort in engineering features used by learning algorithms. Recent research in the broader field of representation learning has led to significant progress in automating prediction by learning the features themselves. However, present feature learning approaches are not expressive enough to capture the diversity of connectivity patterns observed in networks. Here we propose node2vec, an algorithmic framework for learning continuous feature representations for nodes in networks. In node2vec, we learn a mapping of nodes to a low-dimensional space of features that maximizes the likelihood of preserving network neighborhoods of nodes. We define a flexible notion of a node's network neighborhood and design a biased random walk procedure, which efficiently explores diverse neighborhoods. Our algorithm generalizes prior work which is based on rigid notions of network neighborhoods, and we argue that the added flexibility in exploring neighborhoods is the key to learning richer representations. We demonstrate the efficacy of node2vec over existing state-of-the-art techniques on multi-label classification and link prediction in several real-world networks from diverse domains. Taken together, our work represents a new way for efficiently learning state-of-the-art task-independent representations in complex networks.

This paper presents X3D, a family of efficient video networks that progressively expand a tiny 2D image classification architecture along multiple network axes, in space, time, width and depth. Inspired by feature selection methods in machine learning, a simple stepwise network expansion approach is employed that expands a single axis in each step, such that good accuracy to complexity trade-off is achieved. To expand X3D to a specific target complexity, we perform progressive forward expansion followed by backward contraction. X3D achieves state-of-the-art performance while requiring 4.8x and 5.5x fewer multiply-adds and parameters for similar accuracy as previous work. Our most surprising finding is that networks with high spatiotemporal resolution can perform well, while being extremely light in terms of network width and parameters. We report competitive accuracy at unprecedented efficiency on video classification and detection benchmarks. Code will be available at: https://github.com/facebookresearch/SlowFast

In this paper, we present LiGNN, a deployed large-scale Graph Neural Networks (GNNs) Framework. We share our insight on developing and deployment of GNNs at large scale at LinkedIn. We present a set of algorithmic improvements to the quality of GNN representation learning including temporal graph architectures with long term losses, effective cold start solutions via graph densification, ID embeddings and multi-hop neighbor sampling. We explain how we built and sped up by 7x our large-scale training on LinkedIn graphs with adaptive sampling of neighbors, grouping and slicing of training data batches, specialized shared-memory queue and local gradient optimization. We summarize our deployment lessons and learnings gathered from A/B test experiments. The techniques presented in this work have contributed to an approximate relative improvements of 1% of Job application hearing back rate, 2% Ads CTR lift, 0.5% of Feed engaged daily active users, 0.2% session lift and 0.1% weekly active user lift from people recommendation. We believe that this work can provide practical solutions and insights for engineers who are interested in applying Graph neural networks at large scale.

Graph neural networks (GNNs), in general, are built on the assumption of a static set of features characterizing each node in a graph. This assumption is often violated in practice. Existing methods partly address this issue through feature imputation. However, these techniques (i) assume uniformity of feature set across nodes, (ii) are transductive by nature, and (iii) fail to work when features are added or removed over time. In this work, we address these limitations through a novel GNN framework called GRAFENNE. GRAFENNE performs a novel allotropic transformation on the original graph, wherein the nodes and features are decoupled through a bipartite encoding. Through a carefully chosen message passing framework on the allotropic transformation, we make the model parameter size independent of the number of features and thereby inductive to both unseen nodes and features. We prove that GRAFENNE is at least as expressive as any of the existing message-passing GNNs in terms of Weisfeiler-Leman tests, and therefore, the additional inductivity to unseen features does not come at the cost of expressivity. In addition, as demonstrated over four real-world graphs, GRAFENNE empowers the underlying GNN with high empirical efficacy and the ability to learn in continual fashion over streaming feature sets.

Graph Convolution Network (GCN) has become new state-of-the-art for collaborative filtering. Nevertheless, the reasons of its effectiveness for recommendation are not well understood. Existing work that adapts GCN to recommendation lacks thorough ablation analyses on GCN, which is originally designed for graph classification tasks and equipped with many neural network operations. However, we empirically find that the two most common designs in GCNs -- feature transformation and nonlinear activation -- contribute little to the performance of collaborative filtering. Even worse, including them adds to the difficulty of training and degrades recommendation performance. In this work, we aim to simplify the design of GCN to make it more concise and appropriate for recommendation. We propose a new model named LightGCN, including only the most essential component in GCN -- neighborhood aggregation -- for collaborative filtering. Specifically, LightGCN learns user and item embeddings by linearly propagating them on the user-item interaction graph, and uses the weighted sum of the embeddings learned at all layers as the final embedding. Such simple, linear, and neat model is much easier to implement and train, exhibiting substantial improvements (about 16.0\% relative improvement on average) over Neural Graph Collaborative Filtering (NGCF) -- a state-of-the-art GCN-based recommender model -- under exactly the same experimental setting. Further analyses are provided towards the rationality of the simple LightGCN from both analytical and empirical perspectives.

Temporal networks have been widely used to model real-world complex systems such as financial systems and e-commerce systems. In a temporal network, the joint neighborhood of a set of nodes often provides crucial structural information useful for predicting whether they may interact at a certain time. However, recent representation learning methods for temporal networks often fail to extract such information or depend on online construction of structural features, which is time-consuming. To address the issue, this work proposes Neighborhood-Aware Temporal network model (NAT). For each node in the network, NAT abandons the commonly-used one-single-vector-based representation while adopting a novel dictionary-type neighborhood representation. Such a dictionary representation records a downsampled set of the neighboring nodes as keys, and allows fast construction of structural features for a joint neighborhood of multiple nodes. We also design a dedicated data structure termed N-cache to support parallel access and update of those dictionary representations on GPUs. NAT gets evaluated over seven real-world large-scale temporal networks. NAT not only outperforms all cutting-edge baselines by averaged 1.2% and 4.2% in transductive and inductive link prediction accuracy, respectively, but also keeps scalable by achieving a speed-up of 4.1-76.7x against the baselines that adopt joint structural features and achieves a speed-up of 1.6-4.0x against the baselines that cannot adopt those features. The link to the code: https: //github.com/Graph-COM/Neighborhood-Aware-Temporal-Network.

Over the last decade, Convolutional Neural Networks (CNN) saw a tremendous surge in performance. However, understanding what a network has learned still proves to be a challenging task. To remedy this unsatisfactory situation, a number of groups have recently proposed different methods to visualize the learned models. In this work we suggest a general taxonomy to classify and compare these methods, subdividing the literature into three main categories and providing researchers with a terminology to base their works on. Furthermore, we introduce the FeatureVis library for MatConvNet: an extendable, easy to use open source library for visualizing CNNs. It contains implementations from each of the three main classes of visualization methods and serves as a useful tool for an enhanced understanding of the features learned by intermediate layers, as well as for the analysis of why a network might fail for certain examples.

Face clustering has attracted rising research interest recently to take advantage of massive amounts of face images on the web. State-of-the-art performance has been achieved by Graph Convolutional Networks (GCN) due to their powerful representation capacity. However, existing GCN-based methods build face graphs mainly according to kNN relations in the feature space, which may lead to a lot of noise edges connecting two faces of different classes. The face features will be polluted when messages pass along these noise edges, thus degrading the performance of GCNs. In this paper, a novel algorithm named Ada-NETS is proposed to cluster faces by constructing clean graphs for GCNs. In Ada-NETS, each face is transformed to a new structure space, obtaining robust features by considering face features of the neighbour images. Then, an adaptive neighbour discovery strategy is proposed to determine a proper number of edges connecting to each face image. It significantly reduces the noise edges while maintaining the good ones to build a graph with clean yet rich edges for GCNs to cluster faces. Experiments on multiple public clustering datasets show that Ada-NETS significantly outperforms current state-of-the-art methods, proving its superiority and generalization. Code is available at https://github.com/damo-cv/Ada-NETS.

The behavior of neural networks still remains opaque, and a recently widely noted phenomenon is that networks often achieve similar performance when initialized with different random parameters. This phenomenon has attracted significant attention in measuring the similarity between features learned by distinct networks. However, feature similarity could be vague in describing the same feature since equivalent features hardly exist. In this paper, we expand the concept of equivalent feature and provide the definition of what we call functionally equivalent features. These features produce equivalent output under certain transformations. Using this definition, we aim to derive a more intrinsic metric for the so-called feature complexity regarding the redundancy of features learned by a neural network at each layer. We offer a formal interpretation of our approach through the lens of category theory, a well-developed area in mathematics. To quantify the feature complexity, we further propose an efficient algorithm named Iterative Feature Merging. Our experimental results validate our ideas and theories from various perspectives. We empirically demonstrate that the functionally equivalence widely exists among different features learned by the same neural network and we could reduce the number of parameters of the network without affecting the performance.The IFM shows great potential as a data-agnostic model prune method. We have also drawn several interesting empirical findings regarding the defined feature complexity.

As DenseNet conserves intermediate features with diverse receptive fields by aggregating them with dense connection, it shows good performance on the object detection task. Although feature reuse enables DenseNet to produce strong features with a small number of model parameters and FLOPs, the detector with DenseNet backbone shows rather slow speed and low energy efficiency. We find the linearly increasing input channel by dense connection leads to heavy memory access cost, which causes computation overhead and more energy consumption. To solve the inefficiency of DenseNet, we propose an energy and computation efficient architecture called VoVNet comprised of One-Shot Aggregation (OSA). The OSA not only adopts the strength of DenseNet that represents diversified features with multi receptive fields but also overcomes the inefficiency of dense connection by aggregating all features only once in the last feature maps. To validate the effectiveness of VoVNet as a backbone network, we design both lightweight and large-scale VoVNet and apply them to one-stage and two-stage object detectors. Our VoVNet based detectors outperform DenseNet based ones with 2x faster speed and the energy consumptions are reduced by 1.6x - 4.1x. In addition to DenseNet, VoVNet also outperforms widely used ResNet backbone with faster speed and better energy efficiency. In particular, the small object detection performance has been significantly improved over DenseNet and ResNet.

Today's deep learning methods focus on how to design the most appropriate objective functions so that the prediction results of the model can be closest to the ground truth. Meanwhile, an appropriate architecture that can facilitate acquisition of enough information for prediction has to be designed. Existing methods ignore a fact that when input data undergoes layer-by-layer feature extraction and spatial transformation, large amount of information will be lost. This paper will delve into the important issues of data loss when data is transmitted through deep networks, namely information bottleneck and reversible functions. We proposed the concept of programmable gradient information (PGI) to cope with the various changes required by deep networks to achieve multiple objectives. PGI can provide complete input information for the target task to calculate objective function, so that reliable gradient information can be obtained to update network weights. In addition, a new lightweight network architecture -- Generalized Efficient Layer Aggregation Network (GELAN), based on gradient path planning is designed. GELAN's architecture confirms that PGI has gained superior results on lightweight models. We verified the proposed GELAN and PGI on MS COCO dataset based object detection. The results show that GELAN only uses conventional convolution operators to achieve better parameter utilization than the state-of-the-art methods developed based on depth-wise convolution. PGI can be used for variety of models from lightweight to large. It can be used to obtain complete information, so that train-from-scratch models can achieve better results than state-of-the-art models pre-trained using large datasets, the comparison results are shown in Figure 1. The source codes are at: https://github.com/WongKinYiu/yolov9.

Despite the remarkable progress made by learning based stereo matching algorithms, one key challenge remains unsolved. Current state-of-the-art stereo models are mostly based on costly 3D convolutions, the cubic computational complexity and high memory consumption make it quite expensive to deploy in real-world applications. In this paper, we aim at completely replacing the commonly used 3D convolutions to achieve fast inference speed while maintaining comparable accuracy. To this end, we first propose a sparse points based intra-scale cost aggregation method to alleviate the well-known edge-fattening issue at disparity discontinuities. Further, we approximate traditional cross-scale cost aggregation algorithm with neural network layers to handle large textureless regions. Both modules are simple, lightweight, and complementary, leading to an effective and efficient architecture for cost aggregation. With these two modules, we can not only significantly speed up existing top-performing models (e.g., 41times than GC-Net, 4times than PSMNet and 38times than GA-Net), but also improve the performance of fast stereo models (e.g., StereoNet). We also achieve competitive results on Scene Flow and KITTI datasets while running at 62ms, demonstrating the versatility and high efficiency of the proposed method. Our full framework is available at https://github.com/haofeixu/aanet .

The heterogeneous network is a robust data abstraction that can model entities of different types interacting in various ways. Such heterogeneity brings rich semantic information but presents nontrivial challenges in aggregating the heterogeneous relationships between objects - especially those of higher-order indirect relations. Recent graph neural network approaches for representation learning on heterogeneous networks typically employ the attention mechanism, which is often only optimized for predictions based on direct links. Furthermore, even though most deep learning methods can aggregate higher-order information by building deeper models, such a scheme can diminish the degree of interpretability. To overcome these challenges, we explore an architecture - Layer-stacked ATTention Embedding (LATTE) - that automatically decomposes higher-order meta relations at each layer to extract the relevant heterogeneous neighborhood structures for each node. Additionally, by successively stacking layer representations, the learned node embedding offers a more interpretable aggregation scheme for nodes of different types at different neighborhood ranges. We conducted experiments on several benchmark heterogeneous network datasets. In both transductive and inductive node classification tasks, LATTE can achieve state-of-the-art performance compared to existing approaches, all while offering a lightweight model. With extensive experimental analyses and visualizations, the framework can demonstrate the ability to extract informative insights on heterogeneous networks.

We present a simple, highly modularized network architecture for image classification. Our network is constructed by repeating a building block that aggregates a set of transformations with the same topology. Our simple design results in a homogeneous, multi-branch architecture that has only a few hyper-parameters to set. This strategy exposes a new dimension, which we call "cardinality" (the size of the set of transformations), as an essential factor in addition to the dimensions of depth and width. On the ImageNet-1K dataset, we empirically show that even under the restricted condition of maintaining complexity, increasing cardinality is able to improve classification accuracy. Moreover, increasing cardinality is more effective than going deeper or wider when we increase the capacity. Our models, named ResNeXt, are the foundations of our entry to the ILSVRC 2016 classification task in which we secured 2nd place. We further investigate ResNeXt on an ImageNet-5K set and the COCO detection set, also showing better results than its ResNet counterpart. The code and models are publicly available online.

Feature pyramids are a basic component in recognition systems for detecting objects at different scales. But recent deep learning object detectors have avoided pyramid representations, in part because they are compute and memory intensive. In this paper, we exploit the inherent multi-scale, pyramidal hierarchy of deep convolutional networks to construct feature pyramids with marginal extra cost. A top-down architecture with lateral connections is developed for building high-level semantic feature maps at all scales. This architecture, called a Feature Pyramid Network (FPN), shows significant improvement as a generic feature extractor in several applications. Using FPN in a basic Faster R-CNN system, our method achieves state-of-the-art single-model results on the COCO detection benchmark without bells and whistles, surpassing all existing single-model entries including those from the COCO 2016 challenge winners. In addition, our method can run at 5 FPS on a GPU and thus is a practical and accurate solution to multi-scale object detection. Code will be made publicly available.

Representing features at multiple scales is of great importance for numerous vision tasks. Recent advances in backbone convolutional neural networks (CNNs) continually demonstrate stronger multi-scale representation ability, leading to consistent performance gains on a wide range of applications. However, most existing methods represent the multi-scale features in a layer-wise manner. In this paper, we propose a novel building block for CNNs, namely Res2Net, by constructing hierarchical residual-like connections within one single residual block. The Res2Net represents multi-scale features at a granular level and increases the range of receptive fields for each network layer. The proposed Res2Net block can be plugged into the state-of-the-art backbone CNN models, e.g., ResNet, ResNeXt, and DLA. We evaluate the Res2Net block on all these models and demonstrate consistent performance gains over baseline models on widely-used datasets, e.g., CIFAR-100 and ImageNet. Further ablation studies and experimental results on representative computer vision tasks, i.e., object detection, class activation mapping, and salient object detection, further verify the superiority of the Res2Net over the state-of-the-art baseline methods. The source code and trained models are available on https://mmcheng.net/res2net/.

Understanding the decision-making process of Graph Neural Networks (GNNs) is crucial to their interpretability. Most existing methods for explaining GNNs typically rely on training auxiliary models, resulting in the explanations remain black-boxed. This paper introduces Graph Output Attribution (GOAt), a novel method to attribute graph outputs to input graph features, creating GNN explanations that are faithful, discriminative, as well as stable across similar samples. By expanding the GNN as a sum of scalar products involving node features, edge features and activation patterns, we propose an efficient analytical method to compute contribution of each node or edge feature to each scalar product and aggregate the contributions from all scalar products in the expansion form to derive the importance of each node and edge. Through extensive experiments on synthetic and real-world data, we show that our method not only outperforms various state-ofthe-art GNN explainers in terms of the commonly used fidelity metric, but also exhibits stronger discriminability, and stability by a remarkable margin.

Graphs are essential data structures for modeling complex interactions in domains such as social networks, molecular structures, and biological systems. Graph-level tasks, which predict properties or classes for the entire graph, are critical for applications, such as molecular property prediction and subgraph counting. Graph Neural Networks (GNNs) have shown promise in these tasks, but their evaluations are often limited to narrow datasets, tasks, and inconsistent experimental setups, restricting their generalizability. To address these limitations, we propose a unified evaluation framework for graph-level GNNs. This framework provides a standardized setting to evaluate GNNs across diverse datasets, various graph tasks (e.g., graph classification and regression), and challenging scenarios, including noisy, imbalanced, and few-shot graphs. Additionally, we propose a novel GNN model with enhanced expressivity and generalization capabilities. Specifically, we enhance the expressivity of GNNs through a k-path rooted subgraph approach, enabling the model to effectively count subgraphs (e.g., paths and cycles). Moreover, we introduce a unified graph contrastive learning algorithm for graphs across diverse domains, which adaptively removes unimportant edges to augment graphs, thereby significantly improving generalization performance. Extensive experiments demonstrate that our model achieves superior performance against fourteen effective baselines across twenty-seven graph datasets, establishing it as a robust and generalizable model for graph-level tasks.

Relational databases are the de facto standard for storing and querying structured data, and extracting insights from structured data requires advanced analytics. Deep neural networks (DNNs) have achieved super-human prediction performance in particular data types, e.g., images. However, existing DNNs may not produce meaningful results when applied to structured data. The reason is that there are correlations and dependencies across combinations of attribute values in a table, and these do not follow simple additive patterns that can be easily mimicked by a DNN. The number of possible such cross features is combinatorial, making them computationally prohibitive to model. Furthermore, the deployment of learning models in real-world applications has also highlighted the need for interpretability, especially for high-stakes applications, which remains another issue of concern to DNNs. In this paper, we present ARM-Net, an adaptive relation modeling network tailored for structured data, and a lightweight framework ARMOR based on ARM-Net for relational data analytics. The key idea is to model feature interactions with cross features selectively and dynamically, by first transforming the input features into exponential space, and then determining the interaction order and interaction weights adaptively for each cross feature. We propose a novel sparse attention mechanism to dynamically generate the interaction weights given the input tuple, so that we can explicitly model cross features of arbitrary orders with noisy features filtered selectively. Then during model inference, ARM-Net can specify the cross features being used for each prediction for higher accuracy and better interpretability. Our extensive experiments on real-world datasets demonstrate that ARM-Net consistently outperforms existing models and provides more interpretable predictions for data-driven decision making.

Convolutional Neural Networks (CNNs) have revolutionized image classification by extracting spatial features and enabling state-of-the-art accuracy in vision-based tasks. The squeeze and excitation network proposed module gathers channelwise representations of the input. Multilayer perceptrons (MLP) learn global representation from the data and in most image classification models used to learn extracted features of the image. In this paper, we introduce a novel aggregated multilayer perceptron, a multi-branch dense layer, within the Squeeze excitation residual module designed to surpass the performance of existing architectures. Our approach leverages a combination of squeeze excitation network module with dense layers. This fusion enhances the network's ability to capture channel-wise patterns and have global knowledge, leading to a better feature representation. This proposed model has a negligible increase in parameters when compared to SENet. We conduct extensive experiments on benchmark datasets to validate the model and compare them with established architectures. Experimental results demonstrate a remarkable increase in the classification accuracy of the proposed model.

Learning features from data is one of the defining characteristics of deep learning, but our theoretical understanding of the role features play in deep learning is still rudimentary. To address this gap, we introduce a new tool, the interaction tensor, for empirically analyzing the interaction between data and model through features. With the interaction tensor, we make several key observations about how features are distributed in data and how models with different random seeds learn different features. Based on these observations, we propose a conceptual framework for feature learning. Under this framework, the expected accuracy for a single hypothesis and agreement for a pair of hypotheses can both be derived in closed-form. We demonstrate that the proposed framework can explain empirically observed phenomena, including the recently discovered Generalization Disagreement Equality (GDE) that allows for estimating the generalization error with only unlabeled data. Further, our theory also provides explicit construction of natural data distributions that break the GDE. Thus, we believe this work provides valuable new insight into our understanding of feature learning.

Averaging neural network parameters is an intuitive method for fusing the knowledge of two independent models. It is most prominently used in federated learning. If models are averaged at the end of training, this can only lead to a good performing model if the loss surface of interest is very particular, i.e., the loss in the midpoint between the two models needs to be sufficiently low. This is impossible to guarantee for the non-convex losses of state-of-the-art networks. For averaging models trained on vastly different datasets, it was proposed to average only the parameters of particular layers or combinations of layers, resulting in better performing models. To get a better understanding of the effect of layer-wise averaging, we analyse the performance of the models that result from averaging single layers, or groups of layers. Based on our empirical and theoretical investigation, we introduce a novel notion of the layer-wise linear connectivity, and show that deep networks do not have layer-wise barriers between them.

A Sheaf Neural Network (SNN) is a type of Graph Neural Network (GNN) that operates on a sheaf, an object that equips a graph with vector spaces over its nodes and edges and linear maps between these spaces. SNNs have been shown to have useful theoretical properties that help tackle issues arising from heterophily and over-smoothing. One complication intrinsic to these models is finding a good sheaf for the task to be solved. Previous works proposed two diametrically opposed approaches: manually constructing the sheaf based on domain knowledge and learning the sheaf end-to-end using gradient-based methods. However, domain knowledge is often insufficient, while learning a sheaf could lead to overfitting and significant computational overhead. In this work, we propose a novel way of computing sheaves drawing inspiration from Riemannian geometry: we leverage the manifold assumption to compute manifold-and-graph-aware orthogonal maps, which optimally align the tangent spaces of neighbouring data points. We show that this approach achieves promising results with less computational overhead when compared to previous SNN models. Overall, this work provides an interesting connection between algebraic topology and differential geometry, and we hope that it will spark future research in this direction.

We present a method for detecting objects in images using a single deep neural network. Our approach, named SSD, discretizes the output space of bounding boxes into a set of default boxes over different aspect ratios and scales per feature map location. At prediction time, the network generates scores for the presence of each object category in each default box and produces adjustments to the box to better match the object shape. Additionally, the network combines predictions from multiple feature maps with different resolutions to naturally handle objects of various sizes. Our SSD model is simple relative to methods that require object proposals because it completely eliminates proposal generation and subsequent pixel or feature resampling stage and encapsulates all computation in a single network. This makes SSD easy to train and straightforward to integrate into systems that require a detection component. Experimental results on the PASCAL VOC, MS COCO, and ILSVRC datasets confirm that SSD has comparable accuracy to methods that utilize an additional object proposal step and is much faster, while providing a unified framework for both training and inference. Compared to other single stage methods, SSD has much better accuracy, even with a smaller input image size. For 300times 300 input, SSD achieves 72.1% mAP on VOC2007 test at 58 FPS on a Nvidia Titan X and for 500times 500 input, SSD achieves 75.1% mAP, outperforming a comparable state of the art Faster R-CNN model. Code is available at https://github.com/weiliu89/caffe/tree/ssd .

We propose a novel deep network structure called "Network In Network" (NIN) to enhance model discriminability for local patches within the receptive field. The conventional convolutional layer uses linear filters followed by a nonlinear activation function to scan the input. Instead, we build micro neural networks with more complex structures to abstract the data within the receptive field. We instantiate the micro neural network with a multilayer perceptron, which is a potent function approximator. The feature maps are obtained by sliding the micro networks over the input in a similar manner as CNN; they are then fed into the next layer. Deep NIN can be implemented by stacking mutiple of the above described structure. With enhanced local modeling via the micro network, we are able to utilize global average pooling over feature maps in the classification layer, which is easier to interpret and less prone to overfitting than traditional fully connected layers. We demonstrated the state-of-the-art classification performances with NIN on CIFAR-10 and CIFAR-100, and reasonable performances on SVHN and MNIST datasets.

Recent advances in Neural Architecture Search (NAS) which extract specialized hardware-aware configurations (a.k.a. "sub-networks") from a hardware-agnostic "super-network" have become increasingly popular. While considerable effort has been employed towards improving the first stage, namely, the training of the super-network, the search for derivative high-performing sub-networks is still largely under-explored. For example, some recent network morphism techniques allow a super-network to be trained once and then have hardware-specific networks extracted from it as needed. These methods decouple the super-network training from the sub-network search and thus decrease the computational burden of specializing to different hardware platforms. We propose a comprehensive system that automatically and efficiently finds sub-networks from a pre-trained super-network that are optimized to different performance metrics and hardware configurations. By combining novel search tactics and algorithms with intelligent use of predictors, we significantly decrease the time needed to find optimal sub-networks from a given super-network. Further, our approach does not require the super-network to be refined for the target task a priori, thus allowing it to interface with any super-network. We demonstrate through extensive experiments that our system works seamlessly with existing state-of-the-art super-network training methods in multiple domains. Moreover, we show how novel search tactics paired with evolutionary algorithms can accelerate the search process for ResNet50, MobileNetV3 and Transformer while maintaining objective space Pareto front diversity and demonstrate an 8x faster search result than the state-of-the-art Bayesian optimization WeakNAS approach.

In this paper we introduce Feature Gradients, a gradient-based search algorithm for feature selection. Our approach extends a recent result on the estimation of learnability in the sublinear data regime by showing that the calculation can be performed iteratively (i.e., in mini-batches) and in linear time and space with respect to both the number of features D and the sample size N . This, along with a discrete-to-continuous relaxation of the search domain, allows for an efficient, gradient-based search algorithm among feature subsets for very large datasets. Crucially, our algorithm is capable of finding higher-order correlations between features and targets for both the N > D and N < D regimes, as opposed to approaches that do not consider such interactions and/or only consider one regime. We provide experimental demonstration of the algorithm in small and large sample-and feature-size settings.

Graph neural networks (GNNs) are machine learning models specialized for graph data and widely used in many applications. To train GNNs on large graphs that exceed CPU memory, several systems store data on disk and conduct out-of-core processing. However, these systems suffer from either read amplification when reading node features that are usually smaller than a disk page or degraded model accuracy by treating the graph as disconnected partitions. To close this gap, we build a system called DiskGNN, which achieves high I/O efficiency and thus fast training without hurting model accuracy. The key technique used by DiskGNN is offline sampling, which helps decouple graph sampling from model computation. In particular, by conducting graph sampling beforehand, DiskGNN acquires the node features that will be accessed by model computation, and such information is utilized to pack the target node features contiguously on disk to avoid read amplification. Besides, also adopts designs including four-level feature store to fully utilize the memory hierarchy to cache node features and reduce disk access, batched packing to accelerate the feature packing process, and pipelined training to overlap disk access with other operations. We compare DiskGNN with Ginex and MariusGNN, which are state-of-the-art systems for out-of-core GNN training. The results show that DiskGNN can speed up the baselines by over 8x while matching their best model accuracy.

We propose a simple but strong baseline for time series classification from scratch with deep neural networks. Our proposed baseline models are pure end-to-end without any heavy preprocessing on the raw data or feature crafting. The proposed Fully Convolutional Network (FCN) achieves premium performance to other state-of-the-art approaches and our exploration of the very deep neural networks with the ResNet structure is also competitive. The global average pooling in our convolutional model enables the exploitation of the Class Activation Map (CAM) to find out the contributing region in the raw data for the specific labels. Our models provides a simple choice for the real world application and a good starting point for the future research. An overall analysis is provided to discuss the generalization capability of our models, learned features, network structures and the classification semantics.

Convolutional neural networks (CNNs) have achieved great successes in many computer vision problems. Unlike existing works that designed CNN architectures to improve performance on a single task of a single domain and not generalizable, we present IBN-Net, a novel convolutional architecture, which remarkably enhances a CNN's modeling ability on one domain (e.g. Cityscapes) as well as its generalization capacity on another domain (e.g. GTA5) without finetuning. IBN-Net carefully integrates Instance Normalization (IN) and Batch Normalization (BN) as building blocks, and can be wrapped into many advanced deep networks to improve their performances. This work has three key contributions. (1) By delving into IN and BN, we disclose that IN learns features that are invariant to appearance changes, such as colors, styles, and virtuality/reality, while BN is essential for preserving content related information. (2) IBN-Net can be applied to many advanced deep architectures, such as DenseNet, ResNet, ResNeXt, and SENet, and consistently improve their performance without increasing computational cost. (3) When applying the trained networks to new domains, e.g. from GTA5 to Cityscapes, IBN-Net achieves comparable improvements as domain adaptation methods, even without using data from the target domain. With IBN-Net, we won the 1st place on the WAD 2018 Challenge Drivable Area track, with an mIoU of 86.18%.

Neural networks have enabled state-of-the-art approaches to achieve incredible results on computer vision tasks such as object detection. However, such success greatly relies on costly computation resources, which hinders people with cheap devices from appreciating the advanced technology. In this paper, we propose Cross Stage Partial Network (CSPNet) to mitigate the problem that previous works require heavy inference computations from the network architecture perspective. We attribute the problem to the duplicate gradient information within network optimization. The proposed networks respect the variability of the gradients by integrating feature maps from the beginning and the end of a network stage, which, in our experiments, reduces computations by 20% with equivalent or even superior accuracy on the ImageNet dataset, and significantly outperforms state-of-the-art approaches in terms of AP50 on the MS COCO object detection dataset. The CSPNet is easy to implement and general enough to cope with architectures based on ResNet, ResNeXt, and DenseNet. Source code is at https://github.com/WongKinYiu/CrossStagePartialNetworks.

Deep sparse networks are widely investigated as a neural network architecture for prediction tasks with high-dimensional sparse features, with which feature interaction selection is a critical component. While previous methods primarily focus on how to search feature interaction in a coarse-grained space, less attention has been given to a finer granularity. In this work, we introduce a hybrid-grained feature interaction selection approach that targets both feature field and feature value for deep sparse networks. To explore such expansive space, we propose a decomposed space which is calculated on the fly. We then develop a selection algorithm called OptFeature, which efficiently selects the feature interaction from both the feature field and the feature value simultaneously. Results from experiments on three large real-world benchmark datasets demonstrate that OptFeature performs well in terms of accuracy and efficiency. Additional studies support the feasibility of our method.

Deep learning has revolutionized many machine learning tasks in recent years, ranging from image classification and video processing to speech recognition and natural language understanding. The data in these tasks are typically represented in the Euclidean space. However, there is an increasing number of applications where data are generated from non-Euclidean domains and are represented as graphs with complex relationships and interdependency between objects. The complexity of graph data has imposed significant challenges on existing machine learning algorithms. Recently, many studies on extending deep learning approaches for graph data have emerged. In this survey, we provide a comprehensive overview of graph neural networks (GNNs) in data mining and machine learning fields. We propose a new taxonomy to divide the state-of-the-art graph neural networks into four categories, namely recurrent graph neural networks, convolutional graph neural networks, graph autoencoders, and spatial-temporal graph neural networks. We further discuss the applications of graph neural networks across various domains and summarize the open source codes, benchmark data sets, and model evaluation of graph neural networks. Finally, we propose potential research directions in this rapidly growing field.

We introduce Graph-Induced Sum-Product Networks (GSPNs), a new probabilistic framework for graph representation learning that can tractably answer probabilistic queries. Inspired by the computational trees induced by vertices in the context of message-passing neural networks, we build hierarchies of sum-product networks (SPNs) where the parameters of a parent SPN are learnable transformations of the a-posterior mixing probabilities of its children's sum units. Due to weight sharing and the tree-shaped computation graphs of GSPNs, we obtain the efficiency and efficacy of deep graph networks with the additional advantages of a probabilistic model. We show the model's competitiveness on scarce supervision scenarios, under missing data, and for graph classification in comparison to popular neural models. We complement the experiments with qualitative analyses on hyper-parameters and the model's ability to answer probabilistic queries.

Many machine learning tasks involve learning functions that are known to be invariant or equivariant to certain symmetries of the input data. However, it is often challenging to design neural network architectures that respect these symmetries while being expressive and computationally efficient. For example, Euclidean motion invariant/equivariant graph or point cloud neural networks. We introduce Frame Averaging (FA), a general purpose and systematic framework for adapting known (backbone) architectures to become invariant or equivariant to new symmetry types. Our framework builds on the well known group averaging operator that guarantees invariance or equivariance but is intractable. In contrast, we observe that for many important classes of symmetries, this operator can be replaced with an averaging operator over a small subset of the group elements, called a frame. We show that averaging over a frame guarantees exact invariance or equivariance while often being much simpler to compute than averaging over the entire group. Furthermore, we prove that FA-based models have maximal expressive power in a broad setting and in general preserve the expressive power of their backbone architectures. Using frame averaging, we propose a new class of universal Graph Neural Networks (GNNs), universal Euclidean motion invariant point cloud networks, and Euclidean motion invariant Message Passing (MP) GNNs. We demonstrate the practical effectiveness of FA on several applications including point cloud normal estimation, beyond 2-WL graph separation, and n-body dynamics prediction, achieving state-of-the-art results in all of these benchmarks.

Since the recent success of Vision Transformers (ViTs), explorations toward transformer-style architectures have triggered the resurgence of modern ConvNets. In this work, we explore the representation ability of DNNs through the lens of interaction complexities. We empirically show that interaction complexity is an overlooked but essential indicator for visual recognition. Accordingly, a new family of efficient ConvNets, named MogaNet, is presented to pursue informative context mining in pure ConvNet-based models, with preferable complexity-performance trade-offs. In MogaNet, interactions across multiple complexities are facilitated and contextualized by leveraging two specially designed aggregation blocks in both spatial and channel interaction spaces. Extensive studies are conducted on ImageNet classification, COCO object detection, and ADE20K semantic segmentation tasks. The results demonstrate that our MogaNet establishes new state-of-the-art over other popular methods in mainstream scenarios and all model scales. Typically, the lightweight MogaNet-T achieves 80.0\% top-1 accuracy with only 1.44G FLOPs using a refined training setup on ImageNet-1K, surpassing ParC-Net-S by 1.4\% accuracy but saving 59\% (2.04G) FLOPs.

Effective fusion of multi-scale features is crucial for improving speaker verification performance. While most existing methods aggregate multi-scale features in a layer-wise manner via simple operations, such as summation or concatenation. This paper proposes a novel architecture called Enhanced Res2Net (ERes2Net), which incorporates both local and global feature fusion techniques to improve the performance. The local feature fusion (LFF) fuses the features within one single residual block to extract the local signal. The global feature fusion (GFF) takes acoustic features of different scales as input to aggregate global signal. To facilitate effective feature fusion in both LFF and GFF, an attentional feature fusion module is employed in the ERes2Net architecture, replacing summation or concatenation operations. A range of experiments conducted on the VoxCeleb datasets demonstrate the superiority of the ERes2Net in speaker verification. Code has been made publicly available at https://github.com/alibaba-damo-academy/3D-Speaker.

Few-shot models aim at making predictions using a minimal number of labeled examples from a given task. The main challenge in this area is the one-shot setting where only one element represents each class. We propose HyperShot - the fusion of kernels and hypernetwork paradigm. Compared to reference approaches that apply a gradient-based adjustment of the parameters, our model aims to switch the classification module parameters depending on the task's embedding. In practice, we utilize a hypernetwork, which takes the aggregated information from support data and returns the classifier's parameters handcrafted for the considered problem. Moreover, we introduce the kernel-based representation of the support examples delivered to hypernetwork to create the parameters of the classification module. Consequently, we rely on relations between embeddings of the support examples instead of direct feature values provided by the backbone models. Thanks to this approach, our model can adapt to highly different tasks.

Deep learning has proven itself as a successful set of models for learning useful semantic representations of data. These, however, are mostly implicitly learned as part of a classification task. In this paper we propose the triplet network model, which aims to learn useful representations by distance comparisons. A similar model was defined by Wang et al. (2014), tailor made for learning a ranking for image information retrieval. Here we demonstrate using various datasets that our model learns a better representation than that of its immediate competitor, the Siamese network. We also discuss future possible usage as a framework for unsupervised learning.

Recent advancements in large-scale foundational models have sparked widespread interest in training highly proficient large vision models. A common consensus revolves around the necessity of aggregating extensive, high-quality annotated data. However, given the inherent challenges in annotating dense tasks in computer vision, such as object detection and segmentation, a practical strategy is to combine and leverage all available data for training purposes. In this work, we propose Plain-Det, which offers flexibility to accommodate new datasets, robustness in performance across diverse datasets, training efficiency, and compatibility with various detection architectures. We utilize Def-DETR, with the assistance of Plain-Det, to achieve a mAP of 51.9 on COCO, matching the current state-of-the-art detectors. We conduct extensive experiments on 13 downstream datasets and Plain-Det demonstrates strong generalization capability. Code is release at https://github.com/ChengShiest/Plain-Det

Neural architecture search (NAS) automatically finds the best task-specific neural network topology, outperforming many manual architecture designs. However, it can be prohibitively expensive as the search requires training thousands of different networks, while each can last for hours. In this work, we propose the Graph HyperNetwork (GHN) to amortize the search cost: given an architecture, it directly generates the weights by running inference on a graph neural network. GHNs model the topology of an architecture and therefore can predict network performance more accurately than regular hypernetworks and premature early stopping. To perform NAS, we randomly sample architectures and use the validation accuracy of networks with GHN generated weights as the surrogate search signal. GHNs are fast -- they can search nearly 10 times faster than other random search methods on CIFAR-10 and ImageNet. GHNs can be further extended to the anytime prediction setting, where they have found networks with better speed-accuracy tradeoff than the state-of-the-art manual designs.

Graph Neural Networks (GNN) are inherently limited in their expressive power. Recent seminal works (Xu et al., 2019; Morris et al., 2019b) introduced the Weisfeiler-Lehman (WL) hierarchy as a measure of expressive power. Although this hierarchy has propelled significant advances in GNN analysis and architecture developments, it suffers from several significant limitations. These include a complex definition that lacks direct guidance for model improvement and a WL hierarchy that is too coarse to study current GNNs. This paper introduces an alternative expressive power hierarchy based on the ability of GNNs to calculate equivariant polynomials of a certain degree. As a first step, we provide a full characterization of all equivariant graph polynomials by introducing a concrete basis, significantly generalizing previous results. Each basis element corresponds to a specific multi-graph, and its computation over some graph data input corresponds to a tensor contraction problem. Second, we propose algorithmic tools for evaluating the expressiveness of GNNs using tensor contraction sequences, and calculate the expressive power of popular GNNs. Finally, we enhance the expressivity of common GNN architectures by adding polynomial features or additional operations / aggregations inspired by our theory. These enhanced GNNs demonstrate state-of-the-art results in experiments across multiple graph learning benchmarks.

An effective person re-identification (re-ID) model should learn feature representations that are both discriminative, for distinguishing similar-looking people, and generalisable, for deployment across datasets without any adaptation. In this paper, we develop novel CNN architectures to address both challenges. First, we present a re-ID CNN termed omni-scale network (OSNet) to learn features that not only capture different spatial scales but also encapsulate a synergistic combination of multiple scales, namely omni-scale features. The basic building block consists of multiple convolutional streams, each detecting features at a certain scale. For omni-scale feature learning, a unified aggregation gate is introduced to dynamically fuse multi-scale features with channel-wise weights. OSNet is lightweight as its building blocks comprise factorised convolutions. Second, to improve generalisable feature learning, we introduce instance normalisation (IN) layers into OSNet to cope with cross-dataset discrepancies. Further, to determine the optimal placements of these IN layers in the architecture, we formulate an efficient differentiable architecture search algorithm. Extensive experiments show that, in the conventional same-dataset setting, OSNet achieves state-of-the-art performance, despite being much smaller than existing re-ID models. In the more challenging yet practical cross-dataset setting, OSNet beats most recent unsupervised domain adaptation methods without using any target data. Our code and models are released at https://github.com/KaiyangZhou/deep-person-reid.

Attention-based graph neural networks (GNNs), such as graph attention networks (GATs), have become popular neural architectures for processing graph-structured data and learning node embeddings. Despite their empirical success, these models rely on labeled data and the theoretical properties of these models have yet to be fully understood. In this work, we propose a novel attention-based node embedding framework for graphs. Our framework builds upon a hierarchical kernel for multisets of subgraphs around nodes (e.g. neighborhoods) and each kernel leverages the geometry of a smooth statistical manifold to compare pairs of multisets, by "projecting" the multisets onto the manifold. By explicitly computing node embeddings with a manifold of Gaussian mixtures, our method leads to a new attention mechanism for neighborhood aggregation. We provide theoretical insights into generalizability and expressivity of our embeddings, contributing to a deeper understanding of attention-based GNNs. We propose both efficient unsupervised and supervised methods for learning the embeddings. Through experiments on several node classification benchmarks, we demonstrate that our proposed method outperforms existing attention-based graph models like GATs. Our code is available at https://github.com/BorgwardtLab/fisher_information_embedding.

Much of the world's most valued data is stored in relational databases and data warehouses, where the data is organized into many tables connected by primary-foreign key relations. However, building machine learning models using this data is both challenging and time consuming. The core problem is that no machine learning method is capable of learning on multiple tables interconnected by primary-foreign key relations. Current methods can only learn from a single table, so the data must first be manually joined and aggregated into a single training table, the process known as feature engineering. Feature engineering is slow, error prone and leads to suboptimal models. Here we introduce an end-to-end deep representation learning approach to directly learn on data laid out across multiple tables. We name our approach Relational Deep Learning (RDL). The core idea is to view relational databases as a temporal, heterogeneous graph, with a node for each row in each table, and edges specified by primary-foreign key links. Message Passing Graph Neural Networks can then automatically learn across the graph to extract representations that leverage all input data, without any manual feature engineering. Relational Deep Learning leads to more accurate models that can be built much faster. To facilitate research in this area, we develop RelBench, a set of benchmark datasets and an implementation of Relational Deep Learning. The data covers a wide spectrum, from discussions on Stack Exchange to book reviews on the Amazon Product Catalog. Overall, we define a new research area that generalizes graph machine learning and broadens its applicability to a wide set of AI use cases.

Combining different models is a widely used paradigm in machine learning applications. While the most common approach is to form an ensemble of models and average their individual predictions, this approach is often rendered infeasible by given resource constraints in terms of memory and computation, which grow linearly with the number of models. We present a layer-wise model fusion algorithm for neural networks that utilizes optimal transport to (soft-) align neurons across the models before averaging their associated parameters. We show that this can successfully yield "one-shot" knowledge transfer (i.e, without requiring any retraining) between neural networks trained on heterogeneous non-i.i.d. data. In both i.i.d. and non-i.i.d. settings , we illustrate that our approach significantly outperforms vanilla averaging, as well as how it can serve as an efficient replacement for the ensemble with moderate fine-tuning, for standard convolutional networks (like VGG11), residual networks (like ResNet18), and multi-layer perceptrons on CIFAR10, CIFAR100, and MNIST. Finally, our approach also provides a principled way to combine the parameters of neural networks with different widths, and we explore its application for model compression. The code is available at the following link, https://github.com/sidak/otfusion.

In this study, we propose Feature-aligned N-BEATS as a domain generalization model for univariate time series forecasting problems. The proposed model is an extension of the doubly residual stacking architecture of N-BEATS (Oreshkin et al. [34]) into a representation learning framework. The model is a new structure that involves marginal feature probability measures (i.e., pushforward measures of multiple source domains) induced by the intricate composition of residual operators of N-BEATS in each stack and aligns them stack-wise via an entropic regularized Wasserstein distance referred to as the Sinkhorn divergence (Genevay et al. [14]). The loss function consists of a typical forecasting loss for multiple source domains and an alignment loss calculated with the Sinkhorn divergence, which allows the model to learn invariant features stack-wise across multiple source data sequences while retaining N-BEATS's interpretable design. We conduct a comprehensive experimental evaluation of the proposed approach and the results demonstrate the model's forecasting and generalization capabilities in comparison with methods based on the original N-BEATS.

Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks - neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.

The phenomenon of adversarial examples illustrates one of the most basic vulnerabilities of deep neural networks. Among the variety of techniques introduced to surmount this inherent weakness, adversarial training has emerged as the most effective strategy for learning robust models. Typically, this is achieved by balancing robust and natural objectives. In this work, we aim to further optimize the trade-off between robust and standard accuracy by enforcing a domain-invariant feature representation. We present a new adversarial training method, Domain Invariant Adversarial Learning (DIAL), which learns a feature representation that is both robust and domain invariant. DIAL uses a variant of Domain Adversarial Neural Network (DANN) on the natural domain and its corresponding adversarial domain. In the case where the source domain consists of natural examples and the target domain is the adversarially perturbed examples, our method learns a feature representation constrained not to discriminate between the natural and adversarial examples, and can therefore achieve a more robust representation. DIAL is a generic and modular technique that can be easily incorporated into any adversarial training method. Our experiments indicate that incorporating DIAL in the adversarial training process improves both robustness and standard accuracy.

Neural networks have achieved tremendous success in a large variety of applications. However, their memory footprint and computational demand can render them impractical in application settings with limited hardware or energy resources. In this work, we propose a novel algorithm to find efficient low-rank subnetworks. Remarkably, these subnetworks are determined and adapted already during the training phase and the overall time and memory resources required by both training and evaluating them are significantly reduced. The main idea is to restrict the weight matrices to a low-rank manifold and to update the low-rank factors rather than the full matrix during training. To derive training updates that are restricted to the prescribed manifold, we employ techniques from dynamic model order reduction for matrix differential equations. This allows us to provide approximation, stability, and descent guarantees. Moreover, our method automatically and dynamically adapts the ranks during training to achieve the desired approximation accuracy. The efficiency of the proposed method is demonstrated through a variety of numerical experiments on fully-connected and convolutional networks.

Graph Neural Networks (GNNs) have become increasingly important due to their representational power and state-of-the-art predictive performance on many fundamental learning tasks. Despite this success, GNNs suffer from fairness issues that arise as a result of the underlying graph data and the fundamental aggregation mechanism that lies at the heart of the large class of GNN models. In this article, we examine and categorize fairness techniques for improving the fairness of GNNs. Previous work on fair GNN models and techniques are discussed in terms of whether they focus on improving fairness during a preprocessing step, during training, or in a post-processing phase. Furthermore, we discuss how such techniques can be used together whenever appropriate, and highlight the advantages and intuition as well. We also introduce an intuitive taxonomy for fairness evaluation metrics including graph-level fairness, neighborhood-level fairness, embedding-level fairness, and prediction-level fairness metrics. In addition, graph datasets that are useful for benchmarking the fairness of GNN models are summarized succinctly. Finally, we highlight key open problems and challenges that remain to be addressed.

Understanding the internal representations learned by neural networks is a cornerstone challenge in the science of machine learning. While there have been significant recent strides in some cases towards understanding how neural networks implement specific target functions, this paper explores a complementary question -- why do networks arrive at particular computational strategies? Our inquiry focuses on the algebraic learning tasks of modular addition, sparse parities, and finite group operations. Our primary theoretical findings analytically characterize the features learned by stylized neural networks for these algebraic tasks. Notably, our main technique demonstrates how the principle of margin maximization alone can be used to fully specify the features learned by the network. Specifically, we prove that the trained networks utilize Fourier features to perform modular addition and employ features corresponding to irreducible group-theoretic representations to perform compositions in general groups, aligning closely with the empirical observations of Nanda et al. and Chughtai et al. More generally, we hope our techniques can help to foster a deeper understanding of why neural networks adopt specific computational strategies.

Standard neural networks struggle to generalize under distribution shifts in computer vision. Fortunately, combining multiple networks can consistently improve out-of-distribution generalization. In particular, weight averaging (WA) strategies were shown to perform best on the competitive DomainBed benchmark; they directly average the weights of multiple networks despite their nonlinearities. In this paper, we propose Diverse Weight Averaging (DiWA), a new WA strategy whose main motivation is to increase the functional diversity across averaged models. To this end, DiWA averages weights obtained from several independent training runs: indeed, models obtained from different runs are more diverse than those collected along a single run thanks to differences in hyperparameters and training procedures. We motivate the need for diversity by a new bias-variance-covariance-locality decomposition of the expected error, exploiting similarities between WA and standard functional ensembling. Moreover, this decomposition highlights that WA succeeds when the variance term dominates, which we show occurs when the marginal distribution changes at test time. Experimentally, DiWA consistently improves the state of the art on DomainBed without inference overhead.

Graph Neural Networks (GNNs) with numerical node features and graph structure as inputs have demonstrated superior performance on various supervised learning tasks with graph data. However the numerical node features utilized by GNNs are commonly extracted from raw data which is of text or tabular (numeric/categorical) type in most real-world applications. The best models for such data types in most standard supervised learning settings with IID (non-graph) data are not simple neural network layers and thus are not easily incorporated into a GNN. Here we propose a robust stacking framework that fuses graph-aware propagation with arbitrary models intended for IID data, which are ensembled and stacked in multiple layers. Our layer-wise framework leverages bagging and stacking strategies to enjoy strong generalization, in a manner which effectively mitigates label leakage and overfitting. Across a variety of graph datasets with tabular/text node features, our method achieves comparable or superior performance relative to both tabular/text and graph neural network models, as well as existing state-of-the-art hybrid strategies that combine the two.

Modern deep neural networks have achieved impressive performance on tasks from image classification to natural language processing. Surprisingly, these complex systems with massive amounts of parameters exhibit the same structural properties in their last-layer features and classifiers across canonical datasets when training until convergence. In particular, it has been observed that the last-layer features collapse to their class-means, and those class-means are the vertices of a simplex Equiangular Tight Frame (ETF). This phenomenon is known as Neural Collapse (NC). Recent papers have theoretically shown that NC emerges in the global minimizers of training problems with the simplified "unconstrained feature model". In this context, we take a step further and prove the NC occurrences in deep linear networks for the popular mean squared error (MSE) and cross entropy (CE) losses, showing that global solutions exhibit NC properties across the linear layers. Furthermore, we extend our study to imbalanced data for MSE loss and present the first geometric analysis of NC under bias-free setting. Our results demonstrate the convergence of the last-layer features and classifiers to a geometry consisting of orthogonal vectors, whose lengths depend on the amount of data in their corresponding classes. Finally, we empirically validate our theoretical analyses on synthetic and practical network architectures with both balanced and imbalanced scenarios.

In this study, we tackle the challenging fine-grained edge detection task, which refers to predicting specific edges caused by reflectance, illumination, normal, and depth changes, respectively. Prior methods exploit multi-scale convolutional networks, which are limited in three aspects: (1) Convolutions are local operators while identifying the cause of edge formation requires looking at far away pixels. (2) Priors specific to edge cause are fixed in prediction heads. (3) Using separate networks for generic and fine-grained edge detection, and the constraint between them may be violated. To address these three issues, we propose a two-stage transformer-based network sequentially predicting generic edges and fine-grained edges, which has a global receptive field thanks to the attention mechanism. The prior knowledge of edge causes is formulated as four learnable cause tokens in a cause-aware decoder design. Furthermore, to encourage the consistency between generic edges and fine-grained edges, an edge aggregation and alignment loss is exploited. We evaluate our method on the public benchmark BSDS-RIND and several newly derived benchmarks, and achieve new state-of-the-art results. Our code, data, and models are publicly available at https://github.com/Daniellli/ECT.git.

Graph neural networks (GNNs) are the most widely adopted model in graph-structured data oriented learning and representation. Despite their extraordinary success in real-world applications, understanding their working mechanism by theory is still on primary stage. In this paper, we move towards this goal from the perspective of generalization. To be specific, we first establish high probability bounds of generalization gap and gradients in transductive learning with consideration of stochastic optimization. After that, we provide high probability bounds of generalization gap for popular GNNs. The theoretical results reveal the architecture specific factors affecting the generalization gap. Experimental results on benchmark datasets show the consistency between theoretical results and empirical evidence. Our results provide new insights in understanding the generalization of GNNs.

Low-dimensional embeddings of nodes in large graphs have proved extremely useful in a variety of prediction tasks, from content recommendation to identifying protein functions. However, most existing approaches require that all nodes in the graph are present during training of the embeddings; these previous approaches are inherently transductive and do not naturally generalize to unseen nodes. Here we present GraphSAGE, a general, inductive framework that leverages node feature information (e.g., text attributes) to efficiently generate node embeddings for previously unseen data. Instead of training individual embeddings for each node, we learn a function that generates embeddings by sampling and aggregating features from a node's local neighborhood. Our algorithm outperforms strong baselines on three inductive node-classification benchmarks: we classify the category of unseen nodes in evolving information graphs based on citation and Reddit post data, and we show that our algorithm generalizes to completely unseen graphs using a multi-graph dataset of protein-protein interactions.

Subgraphs of a larger global graph may be distributed across multiple devices, and only locally accessible due to privacy restrictions, although there may be links between subgraphs. Recently proposed subgraph Federated Learning (FL) methods deal with those missing links across local subgraphs while distributively training Graph Neural Networks (GNNs) on them. However, they have overlooked the inevitable heterogeneity between subgraphs comprising different communities of a global graph, consequently collapsing the incompatible knowledge from local GNN models. To this end, we introduce a new subgraph FL problem, personalized subgraph FL, which focuses on the joint improvement of the interrelated local GNNs rather than learning a single global model, and propose a novel framework, FEDerated Personalized sUBgraph learning (FED-PUB), to tackle it. Since the server cannot access the subgraph in each client, FED-PUB utilizes functional embeddings of the local GNNs using random graphs as inputs to compute similarities between them, and use the similarities to perform weighted averaging for server-side aggregation. Further, it learns a personalized sparse mask at each client to select and update only the subgraph-relevant subset of the aggregated parameters. We validate our FED-PUB for its subgraph FL performance on six datasets, considering both non-overlapping and overlapping subgraphs, on which it significantly outperforms relevant baselines. Our code is available at https://github.com/JinheonBaek/FED-PUB.

Over the last years, deep convolutional neural networks (ConvNets) have transformed the field of computer vision thanks to their unparalleled capacity to learn high level semantic image features. However, in order to successfully learn those features, they usually require massive amounts of manually labeled data, which is both expensive and impractical to scale. Therefore, unsupervised semantic feature learning, i.e., learning without requiring manual annotation effort, is of crucial importance in order to successfully harvest the vast amount of visual data that are available today. In our work we propose to learn image features by training ConvNets to recognize the 2d rotation that is applied to the image that it gets as input. We demonstrate both qualitatively and quantitatively that this apparently simple task actually provides a very powerful supervisory signal for semantic feature learning. We exhaustively evaluate our method in various unsupervised feature learning benchmarks and we exhibit in all of them state-of-the-art performance. Specifically, our results on those benchmarks demonstrate dramatic improvements w.r.t. prior state-of-the-art approaches in unsupervised representation learning and thus significantly close the gap with supervised feature learning. For instance, in PASCAL VOC 2007 detection task our unsupervised pre-trained AlexNet model achieves the state-of-the-art (among unsupervised methods) mAP of 54.4% that is only 2.4 points lower from the supervised case. We get similarly striking results when we transfer our unsupervised learned features on various other tasks, such as ImageNet classification, PASCAL classification, PASCAL segmentation, and CIFAR-10 classification. The code and models of our paper will be published on: https://github.com/gidariss/FeatureLearningRotNet .

We propose a simple and application-friendly network (called SimpleNet) for detecting and localizing anomalies. SimpleNet consists of four components: (1) a pre-trained Feature Extractor that generates local features, (2) a shallow Feature Adapter that transfers local features towards target domain, (3) a simple Anomaly Feature Generator that counterfeits anomaly features by adding Gaussian noise to normal features, and (4) a binary Anomaly Discriminator that distinguishes anomaly features from normal features. During inference, the Anomaly Feature Generator would be discarded. Our approach is based on three intuitions. First, transforming pre-trained features to target-oriented features helps avoid domain bias. Second, generating synthetic anomalies in feature space is more effective, as defects may not have much commonality in the image space. Third, a simple discriminator is much efficient and practical. In spite of simplicity, SimpleNet outperforms previous methods quantitatively and qualitatively. On the MVTec AD benchmark, SimpleNet achieves an anomaly detection AUROC of 99.6%, reducing the error by 55.5% compared to the next best performing model. Furthermore, SimpleNet is faster than existing methods, with a high frame rate of 77 FPS on a 3080ti GPU. Additionally, SimpleNet demonstrates significant improvements in performance on the One-Class Novelty Detection task. Code: https://github.com/DonaldRR/SimpleNet.

Benefiting from the message passing mechanism, Graph Neural Networks (GNNs) have been successful on flourish tasks over graph data. However, recent studies have shown that attackers can catastrophically degrade the performance of GNNs by maliciously modifying the graph structure. A straightforward solution to remedy this issue is to model the edge weights by learning a metric function between pairwise representations of two end nodes, which attempts to assign low weights to adversarial edges. The existing methods use either raw features or representations learned by supervised GNNs to model the edge weights. However, both strategies are faced with some immediate problems: raw features cannot represent various properties of nodes (e.g., structure information), and representations learned by supervised GNN may suffer from the poor performance of the classifier on the poisoned graph. We need representations that carry both feature information and as mush correct structure information as possible and are insensitive to structural perturbations. To this end, we propose an unsupervised pipeline, named STABLE, to optimize the graph structure. Finally, we input the well-refined graph into a downstream classifier. For this part, we design an advanced GCN that significantly enhances the robustness of vanilla GCN without increasing the time complexity. Extensive experiments on four real-world graph benchmarks demonstrate that STABLE outperforms the state-of-the-art methods and successfully defends against various attacks.

Representation learning has been a critical topic in machine learning. In Click-through Rate Prediction, most features are represented as embedding vectors and learned simultaneously with other parameters in the model. With the development of CTR models, feature representation learning has become a trending topic and has been extensively studied by both industrial and academic researchers in recent years. This survey aims at summarizing the feature representation learning in a broader picture and pave the way for future research. To achieve such a goal, we first present a taxonomy of current research methods on feature representation learning following two main issues: (i) which feature to represent and (ii) how to represent these features. Then we give a detailed description of each method regarding these two issues. Finally, the review concludes with a discussion on the future directions of this field.

Graph neural networks achieve high accuracy in link prediction by jointly leveraging graph topology and node attributes. Topology, however, is represented indirectly; state-of-the-art methods based on subgraph classification label nodes with distance to the target link, so that, although topological information is present, it is tempered by pooling. This makes it challenging to leverage features like loops and motifs associated with network formation mechanisms. We propose a link prediction algorithm based on a new pooling scheme called WalkPool. WalkPool combines the expressivity of topological heuristics with the feature-learning ability of neural networks. It summarizes a putative link by random walk probabilities of adjacent paths. Instead of extracting transition probabilities from the original graph, it computes the transition matrix of a "predictive" latent graph by applying attention to learned features; this may be interpreted as feature-sensitive topology fingerprinting. WalkPool can leverage unsupervised node features or be combined with GNNs and trained end-to-end. It outperforms state-of-the-art methods on all common link prediction benchmarks, both homophilic and heterophilic, with and without node attributes. Applying WalkPool to a set of unsupervised GNNs significantly improves prediction accuracy, suggesting that it may be used as a general-purpose graph pooling scheme.

Recent progress in Graph Neural Networks has resulted in wide adoption by many applications, including recommendation systems. The reason for Graph Neural Networks' superiority over other approaches is that many problems in recommendation systems can be naturally modeled as graphs, where nodes can be either users or items and edges represent preference relationships. In current Graph Neural Network approaches, nodes are represented with a static vector learned at training time. This static vector might only be suitable to capture some of the nuances of users or items they define. To overcome this limitation, we propose using a recently proposed model inspired by category theory: Sheaf Neural Networks. Sheaf Neural Networks, and its connected Laplacian, can address the previous problem by associating every node (and edge) with a vector space instead than a single vector. The vector space representation is richer and allows picking the proper representation at inference time. This approach can be generalized for different related tasks on graphs and achieves state-of-the-art performance in terms of F1-Score@N in collaborative filtering and Hits@20 in link prediction. For collaborative filtering, the approach is evaluated on the MovieLens 100K with a 5.1% improvement, on MovieLens 1M with a 5.4% improvement and on Book-Crossing with a 2.8% improvement, while for link prediction on the ogbl-ddi dataset with a 1.6% refinement with respect to the respective baselines.

We address the challenging problem of efficient inference across many devices and resource constraints, especially on edge devices. Conventional approaches either manually design or use neural architecture search (NAS) to find a specialized neural network and train it from scratch for each case, which is computationally prohibitive (causing CO_2 emission as much as 5 cars' lifetime) thus unscalable. In this work, we propose to train a once-for-all (OFA) network that supports diverse architectural settings by decoupling training and search, to reduce the cost. We can quickly get a specialized sub-network by selecting from the OFA network without additional training. To efficiently train OFA networks, we also propose a novel progressive shrinking algorithm, a generalized pruning method that reduces the model size across many more dimensions than pruning (depth, width, kernel size, and resolution). It can obtain a surprisingly large number of sub-networks (> 10^{19}) that can fit different hardware platforms and latency constraints while maintaining the same level of accuracy as training independently. On diverse edge devices, OFA consistently outperforms state-of-the-art (SOTA) NAS methods (up to 4.0% ImageNet top1 accuracy improvement over MobileNetV3, or same accuracy but 1.5x faster than MobileNetV3, 2.6x faster than EfficientNet w.r.t measured latency) while reducing many orders of magnitude GPU hours and CO_2 emission. In particular, OFA achieves a new SOTA 80.0% ImageNet top-1 accuracy under the mobile setting (<600M MACs). OFA is the winning solution for the 3rd Low Power Computer Vision Challenge (LPCVC), DSP classification track and the 4th LPCVC, both classification track and detection track. Code and 50 pre-trained models (for many devices & many latency constraints) are released at https://github.com/mit-han-lab/once-for-all.

Recent studies have drawn attention to the untapped potential of the "star operation" (element-wise multiplication) in network design. While intuitive explanations abound, the foundational rationale behind its application remains largely unexplored. Our study attempts to reveal the star operation's ability to map inputs into high-dimensional, non-linear feature spaces -- akin to kernel tricks -- without widening the network. We further introduce StarNet, a simple yet powerful prototype, demonstrating impressive performance and low latency under compact network structure and efficient budget. Like stars in the sky, the star operation appears unremarkable but holds a vast universe of potential. Our work encourages further exploration across tasks, with codes available at https://github.com/ma-xu/Rewrite-the-Stars.

Neural networks are known to produce poor uncertainty estimations, and a variety of approaches have been proposed to remedy this issue. This includes deep ensemble, a simple and effective method that achieves state-of-the-art results for uncertainty-aware learning tasks. In this work, we explore a combinatorial generalization of deep ensemble called deep combinatorial aggregation (DCA). DCA creates multiple instances of network components and aggregates their combinations to produce diversified model proposals and predictions. DCA components can be defined at different levels of granularity. And we discovered that coarse-grain DCAs can outperform deep ensemble for uncertainty-aware learning both in terms of predictive performance and uncertainty estimation. For fine-grain DCAs, we discover that an average parameterization approach named deep combinatorial weight averaging (DCWA) can improve the baseline training. It is on par with stochastic weight averaging (SWA) but does not require any custom training schedule or adaptation of BatchNorm layers. Furthermore, we propose a consistency enforcing loss that helps the training of DCWA and modelwise DCA. We experiment on in-domain, distributional shift, and out-of-distribution image classification tasks, and empirically confirm the effectiveness of DCWA and DCA approaches.

Graph representation learning resurges as a trending research subject owing to the widespread use of deep learning for Euclidean data, which inspire various creative designs of neural networks in the non-Euclidean domain, particularly graphs. With the success of these graph neural networks (GNN) in the static setting, we approach further practical scenarios where the graph dynamically evolves. Existing approaches typically resort to node embeddings and use a recurrent neural network (RNN, broadly speaking) to regulate the embeddings and learn the temporal dynamics. These methods require the knowledge of a node in the full time span (including both training and testing) and are less applicable to the frequent change of the node set. In some extreme scenarios, the node sets at different time steps may completely differ. To resolve this challenge, we propose EvolveGCN, which adapts the graph convolutional network (GCN) model along the temporal dimension without resorting to node embeddings. The proposed approach captures the dynamism of the graph sequence through using an RNN to evolve the GCN parameters. Two architectures are considered for the parameter evolution. We evaluate the proposed approach on tasks including link prediction, edge classification, and node classification. The experimental results indicate a generally higher performance of EvolveGCN compared with related approaches. The code is available at https://github.com/IBM/EvolveGCN.

Graph neural network (GNN) is a powerful learning approach for graph-based recommender systems. Recently, GNNs integrated with contrastive learning have shown superior performance in recommendation with their data augmentation schemes, aiming at dealing with highly sparse data. Despite their success, most existing graph contrastive learning methods either perform stochastic augmentation (e.g., node/edge perturbation) on the user-item interaction graph, or rely on the heuristic-based augmentation techniques (e.g., user clustering) for generating contrastive views. We argue that these methods cannot well preserve the intrinsic semantic structures and are easily biased by the noise perturbation. In this paper, we propose a simple yet effective graph contrastive learning paradigm LightGCL that mitigates these issues impairing the generality and robustness of CL-based recommenders. Our model exclusively utilizes singular value decomposition for contrastive augmentation, which enables the unconstrained structural refinement with global collaborative relation modeling. Experiments conducted on several benchmark datasets demonstrate the significant improvement in performance of our model over the state-of-the-arts. Further analyses demonstrate the superiority of LightGCL's robustness against data sparsity and popularity bias. The source code of our model is available at https://github.com/HKUDS/LightGCL.

Recent success in training deep neural networks have prompted active investigation into the features learned on their intermediate layers. Such research is difficult because it requires making sense of non-linear computations performed by millions of parameters, but valuable because it increases our ability to understand current models and create improved versions of them. In this paper we investigate the extent to which neural networks exhibit what we call convergent learning, which is when the representations learned by multiple nets converge to a set of features which are either individually similar between networks or where subsets of features span similar low-dimensional spaces. We propose a specific method of probing representations: training multiple networks and then comparing and contrasting their individual, learned representations at the level of neurons or groups of neurons. We begin research into this question using three techniques to approximately align different neural networks on a feature level: a bipartite matching approach that makes one-to-one assignments between neurons, a sparse prediction approach that finds one-to-many mappings, and a spectral clustering approach that finds many-to-many mappings. This initial investigation reveals a few previously unknown properties of neural networks, and we argue that future research into the question of convergent learning will yield many more. The insights described here include (1) that some features are learned reliably in multiple networks, yet other features are not consistently learned; (2) that units learn to span low-dimensional subspaces and, while these subspaces are common to multiple networks, the specific basis vectors learned are not; (3) that the representation codes show evidence of being a mix between a local code and slightly, but not fully, distributed codes across multiple units.

Geometric deep learning, i.e., designing neural networks to handle the ubiquitous geometric data such as point clouds and graphs, have achieved great successes in the last decade. One critical inductive bias is that the model can maintain invariance towards various transformations such as translation, rotation, and scaling. The existing graph neural network (GNN) approaches can only maintain permutation-invariance, failing to guarantee invariance with respect to other transformations. Besides GNNs, other works design sophisticated transformation-invariant layers, which are computationally expensive and difficult to be extended. To solve this problem, we revisit why the existing neural networks cannot maintain transformation invariance when handling geometric data. Our findings show that transformation-invariant and distance-preserving initial representations are sufficient to achieve transformation invariance rather than needing sophisticated neural layer designs. Motivated by these findings, we propose Transformation Invariant Neural Networks (TinvNN), a straightforward and general framework for geometric data. Specifically, we realize transformation-invariant and distance-preserving initial point representations by modifying multi-dimensional scaling before feeding the representations into neural networks. We prove that TinvNN can strictly guarantee transformation invariance, being general and flexible enough to be combined with the existing neural networks. Extensive experimental results on point cloud analysis and combinatorial optimization demonstrate the effectiveness and general applicability of our proposed method. Based on the experimental results, we advocate that TinvNN should be considered a new starting point and an essential baseline for further studies of transformation-invariant geometric deep learning.

It is well known that featuremap attention and multi-path representation are important for visual recognition. In this paper, we present a modularized architecture, which applies the channel-wise attention on different network branches to leverage their success in capturing cross-feature interactions and learning diverse representations. Our design results in a simple and unified computation block, which can be parameterized using only a few variables. Our model, named ResNeSt, outperforms EfficientNet in accuracy and latency trade-off on image classification. In addition, ResNeSt has achieved superior transfer learning results on several public benchmarks serving as the backbone, and has been adopted by the winning entries of COCO-LVIS challenge. The source code for complete system and pretrained models are publicly available.

In self-supervised learning, multi-granular features are heavily desired though rarely investigated, as different downstream tasks (e.g., general and fine-grained classification) often require different or multi-granular features, e.g.~fine- or coarse-grained one or their mixture. In this work, for the first time, we propose an effective MUlti-Granular Self-supervised learning (Mugs) framework to explicitly learn multi-granular visual features. Mugs has three complementary granular supervisions: 1) an instance discrimination supervision (IDS), 2) a novel local-group discrimination supervision (LGDS), and 3) a group discrimination supervision (GDS). IDS distinguishes different instances to learn instance-level fine-grained features. LGDS aggregates features of an image and its neighbors into a local-group feature, and pulls local-group features from different crops of the same image together and push them away for others. It provides complementary instance supervision to IDS via an extra alignment on local neighbors, and scatters different local-groups separately to increase discriminability. Accordingly, it helps learn high-level fine-grained features at a local-group level. Finally, to prevent similar local-groups from being scattered randomly or far away, GDS brings similar samples close and thus pulls similar local-groups together, capturing coarse-grained features at a (semantic) group level. Consequently, Mugs can capture three granular features that often enjoy higher generality on diverse downstream tasks over single-granular features, e.g.~instance-level fine-grained features in contrastive learning. By only pretraining on ImageNet-1K, Mugs sets new SoTA linear probing accuracy 82.1% on ImageNet-1K and improves previous SoTA by 1.1%. It also surpasses SoTAs on other tasks, e.g. transfer learning, detection and segmentation.

For convolutional neural network models that optimize an image embedding, we propose a method to highlight the regions of images that contribute most to pairwise similarity. This work is a corollary to the visualization tools developed for classification networks, but applicable to the problem domains better suited to similarity learning. The visualization shows how similarity networks that are fine-tuned learn to focus on different features. We also generalize our approach to embedding networks that use different pooling strategies and provide a simple mechanism to support image similarity searches on objects or sub-regions in the query image.

Model efficiency has become increasingly important in computer vision. In this paper, we systematically study neural network architecture design choices for object detection and propose several key optimizations to improve efficiency. First, we propose a weighted bi-directional feature pyramid network (BiFPN), which allows easy and fast multiscale feature fusion; Second, we propose a compound scaling method that uniformly scales the resolution, depth, and width for all backbone, feature network, and box/class prediction networks at the same time. Based on these optimizations and better backbones, we have developed a new family of object detectors, called EfficientDet, which consistently achieve much better efficiency than prior art across a wide spectrum of resource constraints. In particular, with single model and single-scale, our EfficientDet-D7 achieves state-of-the-art 55.1 AP on COCO test-dev with 77M parameters and 410B FLOPs, being 4x - 9x smaller and using 13x - 42x fewer FLOPs than previous detectors. Code is available at https://github.com/google/automl/tree/master/efficientdet.

Click-through prediction (CTR) models transform features into latent vectors and enumerate possible feature interactions to improve performance based on the input feature set. Therefore, when selecting an optimal feature set, we should consider the influence of both feature and its interaction. However, most previous works focus on either feature field selection or only select feature interaction based on the fixed feature set to produce the feature set. The former restricts search space to the feature field, which is too coarse to determine subtle features. They also do not filter useless feature interactions, leading to higher computation costs and degraded model performance. The latter identifies useful feature interaction from all available features, resulting in many redundant features in the feature set. In this paper, we propose a novel method named OptFS to address these problems. To unify the selection of feature and its interaction, we decompose the selection of each feature interaction into the selection of two correlated features. Such a decomposition makes the model end-to-end trainable given various feature interaction operations. By adopting feature-level search space, we set a learnable gate to determine whether each feature should be within the feature set. Because of the large-scale search space, we develop a learning-by-continuation training scheme to learn such gates. Hence, OptFS generates the feature set only containing features which improve the final prediction results. Experimentally, we evaluate OptFS on three public datasets, demonstrating OptFS can optimize feature sets which enhance the model performance and further reduce both the storage and computational cost.

Graph neural networks (GNNs) are one of the most popular approaches to using deep learning on graph-structured data, and they have shown state-of-the-art performances on a variety of tasks. However, according to a recent study, a careful choice of pooling functions, which are used for the aggregation and readout operations in GNNs, is crucial for enabling GNNs to extrapolate. Without proper choices of pooling functions, which varies across tasks, GNNs completely fail to generalize to out-of-distribution data, while the number of possible choices grows exponentially with the number of layers. In this paper, we present GNP, a L^p norm-like pooling function that is trainable end-to-end for any given task. Notably, GNP generalizes most of the widely-used pooling functions. We verify experimentally that simply using GNP for every aggregation and readout operation enables GNNs to extrapolate well on many node-level, graph-level, and set-related tasks; and GNP sometimes performs even better than the best-performing choices among existing pooling functions.

This work builds upon previous efforts in online incremental learning, namely the Incremental Gaussian Mixture Network (IGMN). The IGMN is capable of learning from data streams in a single-pass by improving its model after analyzing each data point and discarding it thereafter. Nevertheless, it suffers from the scalability point-of-view, due to its asymptotic time complexity of Obigl(NKD^3bigr) for N data points, K Gaussian components and D dimensions, rendering it inadequate for high-dimensional data. In this paper, we manage to reduce this complexity to Obigl(NKD^2bigr) by deriving formulas for working directly with precision matrices instead of covariance matrices. The final result is a much faster and scalable algorithm which can be applied to high dimensional tasks. This is confirmed by applying the modified algorithm to high-dimensional classification datasets.

Feature pyramid networks (FPN) are widely exploited for multi-scale feature fusion in existing advanced object detection frameworks. Numerous previous works have developed various structures for bidirectional feature fusion, all of which are shown to improve the detection performance effectively. We observe that these complicated network structures require feature pyramids to be stacked in a fixed order, which introduces longer pipelines and reduces the inference speed. Moreover, semantics from non-adjacent levels are diluted in the feature pyramid since only features at adjacent pyramid levels are merged by the local fusion operation in a sequence manner. To address these issues, we propose a novel architecture named RCNet, which consists of Reverse Feature Pyramid (RevFP) and Cross-scale Shift Network (CSN). RevFP utilizes local bidirectional feature fusion to simplify the bidirectional pyramid inference pipeline. CSN directly propagates representations to both adjacent and non-adjacent levels to enable multi-scale features more correlative. Extensive experiments on the MS COCO dataset demonstrate RCNet can consistently bring significant improvements over both one-stage and two-stage detectors with subtle extra computational overhead. In particular, RetinaNet is boosted to 40.2 AP, which is 3.7 points higher than baseline, by replacing FPN with our proposed model. On COCO test-dev, RCNet can achieve very competitive performance with a single-model single-scale 50.5 AP. Codes will be made available.

Prototypical part network (ProtoPNet) methods have been designed to achieve interpretable classification by associating predictions with a set of training prototypes, which we refer to as trivial prototypes because they are trained to lie far from the classification boundary in the feature space. Note that it is possible to make an analogy between ProtoPNet and support vector machine (SVM) given that the classification from both methods relies on computing similarity with a set of training points (i.e., trivial prototypes in ProtoPNet, and support vectors in SVM). However, while trivial prototypes are located far from the classification boundary, support vectors are located close to this boundary, and we argue that this discrepancy with the well-established SVM theory can result in ProtoPNet models with inferior classification accuracy. In this paper, we aim to improve the classification of ProtoPNet with a new method to learn support prototypes that lie near the classification boundary in the feature space, as suggested by the SVM theory. In addition, we target the improvement of classification results with a new model, named ST-ProtoPNet, which exploits our support prototypes and the trivial prototypes to provide more effective classification. Experimental results on CUB-200-2011, Stanford Cars, and Stanford Dogs datasets demonstrate that ST-ProtoPNet achieves state-of-the-art classification accuracy and interpretability results. We also show that the proposed support prototypes tend to be better localised in the object of interest rather than in the background region.

In recent years, the use of large convolutional kernels has become popular in designing convolutional neural networks due to their ability to capture long-range dependencies and provide large receptive fields. However, the increase in kernel size also leads to a quadratic growth in the number of parameters, resulting in heavy computation and memory requirements. To address this challenge, we propose a neighborhood attention (NA) module that upgrades the standard convolution with a self-attention mechanism. The NA module efficiently extracts long-range dependencies in a sliding window pattern, thereby achieving similar performance to large convolutional kernels but with fewer parameters. Building upon the NA module, we propose a lightweight single image super-resolution (SISR) network named TCSR. Additionally, we introduce an enhanced feed-forward network (EFFN) in TCSR to improve the SISR performance. EFFN employs a parameter-free spatial-shift operation for efficient feature aggregation. Our extensive experiments and ablation studies demonstrate that TCSR outperforms existing lightweight SISR methods and achieves state-of-the-art performance. Our codes are available at https://github.com/Aitical/TCSR.

This paper addresses unsupervised representation learning on tabular data containing multiple views generated by distinct sources of measurement. Traditional methods, which tackle this problem using the multi-view framework, are constrained by predefined assumptions that assume feature sets share the same information and representations should learn globally shared factors. However, this assumption is not always valid for real-world tabular datasets with complex dependencies between feature sets, resulting in localized information that is harder to learn. To overcome this limitation, we propose a data-driven approach that learns feature set dependencies by representing feature sets as graph nodes and their relationships as learnable edges. Furthermore, we introduce LEGATO, a novel hierarchical graph autoencoder that learns a smaller, latent graph to aggregate information from multiple views dynamically. This approach results in latent graph components that specialize in capturing localized information from different regions of the input, leading to superior downstream performance.

While many unsupervised learning models focus on one family of tasks, either generative or discriminative, we explore the possibility of a unified representation learner: a model which uses a single pre-training stage to address both families of tasks simultaneously. We identify diffusion models as a prime candidate. Diffusion models have risen to prominence as a state-of-the-art method for image generation, denoising, inpainting, super-resolution, manipulation, etc. Such models involve training a U-Net to iteratively predict and remove noise, and the resulting model can synthesize high fidelity, diverse, novel images. The U-Net architecture, as a convolution-based architecture, generates a diverse set of feature representations in the form of intermediate feature maps. We present our findings that these embeddings are useful beyond the noise prediction task, as they contain discriminative information and can also be leveraged for classification. We explore optimal methods for extracting and using these embeddings for classification tasks, demonstrating promising results on the ImageNet classification task. We find that with careful feature selection and pooling, diffusion models outperform comparable generative-discriminative methods such as BigBiGAN for classification tasks. We investigate diffusion models in the transfer learning regime, examining their performance on several fine-grained visual classification datasets. We compare these embeddings to those generated by competing architectures and pre-trainings for classification tasks.

Lane detection is a challenging task that requires predicting complex topology shapes of lane lines and distinguishing different types of lanes simultaneously. Earlier works follow a top-down roadmap to regress predefined anchors into various shapes of lane lines, which lacks enough flexibility to fit complex shapes of lanes due to the fixed anchor shapes. Lately, some works propose to formulate lane detection as a keypoint estimation problem to describe the shapes of lane lines more flexibly and gradually group adjacent keypoints belonging to the same lane line in a point-by-point manner, which is inefficient and time-consuming during postprocessing. In this paper, we propose a Global Association Network (GANet) to formulate the lane detection problem from a new perspective, where each keypoint is directly regressed to the starting point of the lane line instead of point-by-point extension. Concretely, the association of keypoints to their belonged lane line is conducted by predicting their offsets to the corresponding starting points of lanes globally without dependence on each other, which could be done in parallel to greatly improve efficiency. In addition, we further propose a Lane-aware Feature Aggregator (LFA), which adaptively captures the local correlations between adjacent keypoints to supplement local information to the global association. Extensive experiments on two popular lane detection benchmarks show that our method outperforms previous methods with F1 score of 79.63% on CULane and 97.71% on Tusimple dataset with high FPS. The code will be released at https://github.com/Wolfwjs/GANet.

We study the ability of foundation models to learn representations for classification that are transferable to new, unseen classes. Recent results in the literature show that representations learned by a single classifier over many classes are competitive on few-shot learning problems with representations learned by special-purpose algorithms designed for such problems. In this paper we provide an explanation for this behavior based on the recently observed phenomenon that the features learned by overparameterized classification networks show an interesting clustering property, called neural collapse. We demonstrate both theoretically and empirically that neural collapse generalizes to new samples from the training classes, and -- more importantly -- to new classes as well, allowing foundation models to provide feature maps that work well in transfer learning and, specifically, in the few-shot setting.

In deep learning, visualization techniques extract the salient patterns exploited by deep networks for image classification, focusing on single images; no effort has been spent in investigating whether these patterns are systematically related to precise semantic entities over multiple images belonging to a same class, thus failing to capture the very understanding of the image class the network has realized. This paper goes in this direction, presenting a visualization framework which produces a group of clusters or summaries, each one formed by crisp salient image regions focusing on a particular part that the network has exploited with high regularity to decide for a given class. The approach is based on a sparse optimization step providing sharp image saliency masks that are clustered together by means of a semantic flow similarity measure. The summaries communicate clearly what a network has exploited of a particular image class, and this is proved through automatic image tagging and with a user study. Beyond the deep network understanding, summaries are also useful for many quantitative reasons: their number is correlated with ability of a network to classify (more summaries, better performances), and they can be used to improve the classification accuracy of a network through summary-driven specializations.

Convolutional networks are at the core of most state-of-the-art computer vision solutions for a wide variety of tasks. Since 2014 very deep convolutional networks started to become mainstream, yielding substantial gains in various benchmarks. Although increased model size and computational cost tend to translate to immediate quality gains for most tasks (as long as enough labeled data is provided for training), computational efficiency and low parameter count are still enabling factors for various use cases such as mobile vision and big-data scenarios. Here we explore ways to scale up networks in ways that aim at utilizing the added computation as efficiently as possible by suitably factorized convolutions and aggressive regularization. We benchmark our methods on the ILSVRC 2012 classification challenge validation set demonstrate substantial gains over the state of the art: 21.2% top-1 and 5.6% top-5 error for single frame evaluation using a network with a computational cost of 5 billion multiply-adds per inference and with using less than 25 million parameters. With an ensemble of 4 models and multi-crop evaluation, we report 3.5% top-5 error on the validation set (3.6% error on the test set) and 17.3% top-1 error on the validation set.

The public model zoo containing enormous powerful pretrained model families (e.g., ResNet/DeiT) has reached an unprecedented scope than ever, which significantly contributes to the success of deep learning. As each model family consists of pretrained models with diverse scales (e.g., DeiT-Ti/S/B), it naturally arises a fundamental question of how to efficiently assemble these readily available models in a family for dynamic accuracy-efficiency trade-offs at runtime. To this end, we present Stitchable Neural Networks (SN-Net), a novel scalable and efficient framework for model deployment. It cheaply produces numerous networks with different complexity and performance trade-offs given a family of pretrained neural networks, which we call anchors. Specifically, SN-Net splits the anchors across the blocks/layers and then stitches them together with simple stitching layers to map the activations from one anchor to another. With only a few epochs of training, SN-Net effectively interpolates between the performance of anchors with varying scales. At runtime, SN-Net can instantly adapt to dynamic resource constraints by switching the stitching positions. Extensive experiments on ImageNet classification demonstrate that SN-Net can obtain on-par or even better performance than many individually trained networks while supporting diverse deployment scenarios. For example, by stitching Swin Transformers, we challenge hundreds of models in Timm model zoo with a single network. We believe this new elastic model framework can serve as a strong baseline for further research in wider communities.

We present an end-to-end deep learning segmentation method by combining a 3D UNet architecture with a graph neural network (GNN) model. In this approach, the convolutional layers at the deepest level of the UNet are replaced by a GNN-based module with a series of graph convolutions. The dense feature maps at this level are transformed into a graph input to the GNN module. The incorporation of graph convolutions in the UNet provides nodes in the graph with information that is based on node connectivity, in addition to the local features learnt through the downsampled paths. This information can help improve segmentation decisions. By stacking several graph convolution layers, the nodes can access higher order neighbourhood information without substantial increase in computational expense. We propose two types of node connectivity in the graph adjacency: i) one predefined and based on a regular node neighbourhood, and ii) one dynamically computed during training and using the nearest neighbour nodes in the feature space. We have applied this method to the task of segmenting the airway tree from chest CT scans. Experiments have been performed on 32 CTs from the Danish Lung Cancer Screening Trial dataset. We evaluate the performance of the UNet-GNN models with two types of graph adjacency and compare it with the baseline UNet.

Recent work has shown that convolutional networks can be substantially deeper, more accurate, and efficient to train if they contain shorter connections between layers close to the input and those close to the output. In this paper, we embrace this observation and introduce the Dense Convolutional Network (DenseNet), which connects each layer to every other layer in a feed-forward fashion. Whereas traditional convolutional networks with L layers have L connections - one between each layer and its subsequent layer - our network has L(L+1)/2 direct connections. For each layer, the feature-maps of all preceding layers are used as inputs, and its own feature-maps are used as inputs into all subsequent layers. DenseNets have several compelling advantages: they alleviate the vanishing-gradient problem, strengthen feature propagation, encourage feature reuse, and substantially reduce the number of parameters. We evaluate our proposed architecture on four highly competitive object recognition benchmark tasks (CIFAR-10, CIFAR-100, SVHN, and ImageNet). DenseNets obtain significant improvements over the state-of-the-art on most of them, whilst requiring less computation to achieve high performance. Code and pre-trained models are available at https://github.com/liuzhuang13/DenseNet .

Graph neural network (GNN), as a powerful representation learning model on graph data, attracts much attention across various disciplines. However, recent studies show that GNN is vulnerable to adversarial attacks. How to make GNN more robust? What are the key vulnerabilities in GNN? How to address the vulnerabilities and defense GNN against the adversarial attacks? In this paper, we propose DefNet, an effective adversarial defense framework for GNNs. In particular, we first investigate the latent vulnerabilities in every layer of GNNs and propose corresponding strategies including dual-stage aggregation and bottleneck perceptron. Then, to cope with the scarcity of training data, we propose an adversarial contrastive learning method to train the GNN in a conditional GAN manner by leveraging the high-level graph representation. Extensive experiments on three public datasets demonstrate the effectiveness of DefNet in improving the robustness of popular GNN variants, such as Graph Convolutional Network and GraphSAGE, under various types of adversarial attacks.

Graph neural networks (GNNs) are a powerful architecture for tackling graph learning tasks, yet have been shown to be oblivious to eminent substructures such as cycles. We present TOGL, a novel layer that incorporates global topological information of a graph using persistent homology. TOGL can be easily integrated into any type of GNN and is strictly more expressive (in terms the Weisfeiler--Lehman graph isomorphism test) than message-passing GNNs. Augmenting GNNs with TOGL leads to improved predictive performance for graph and node classification tasks, both on synthetic data sets, which can be classified by humans using their topology but not by ordinary GNNs, and on real-world data.

Recent results indicate that the generic descriptors extracted from the convolutional neural networks are very powerful. This paper adds to the mounting evidence that this is indeed the case. We report on a series of experiments conducted for different recognition tasks using the publicly available code and model of the \overfeat network which was trained to perform object classification on ILSVRC13. We use features extracted from the \overfeat network as a generic image representation to tackle the diverse range of recognition tasks of object image classification, scene recognition, fine grained recognition, attribute detection and image retrieval applied to a diverse set of datasets. We selected these tasks and datasets as they gradually move further away from the original task and data the \overfeat network was trained to solve. Astonishingly, we report consistent superior results compared to the highly tuned state-of-the-art systems in all the visual classification tasks on various datasets. For instance retrieval it consistently outperforms low memory footprint methods except for sculptures dataset. The results are achieved using a linear SVM classifier (or L2 distance in case of retrieval) applied to a feature representation of size 4096 extracted from a layer in the net. The representations are further modified using simple augmentation techniques e.g. jittering. The results strongly suggest that features obtained from deep learning with convolutional nets should be the primary candidate in most visual recognition tasks.

Hypernetworks, neural networks that predict the parameters of another neural network, are powerful models that have been successfully used in diverse applications from image generation to multi-task learning. Unfortunately, existing hypernetworks are often challenging to train. Training typically converges far more slowly than for non-hypernetwork models, and the rate of convergence can be very sensitive to hyperparameter choices. In this work, we identify a fundamental and previously unidentified problem that contributes to the challenge of training hypernetworks: a magnitude proportionality between the inputs and outputs of the hypernetwork. We demonstrate both analytically and empirically that this can lead to unstable optimization, thereby slowing down convergence, and sometimes even preventing any learning. We present a simple solution to this problem using a revised hypernetwork formulation that we call Magnitude Invariant Parametrizations (MIP). We demonstrate the proposed solution on several hypernetwork tasks, where it consistently stabilizes training and achieves faster convergence. Furthermore, we perform a comprehensive ablation study including choices of activation function, normalization strategies, input dimensionality, and hypernetwork architecture; and find that MIP improves training in all scenarios. We provide easy-to-use code that can turn existing networks into MIP-based hypernetworks.

Graph convolutional networks (GCNs) are the most commonly used methods for skeleton-based action recognition and have achieved remarkable performance. Generating adjacency matrices with semantically meaningful edges is particularly important for this task, but extracting such edges is challenging problem. To solve this, we propose a hierarchically decomposed graph convolutional network (HD-GCN) architecture with a novel hierarchically decomposed graph (HD-Graph). The proposed HD-GCN effectively decomposes every joint node into several sets to extract major structurally adjacent and distant edges, and uses them to construct an HD-Graph containing those edges in the same semantic spaces of a human skeleton. In addition, we introduce an attention-guided hierarchy aggregation (A-HA) module to highlight the dominant hierarchical edge sets of the HD-Graph. Furthermore, we apply a new six-way ensemble method, which uses only joint and bone stream without any motion stream. The proposed model is evaluated and achieves state-of-the-art performance on four large, popular datasets. Finally, we demonstrate the effectiveness of our model with various comparative experiments.

Downsampling layers, including pooling and strided convolutions, are crucial components of the convolutional neural network architecture that determine both the granularity/scale of image feature analysis as well as the receptive field size of a given layer. To fully understand this problem, we analyse the performance of models independently trained with each pooling configurations on CIFAR10, using a ResNet20 network, and show that the position of the downsampling layers can highly influence the performance of a network and predefined downsampling configurations are not optimal. Network Architecture Search (NAS) might be used to optimize downsampling configurations as an hyperparameter. However, we find that common one-shot NAS based on a single SuperNet does not work for this problem. We argue that this is because a SuperNet trained for finding the optimal pooling configuration fully shares its parameters among all pooling configurations. This makes its training hard, because learning some configurations can harm the performance of others. Therefore, we propose a balanced mixture of SuperNets that automatically associates pooling configurations to different weight models and helps to reduce the weight-sharing and inter-influence of pooling configurations on the SuperNet parameters. We evaluate our proposed approach on CIFAR10, CIFAR100, as well as Food101 and show that in all cases, our model outperforms other approaches and improves over the default pooling configurations.

Time series analysis is of immense importance in extensive applications, such as weather forecasting, anomaly detection, and action recognition. This paper focuses on temporal variation modeling, which is the common key problem of extensive analysis tasks. Previous methods attempt to accomplish this directly from the 1D time series, which is extremely challenging due to the intricate temporal patterns. Based on the observation of multi-periodicity in time series, we ravel out the complex temporal variations into the multiple intraperiod- and interperiod-variations. To tackle the limitations of 1D time series in representation capability, we extend the analysis of temporal variations into the 2D space by transforming the 1D time series into a set of 2D tensors based on multiple periods. This transformation can embed the intraperiod- and interperiod-variations into the columns and rows of the 2D tensors respectively, making the 2D-variations to be easily modeled by 2D kernels. Technically, we propose the TimesNet with TimesBlock as a task-general backbone for time series analysis. TimesBlock can discover the multi-periodicity adaptively and extract the complex temporal variations from transformed 2D tensors by a parameter-efficient inception block. Our proposed TimesNet achieves consistent state-of-the-art in five mainstream time series analysis tasks, including short- and long-term forecasting, imputation, classification, and anomaly detection. Code is available at this repository: https://github.com/thuml/TimesNet.

In modern machine learning problems we deal with datasets that are either distributed by nature or potentially large for which distributing the computations is usually a standard way to proceed, since centralized algorithms are in general ineffective. We propose a distributed learning approach for mixtures of experts (MoE) models with an aggregation strategy to construct a reduction estimator from local estimators fitted parallelly to distributed subsets of the data. The aggregation is based on an optimal minimization of an expected transportation divergence between the large MoE composed of local estimators and the unknown desired MoE model. We show that the provided reduction estimator is consistent as soon as the local estimators to be aggregated are consistent, and its construction is performed by a proposed majorization-minimization (MM) algorithm that is computationally effective. We study the statistical and numerical properties for the proposed reduction estimator on experiments that demonstrate its performance compared to namely the global estimator constructed in a centralized way from the full dataset. For some situations, the computation time is more than ten times faster, for a comparable performance. Our source codes are publicly available on Github.

Convolutional Neural Networks (CNNs) can provide accurate object classification. They can be extended to perform object detection by iterating over dense or selected proposed object regions. However, the runtime of such detectors scales as the total number and/or area of regions to examine per image, and training such detectors may be prohibitively slow. However, for some CNN classifier topologies, it is possible to share significant work among overlapping regions to be classified. This paper presents DenseNet, an open source system that computes dense, multiscale features from the convolutional layers of a CNN based object classifier. Future work will involve training efficient object detectors with DenseNet feature descriptors.

Vision Transformer (ViT) demonstrates that Transformer for natural language processing can be applied to computer vision tasks and result in comparable performance to convolutional neural networks (CNN), which have been studied and adopted in computer vision for years. This naturally raises the question of how the performance of ViT can be advanced with design techniques of CNN. To this end, we propose to incorporate two techniques and present ViT-ResNAS, an efficient multi-stage ViT architecture designed with neural architecture search (NAS). First, we propose residual spatial reduction to decrease sequence lengths for deeper layers and utilize a multi-stage architecture. When reducing lengths, we add skip connections to improve performance and stabilize training deeper networks. Second, we propose weight-sharing NAS with multi-architectural sampling. We enlarge a network and utilize its sub-networks to define a search space. A super-network covering all sub-networks is then trained for fast evaluation of their performance. To efficiently train the super-network, we propose to sample and train multiple sub-networks with one forward-backward pass. After that, evolutionary search is performed to discover high-performance network architectures. Experiments on ImageNet demonstrate that ViT-ResNAS achieves better accuracy-MACs and accuracy-throughput trade-offs than the original DeiT and other strong baselines of ViT. Code is available at https://github.com/yilunliao/vit-search.

We revisit the one-shot Neural Architecture Search (NAS) paradigm and analyze its advantages over existing NAS approaches. Existing one-shot method, however, is hard to train and not yet effective on large scale datasets like ImageNet. This work propose a Single Path One-Shot model to address the challenge in the training. Our central idea is to construct a simplified supernet, where all architectures are single paths so that weight co-adaption problem is alleviated. Training is performed by uniform path sampling. All architectures (and their weights) are trained fully and equally. Comprehensive experiments verify that our approach is flexible and effective. It is easy to train and fast to search. It effortlessly supports complex search spaces (e.g., building blocks, channel, mixed-precision quantization) and different search constraints (e.g., FLOPs, latency). It is thus convenient to use for various needs. It achieves start-of-the-art performance on the large dataset ImageNet.

Videos take a lot of time to transport over the network, hence running analytics on the live video on embedded or mobile devices has become an important system driver. Considering that such devices, e.g., surveillance cameras or AR/VR gadgets, are resource constrained, creating lightweight deep neural networks (DNNs) for embedded devices is crucial. None of the current approximation techniques for object classification DNNs can adapt to changing runtime conditions, e.g., changes in resource availability on the device, the content characteristics, or requirements from the user. In this paper, we introduce ApproxNet, a video object classification system for embedded or mobile clients. It enables novel dynamic approximation techniques to achieve desired inference latency and accuracy trade-off under changing runtime conditions. It achieves this by enabling two approximation knobs within a single DNN model, rather than creating and maintaining an ensemble of models (e.g., MCDNN [MobiSys-16]. We show that ApproxNet can adapt seamlessly at runtime to these changes, provides low and stable latency for the image and video frame classification problems, and show the improvement in accuracy and latency over ResNet [CVPR-16], MCDNN [MobiSys-16], MobileNets [Google-17], NestDNN [MobiCom-18], and MSDNet [ICLR-18].

The Non-Local Network (NLNet) presents a pioneering approach for capturing long-range dependencies within an image, via aggregating query-specific global context to each query position. However, through a rigorous empirical analysis, we have found that the global contexts modeled by the non-local network are almost the same for different query positions. In this paper, we take advantage of this finding to create a simplified network based on a query-independent formulation, which maintains the accuracy of NLNet but with significantly less computation. We further replace the one-layer transformation function of the non-local block by a two-layer bottleneck, which further reduces the parameter number considerably. The resulting network element, called the global context (GC) block, effectively models global context in a lightweight manner, allowing it to be applied at multiple layers of a backbone network to form a global context network (GCNet). Experiments show that GCNet generally outperforms NLNet on major benchmarks for various recognition tasks. The code and network configurations are available at https://github.com/xvjiarui/GCNet.

Neural networks have become an increasingly popular tool for solving many real-world problems. They are a general framework for differentiable optimization which includes many other machine learning approaches as special cases. In this thesis we build a category-theoretic formalism around a class of neural networks exemplified by CycleGAN. CycleGAN is a collection of neural networks, closed under composition, whose inductive bias is increased by enforcing composition invariants, i.e. cycle-consistencies. Inspired by Functorial Data Migration, we specify the interconnection of these networks using a categorical schema, and network instances as set-valued functors on this schema. We also frame neural network architectures, datasets, models, and a number of other concepts in a categorical setting and thus show a special class of functors, rather than functions, can be learned using gradient descent. We use the category-theoretic framework to conceive a novel neural network architecture whose goal is to learn the task of object insertion and object deletion in images with unpaired data. We test the architecture on three different datasets and obtain promising results.

Graph Neural Networks (GNNs) are popular models for graph learning problems. GNNs show strong empirical performance in many practical tasks. However, the theoretical properties have not been completely elucidated. In this paper, we investigate whether GNNs can exploit the graph structure from the perspective of the expressive power of GNNs. In our analysis, we consider graph generation processes that are controlled by hidden (or latent) node features, which contain all information about the graph structure. A typical example of this framework is kNN graphs constructed from the hidden features. In our main results, we show that GNNs can recover the hidden node features from the input graph alone, even when all node features, including the hidden features themselves and any indirect hints, are unavailable. GNNs can further use the recovered node features for downstream tasks. These results show that GNNs can fully exploit the graph structure by themselves, and in effect, GNNs can use both the hidden and explicit node features for downstream tasks. In the experiments, we confirm the validity of our results by showing that GNNs can accurately recover the hidden features using a GNN architecture built based on our theoretical analysis.

Neural net classifiers trained on data with annotated class labels can also capture apparent visual similarity among categories without being directed to do so. We study whether this observation can be extended beyond the conventional domain of supervised learning: Can we learn a good feature representation that captures apparent similarity among instances, instead of classes, by merely asking the feature to be discriminative of individual instances? We formulate this intuition as a non-parametric classification problem at the instance-level, and use noise-contrastive estimation to tackle the computational challenges imposed by the large number of instance classes. Our experimental results demonstrate that, under unsupervised learning settings, our method surpasses the state-of-the-art on ImageNet classification by a large margin. Our method is also remarkable for consistently improving test performance with more training data and better network architectures. By fine-tuning the learned feature, we further obtain competitive results for semi-supervised learning and object detection tasks. Our non-parametric model is highly compact: With 128 features per image, our method requires only 600MB storage for a million images, enabling fast nearest neighbour retrieval at the run time.

The recent rapid development of deep learning has laid a milestone in industrial Image Anomaly Detection (IAD). In this paper, we provide a comprehensive review of deep learning-based image anomaly detection techniques, from the perspectives of neural network architectures, levels of supervision, loss functions, metrics and datasets. In addition, we extract the new setting from industrial manufacturing and review the current IAD approaches under our proposed our new setting. Moreover, we highlight several opening challenges for image anomaly detection. The merits and downsides of representative network architectures under varying supervision are discussed. Finally, we summarize the research findings and point out future research directions. More resources are available at https://github.com/M-3LAB/awesome-industrial-anomaly-detection.

Despite the remarkable success achieved by neural networks, particularly those represented by MLP and Transformer, we reveal that they exhibit potential flaws in the modeling and reasoning of periodicity, i.e., they tend to memorize the periodic data rather than genuinely understanding the underlying principles of periodicity. However, periodicity is a crucial trait in various forms of reasoning and generalization, underpinning predictability across natural and engineered systems through recurring patterns in observations. In this paper, we propose FAN, a novel network architecture based on Fourier Analysis, which empowers the ability to efficiently model and reason about periodic phenomena. By introducing Fourier Series, the periodicity is naturally integrated into the structure and computational processes of the neural network, thus achieving a more accurate expression and prediction of periodic patterns. As a promising substitute to multi-layer perceptron (MLP), FAN can seamlessly replace MLP in various models with fewer parameters and FLOPs. Through extensive experiments, we demonstrate the effectiveness of FAN in modeling and reasoning about periodic functions, and the superiority and generalizability of FAN across a range of real-world tasks, including symbolic formula representation, time series forecasting, and language modeling.

We propose a filtering feature selection framework that considers subsets of features as paths in a graph, where a node is a feature and an edge indicates pairwise (customizable) relations among features, dealing with relevance and redundancy principles. By two different interpretations (exploiting properties of power series of matrices and relying on Markov chains fundamentals) we can evaluate the values of paths (i.e., feature subsets) of arbitrary lengths, eventually go to infinite, from which we dub our framework Infinite Feature Selection (Inf-FS). Going to infinite allows to constrain the computational complexity of the selection process, and to rank the features in an elegant way, that is, considering the value of any path (subset) containing a particular feature. We also propose a simple unsupervised strategy to cut the ranking, so providing the subset of features to keep. In the experiments, we analyze diverse settings with heterogeneous features, for a total of 11 benchmarks, comparing against 18 widely-known comparative approaches. The results show that Inf-FS behaves better in almost any situation, that is, when the number of features to keep are fixed a priori, or when the decision of the subset cardinality is part of the process.

A neural network with the widely-used ReLU activation has been shown to partition the sample space into many convex polytopes for prediction. However, the parameterized way a neural network and other machine learning models use to partition the space has imperfections, e.g., the compromised interpretability for complex models, the inflexibility in decision boundary construction due to the generic character of the model, and the risk of being trapped into shortcut solutions. In contrast, although the non-parameterized models can adorably avoid or downplay these issues, they are usually insufficiently powerful either due to over-simplification or the failure to accommodate the manifold structures of data. In this context, we first propose a new type of machine learning models referred to as Manifoldron that directly derives decision boundaries from data and partitions the space via manifold structure discovery. Then, we systematically analyze the key characteristics of the Manifoldron such as manifold characterization capability and its link to neural networks. The experimental results on 4 synthetic examples, 20 public benchmark datasets, and 1 real-world application demonstrate that the proposed Manifoldron performs competitively compared to the mainstream machine learning models. We have shared our code in https://github.com/wdayang/Manifoldron for free download and evaluation.

Deep learning has been successful in automating the design of features in machine learning pipelines. However, the algorithms optimizing neural network parameters remain largely hand-designed and computationally inefficient. We study if we can use deep learning to directly predict these parameters by exploiting the past knowledge of training other networks. We introduce a large-scale dataset of diverse computational graphs of neural architectures - DeepNets-1M - and use it to explore parameter prediction on CIFAR-10 and ImageNet. By leveraging advances in graph neural networks, we propose a hypernetwork that can predict performant parameters in a single forward pass taking a fraction of a second, even on a CPU. The proposed model achieves surprisingly good performance on unseen and diverse networks. For example, it is able to predict all 24 million parameters of a ResNet-50 achieving a 60% accuracy on CIFAR-10. On ImageNet, top-5 accuracy of some of our networks approaches 50%. Our task along with the model and results can potentially lead to a new, more computationally efficient paradigm of training networks. Our model also learns a strong representation of neural architectures enabling their analysis.

TorchGAN is a PyTorch based framework for writing succinct and comprehensible code for training and evaluation of Generative Adversarial Networks. The framework's modular design allows effortless customization of the model architecture, loss functions, training paradigms, and evaluation metrics. The key features of TorchGAN are its extensibility, built-in support for a large number of popular models, losses and evaluation metrics, and zero overhead compared to vanilla PyTorch. By using the framework to implement several popular GAN models, we demonstrate its extensibility and ease of use. We also benchmark the training time of our framework for said models against the corresponding baseline PyTorch implementations and observe that TorchGAN's features bear almost zero overhead.

When we are faced with challenging image classification tasks, we often explain our reasoning by dissecting the image, and pointing out prototypical aspects of one class or another. The mounting evidence for each of the classes helps us make our final decision. In this work, we introduce a deep network architecture -- prototypical part network (ProtoPNet), that reasons in a similar way: the network dissects the image by finding prototypical parts, and combines evidence from the prototypes to make a final classification. The model thus reasons in a way that is qualitatively similar to the way ornithologists, physicians, and others would explain to people on how to solve challenging image classification tasks. The network uses only image-level labels for training without any annotations for parts of images. We demonstrate our method on the CUB-200-2011 dataset and the Stanford Cars dataset. Our experiments show that ProtoPNet can achieve comparable accuracy with its analogous non-interpretable counterpart, and when several ProtoPNets are combined into a larger network, it can achieve an accuracy that is on par with some of the best-performing deep models. Moreover, ProtoPNet provides a level of interpretability that is absent in other interpretable deep models.

Recent studies suggest that deep learning models inductive bias towards favoring simpler features may be one of the sources of shortcut learning. Yet, there has been limited focus on understanding the complexity of the myriad features that models learn. In this work, we introduce a new metric for quantifying feature complexity, based on V-information and capturing whether a feature requires complex computational transformations to be extracted. Using this V-information metric, we analyze the complexities of 10,000 features, represented as directions in the penultimate layer, that were extracted from a standard ImageNet-trained vision model. Our study addresses four key questions: First, we ask what features look like as a function of complexity and find a spectrum of simple to complex features present within the model. Second, we ask when features are learned during training. We find that simpler features dominate early in training, and more complex features emerge gradually. Third, we investigate where within the network simple and complex features flow, and find that simpler features tend to bypass the visual hierarchy via residual connections. Fourth, we explore the connection between features complexity and their importance in driving the networks decision. We find that complex features tend to be less important. Surprisingly, important features become accessible at earlier layers during training, like a sedimentation process, allowing the model to build upon these foundational elements.

Developing neural network image classification models often requires significant architecture engineering. In this paper, we study a method to learn the model architectures directly on the dataset of interest. As this approach is expensive when the dataset is large, we propose to search for an architectural building block on a small dataset and then transfer the block to a larger dataset. The key contribution of this work is the design of a new search space (the "NASNet search space") which enables transferability. In our experiments, we search for the best convolutional layer (or "cell") on the CIFAR-10 dataset and then apply this cell to the ImageNet dataset by stacking together more copies of this cell, each with their own parameters to design a convolutional architecture, named "NASNet architecture". We also introduce a new regularization technique called ScheduledDropPath that significantly improves generalization in the NASNet models. On CIFAR-10 itself, NASNet achieves 2.4% error rate, which is state-of-the-art. On ImageNet, NASNet achieves, among the published works, state-of-the-art accuracy of 82.7% top-1 and 96.2% top-5 on ImageNet. Our model is 1.2% better in top-1 accuracy than the best human-invented architectures while having 9 billion fewer FLOPS - a reduction of 28% in computational demand from the previous state-of-the-art model. When evaluated at different levels of computational cost, accuracies of NASNets exceed those of the state-of-the-art human-designed models. For instance, a small version of NASNet also achieves 74% top-1 accuracy, which is 3.1% better than equivalently-sized, state-of-the-art models for mobile platforms. Finally, the learned features by NASNet used with the Faster-RCNN framework surpass state-of-the-art by 4.0% achieving 43.1% mAP on the COCO dataset.

This paper introduces a new model to learn graph neural networks equivariant to rotations, translations, reflections and permutations called E(n)-Equivariant Graph Neural Networks (EGNNs). In contrast with existing methods, our work does not require computationally expensive higher-order representations in intermediate layers while it still achieves competitive or better performance. In addition, whereas existing methods are limited to equivariance on 3 dimensional spaces, our model is easily scaled to higher-dimensional spaces. We demonstrate the effectiveness of our method on dynamical systems modelling, representation learning in graph autoencoders and predicting molecular properties.

The success of machine learning algorithms generally depends on data representation, and we hypothesize that this is because different representations can entangle and hide more or less the different explanatory factors of variation behind the data. Although specific domain knowledge can be used to help design representations, learning with generic priors can also be used, and the quest for AI is motivating the design of more powerful representation-learning algorithms implementing such priors. This paper reviews recent work in the area of unsupervised feature learning and deep learning, covering advances in probabilistic models, auto-encoders, manifold learning, and deep networks. This motivates longer-term unanswered questions about the appropriate objectives for learning good representations, for computing representations (i.e., inference), and the geometrical connections between representation learning, density estimation and manifold learning.

With the increase of data in day-to-day life, businesses and different stakeholders need to analyze the data for better predictions. Traditionally, relational data has been a source of various insights, but with the increase in computational power and the need to understand deeper relationships between entities, the need to design new techniques has arisen. For this graph data analysis has become an extraordinary tool for understanding the data, which reveals more realistic and flexible modelling of complex relationships. Recently, Graph Neural Networks (GNNs) have shown great promise in various applications, such as social network analysis, recommendation systems, drug discovery, and more. However, many adversarial attacks can happen over the data, whether during training (poisoning attack) or during testing (evasion attack), which can adversely manipulate the desired outcome from the GNN model. Therefore, it is crucial to make the GNNs robust to such attacks. The existing robustness methods are computationally demanding and perform poorly when the intensity of attack increases. This paper presents a computationally efficient framework, namely, pLapGNN, based on weighted p-Laplacian for making GNNs robust. Empirical evaluation on real datasets establishes the efficacy and efficiency of the proposed method.

Mixup is a data augmentation technique that relies on training using random convex combinations of data points and their labels. In recent years, Mixup has become a standard primitive used in the training of state-of-the-art image classification models due to its demonstrated benefits over empirical risk minimization with regards to generalization and robustness. In this work, we try to explain some of this success from a feature learning perspective. We focus our attention on classification problems in which each class may have multiple associated features (or views) that can be used to predict the class correctly. Our main theoretical results demonstrate that, for a non-trivial class of data distributions with two features per class, training a 2-layer convolutional network using empirical risk minimization can lead to learning only one feature for almost all classes while training with a specific instantiation of Mixup succeeds in learning both features for every class. We also show empirically that these theoretical insights extend to the practical settings of image benchmarks modified to have multiple features.

Supervised learning on molecules has incredible potential to be useful in chemistry, drug discovery, and materials science. Luckily, several promising and closely related neural network models invariant to molecular symmetries have already been described in the literature. These models learn a message passing algorithm and aggregation procedure to compute a function of their entire input graph. At this point, the next step is to find a particularly effective variant of this general approach and apply it to chemical prediction benchmarks until we either solve them or reach the limits of the approach. In this paper, we reformulate existing models into a single common framework we call Message Passing Neural Networks (MPNNs) and explore additional novel variations within this framework. Using MPNNs we demonstrate state of the art results on an important molecular property prediction benchmark; these results are strong enough that we believe future work should focus on datasets with larger molecules or more accurate ground truth labels.

Anomaly detection on attributed networks is widely used in online shopping, financial transactions, communication networks, and so on. However, most existing works trying to detect anomalies on attributed networks only consider a single kind of interaction, so they cannot deal with various kinds of interactions on multi-view attributed networks. It remains a challenging task to jointly consider all different kinds of interactions and detect anomalous instances on multi-view attributed networks. In this paper, we propose a graph convolution-based framework, named AnomMAN, to detect Anomaly on Multi-view Attributed Networks. To jointly consider attributes and all kinds of interactions on multi-view attributed networks, we use the attention mechanism to define the importance of all views in networks. Since the low-pass characteristic of graph convolution operation filters out most high-frequency signals (aonmaly signals), it cannot be directly applied to anomaly detection tasks. AnomMAN introduces the graph auto-encoder module to turn the disadvantage of low-pass features into an advantage. According to experiments on real-world datasets, AnomMAN outperforms the state-of-the-art models and two variants of our proposed model.

Learning high-quality feature embeddings efficiently and effectively is critical for the performance of web-scale machine learning systems. A typical model ingests hundreds of features with vocabularies on the order of millions to billions of tokens. The standard approach is to represent each feature value as a d-dimensional embedding, introducing hundreds of billions of parameters for extremely high-cardinality features. This bottleneck has led to substantial progress in alternative embedding algorithms. Many of these methods, however, make the assumption that each feature uses an independent embedding table. This work introduces a simple yet highly effective framework, Feature Multiplexing, where one single representation space is used across many different categorical features. Our theoretical and empirical analysis reveals that multiplexed embeddings can be decomposed into components from each constituent feature, allowing models to distinguish between features. We show that multiplexed representations lead to Pareto-optimal parameter-accuracy tradeoffs for three public benchmark datasets. Further, we propose a highly practical approach called Unified Embedding with three major benefits: simplified feature configuration, strong adaptation to dynamic data distributions, and compatibility with modern hardware. Unified embedding gives significant improvements in offline and online metrics compared to highly competitive baselines across five web-scale search, ads, and recommender systems, where it serves billions of users across the world in industry-leading products.

Graph neural networks (GNNs) have been successfully applied to learning representation on graphs in many relational tasks. Recently, researchers study neural architecture search (NAS) to reduce the dependence of human expertise and explore better GNN architectures, but they over-emphasize entity features and ignore latent relation information concealed in the edges. To solve this problem, we incorporate edge features into graph search space and propose Edge-featured Graph Neural Architecture Search to find the optimal GNN architecture. Specifically, we design rich entity and edge updating operations to learn high-order representations, which convey more generic message passing mechanisms. Moreover, the architecture topology in our search space allows to explore complex feature dependence of both entities and edges, which can be efficiently optimized by differentiable search strategy. Experiments at three graph tasks on six datasets show EGNAS can search better GNNs with higher performance than current state-of-the-art human-designed and searched-based GNNs.

Proposing an effective and flexible matrix to represent a graph is a fundamental challenge that has been explored from multiple perspectives, e.g., filtering in Graph Fourier Transforms. In this work, we develop a novel and general framework which unifies many existing GNN models from the view of parameterized decomposition and filtering, and show how it helps to enhance the flexibility of GNNs while alleviating the smoothness and amplification issues of existing models. Essentially, we show that the extensively studied spectral graph convolutions with learnable polynomial filters are constrained variants of this formulation, and releasing these constraints enables our model to express the desired decomposition and filtering simultaneously. Based on this generalized framework, we develop models that are simple in implementation but achieve significant improvements and computational efficiency on a variety of graph learning tasks. Code is available at https://github.com/qslim/PDF.

Despite its outstanding performance in various graph tasks, vanilla Message Passing Neural Network (MPNN) usually fails in link prediction tasks, as it only uses representations of two individual target nodes and ignores the pairwise relation between them. To capture the pairwise relations, some models add manual features to the input graph and use the output of MPNN to produce pairwise representations. In contrast, others directly use manual features as pairwise representations. Though this simplification avoids applying a GNN to each link individually and thus improves scalability, these models still have much room for performance improvement due to the hand-crafted and unlearnable pairwise features. To upgrade performance while maintaining scalability, we propose Neural Common Neighbor (NCN), which uses learnable pairwise representations. To further boost NCN, we study the unobserved link problem. The incompleteness of the graph is ubiquitous and leads to distribution shifts between the training and test set, loss of common neighbor information, and performance degradation of models. Therefore, we propose two intervention methods: common neighbor completion and target link removal. Combining the two methods with NCN, we propose Neural Common Neighbor with Completion (NCNC). NCN and NCNC outperform recent strong baselines by large margins. NCNC achieves state-of-the-art performance in link prediction tasks. Our code is available at https://github.com/GraphPKU/NeuralCommonNeighbor.

Large Convolutional Network models have recently demonstrated impressive classification performance on the ImageNet benchmark. However there is no clear understanding of why they perform so well, or how they might be improved. In this paper we address both issues. We introduce a novel visualization technique that gives insight into the function of intermediate feature layers and the operation of the classifier. We also perform an ablation study to discover the performance contribution from different model layers. This enables us to find model architectures that outperform Krizhevsky \etal on the ImageNet classification benchmark. We show our ImageNet model generalizes well to other datasets: when the softmax classifier is retrained, it convincingly beats the current state-of-the-art results on Caltech-101 and Caltech-256 datasets.

Recently, graph neural networks (GNNs) have shown prominent performance in semi-supervised node classification by leveraging knowledge from the graph database. However, most existing GNNs follow the homophily assumption, where connected nodes are more likely to exhibit similar feature distributions and the same labels, and such an assumption has proven to be vulnerable in a growing number of practical applications. As a supplement, heterophily reflects dissimilarity in connected nodes, which has gained significant attention in graph learning. To this end, data engineers aim to develop a powerful GNN model that can ensure performance under both homophily and heterophily. Despite numerous attempts, most existing GNNs struggle to achieve optimal node representations due to the constraints of undirected graphs. The neglect of directed edges results in sub-optimal graph representations, thereby hindering the capacity of GNNs. To address this issue, we introduce AMUD, which quantifies the relationship between node profiles and topology from a statistical perspective, offering valuable insights for Adaptively Modeling the natural directed graphs as the Undirected or Directed graph to maximize the benefits from subsequent graph learning. Furthermore, we propose Adaptive Directed Pattern Aggregation (ADPA) as a new directed graph learning paradigm for AMUD. Empirical studies have demonstrated that AMUD guides efficient graph learning. Meanwhile, extensive experiments on 14 benchmark datasets substantiate the impressive performance of ADPA, outperforming baselines by significant margins of 3.96\%.

Autoregressive models, built based on the Next Token Prediction (NTP) paradigm, show great potential in developing a unified framework that integrates both language and vision tasks. In this work, we rethink the NTP for autoregressive image generation and propose a novel Next Patch Prediction (NPP) paradigm. Our key idea is to group and aggregate image tokens into patch tokens containing high information density. With patch tokens as a shorter input sequence, the autoregressive model is trained to predict the next patch, thereby significantly reducing the computational cost. We further propose a multi-scale coarse-to-fine patch grouping strategy that exploits the natural hierarchical property of image data. Experiments on a diverse range of models (100M-1.4B parameters) demonstrate that the next patch prediction paradigm could reduce the training cost to around 0.6 times while improving image generation quality by up to 1.0 FID score on the ImageNet benchmark. We highlight that our method retains the original autoregressive model architecture without introducing additional trainable parameters or specifically designing a custom image tokenizer, thus ensuring flexibility and seamless adaptation to various autoregressive models for visual generation.

Geometric Deep Learning has recently attracted significant interest in a wide range of machine learning fields, including document analysis. The application of Graph Neural Networks (GNNs) has become crucial in various document-related tasks since they can unravel important structural patterns, fundamental in key information extraction processes. Previous works in the literature propose task-driven models and do not take into account the full power of graphs. We propose Doc2Graph, a task-agnostic document understanding framework based on a GNN model, to solve different tasks given different types of documents. We evaluated our approach on two challenging datasets for key information extraction in form understanding, invoice layout analysis and table detection. Our code is freely accessible on https://github.com/andreagemelli/doc2graph.

Knowledge transfer between heterogeneous source and target networks and tasks has received a lot of attention in recent times as large amounts of quality labeled data can be difficult to obtain in many applications. Existing approaches typically constrain the target deep neural network (DNN) feature representations to be close to the source DNNs feature representations, which can be limiting. We, in this paper, propose a novel adversarial multi-armed bandit approach that automatically learns to route source representations to appropriate target representations following which they are combined in meaningful ways to produce accurate target models. We see upwards of 5\% accuracy improvements compared with the state-of-the-art knowledge transfer methods on four benchmark (target) image datasets CUB200, Stanford Dogs, MIT67, and Stanford40 where the source dataset is ImageNet. We qualitatively analyze the goodness of our transfer scheme by showing individual examples of the important features focused on by our target network at different layers compared with the (closest) competitors. We also observe that our improvement over other methods is higher for smaller target datasets making it an effective tool for small data applications that may benefit from transfer learning.

Within the field of causal inference, we consider the problem of estimating heterogeneous treatment effects from data. We propose and validate a novel approach for learning feature representations to aid the estimation of the conditional average treatment effect or CATE. Our method focuses on an intermediate layer in a neural network trained to predict the outcome from the features. In contrast to previous approaches that encourage the distribution of representations to be treatment-invariant, we leverage a genetic algorithm that optimizes over representations useful for predicting the outcome to select those less useful for predicting the treatment. This allows us to retain information within the features useful for predicting outcome even if that information may be related to treatment assignment. We validate our method on synthetic examples and illustrate its use on a real life dataset.

Tensorial neural networks (TNNs) combine the successes of multilinear algebra with those of deep learning to enable extremely efficient reduced-order models of high-dimensional problems. Here, I describe a deep neural network architecture that fuses multiple TNNs into a larger network, intended to solve a broader class of problems than a single TNN. I evaluate this architecture, referred to as a "stacked tensorial neural network" (STNN), on a parametric PDE with three independent variables and three parameters. The three parameters correspond to one PDE coefficient and two quantities describing the domain geometry. The STNN provides an accurate reduced-order description of the solution manifold over a wide range of parameters. There is also evidence of meaningful generalization to parameter values outside its training data. Finally, while the STNN architecture is relatively simple and problem agnostic, it can be regularized to incorporate problem-specific features like symmetries and physical modeling assumptions.