Self-supervised learning with masked autoencoders has recently gained popularity for its ability to produce effective image or textual representations, which can be applied to various downstream tasks without retraining. However, we observe that the current masked autoencoder models lack good generalization ability on graph data. To tackle this issue, we propose a novel graph masked autoencoder framework called GiGaMAE. Different from existing masked autoencoders that learn node presentations by explicitly reconstructing the original graph components (e.g., features or edges), in this paper, we propose to collaboratively reconstruct informative and integrated latent embeddings. By considering embeddings encompassing graph topology and attribute information as reconstruction targets, our model could capture more generalized and comprehensive knowledge. Furthermore, we introduce a mutual information based reconstruction loss that enables the effective reconstruction of multiple targets. This learning objective allows us to differentiate between the exclusive knowledge learned from a single target and common knowledge shared by multiple targets. We evaluate our method on three downstream tasks with seven datasets as benchmarks. Extensive experiments demonstrate the superiority of GiGaMAE against state-of-the-art baselines. We hope our results will shed light on the design of foundation models on graph-structured data. Our code is available at: //github.com/sycny/GiGaMAE.
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Machine learning classification problems are widespread in bioinformatics, but the technical knowledge required to perform model training, optimization, and inference can prevent researchers from utilizing this technology. This article presents an automated tool for machine learning classification problems to simplify the process of training models and producing results while providing informative visualizations and insights into the data. This tool supports both binary and multiclass classification problems, and it provides access to a variety of models and methods. Synthetic data can be generated within the interface to fill missing values, balance class labels, or generate entirely new datasets. It also provides support for feature evaluation and generates explainability scores to indicate which features influence the output the most. We present CLASSify, an open-source tool for simplifying the user experience of solving classification problems without the need for knowledge of machine learning.
We deal with the combinatorial problem of learning directed acyclic graph (DAG) structure from observational data adhering to a linear structural equation model (SEM). Leveraging advances in differentiable, nonconvex characterizations of acyclicity, recent efforts have advocated a continuous constrained optimization paradigm to efficiently explore the space of DAGs. Most existing methods employ lasso-type score functions to guide this search, which (i) require expensive penalty parameter retuning when the $\textit{unknown}$ SEM noise variances change across problem instances; and (ii) implicitly rely on limiting homoscedasticity assumptions. In this work, we propose a new convex score function for sparsity-aware learning of linear DAGs, which incorporates concomitant estimation of scale and thus effectively decouples the sparsity parameter from the exogenous noise levels. Regularization via a smooth, nonconvex acyclicity penalty term yields CoLiDE ($\textbf{Co}$ncomitant $\textbf{Li}$near $\textbf{D}$AG $\textbf{E}$stimation), a regression-based criterion amenable to efficient gradient computation and closed-form estimation of noise variances in heteroscedastic scenarios. Our algorithm outperforms state-of-the-art methods without incurring added complexity, especially when the DAGs are larger and the noise level profile is heterogeneous. We also find CoLiDE exhibits enhanced stability manifested via reduced standard deviations in several domain-specific metrics, underscoring the robustness of our novel linear DAG estimator.
The past decade has witnessed a plethora of works that leverage the power of visualization (VIS) to interpret machine learning (ML) models. The corresponding research topic, VIS4ML, keeps growing at a fast pace. To better organize the enormous works and shed light on the developing trend of VIS4ML, we provide a systematic review of these works through this survey. Since data quality greatly impacts the performance of ML models, our survey focuses specifically on summarizing VIS4ML works from the data perspective. First, we categorize the common data handled by ML models into five types, explain the unique features of each type, and highlight the corresponding ML models that are good at learning from them. Second, from the large number of VIS4ML works, we tease out six tasks that operate on these types of data (i.e., data-centric tasks) at different stages of the ML pipeline to understand, diagnose, and refine ML models. Lastly, by studying the distribution of 143 surveyed papers across the five data types, six data-centric tasks, and their intersections, we analyze the prospective research directions and envision future research trends.
Graph neural networks (GNNs) are a type of deep learning models that learning over graphs, and have been successfully applied in many domains. Despite the effectiveness of GNNs, it is still challenging for GNNs to efficiently scale to large graphs. As a remedy, distributed computing becomes a promising solution of training large-scale GNNs, since it is able to provide abundant computing resources. However, the dependency of graph structure increases the difficulty of achieving high-efficiency distributed GNN training, which suffers from the massive communication and workload imbalance. In recent years, many efforts have been made on distributed GNN training, and an array of training algorithms and systems have been proposed. Yet, there is a lack of systematic review on the optimization techniques from graph processing to distributed execution. In this survey, we analyze three major challenges in distributed GNN training that are massive feature communication, the loss of model accuracy and workload imbalance. Then we introduce a new taxonomy for the optimization techniques in distributed GNN training that address the above challenges. The new taxonomy classifies existing techniques into four categories that are GNN data partition, GNN batch generation, GNN execution model, and GNN communication protocol.We carefully discuss the techniques in each category. In the end, we summarize existing distributed GNN systems for multi-GPUs, GPU-clusters and CPU-clusters, respectively, and give a discussion about the future direction on scalable GNNs.
Deep learning techniques have led to remarkable breakthroughs in the field of generic object detection and have spawned a lot of scene-understanding tasks in recent years. Scene graph has been the focus of research because of its powerful semantic representation and applications to scene understanding. Scene Graph Generation (SGG) refers to the task of automatically mapping an image into a semantic structural scene graph, which requires the correct labeling of detected objects and their relationships. Although this is a challenging task, the community has proposed a lot of SGG approaches and achieved good results. In this paper, we provide a comprehensive survey of recent achievements in this field brought about by deep learning techniques. We review 138 representative works that cover different input modalities, and systematically summarize existing methods of image-based SGG from the perspective of feature extraction and fusion. We attempt to connect and systematize the existing visual relationship detection methods, to summarize, and interpret the mechanisms and the strategies of SGG in a comprehensive way. Finally, we finish this survey with deep discussions about current existing problems and future research directions. This survey will help readers to develop a better understanding of the current research status and ideas.
Semi-supervised learning on class-imbalanced data, although a realistic problem, has been under studied. While existing semi-supervised learning (SSL) methods are known to perform poorly on minority classes, we find that they still generate high precision pseudo-labels on minority classes. By exploiting this property, in this work, we propose Class-Rebalancing Self-Training (CReST), a simple yet effective framework to improve existing SSL methods on class-imbalanced data. CReST iteratively retrains a baseline SSL model with a labeled set expanded by adding pseudo-labeled samples from an unlabeled set, where pseudo-labeled samples from minority classes are selected more frequently according to an estimated class distribution. We also propose a progressive distribution alignment to adaptively adjust the rebalancing strength dubbed CReST+. We show that CReST and CReST+ improve state-of-the-art SSL algorithms on various class-imbalanced datasets and consistently outperform other popular rebalancing methods.
Image segmentation is a key topic in image processing and computer vision with applications such as scene understanding, medical image analysis, robotic perception, video surveillance, augmented reality, and image compression, among many others. Various algorithms for image segmentation have been developed in the literature. Recently, due to the success of deep learning models in a wide range of vision applications, there has been a substantial amount of works aimed at developing image segmentation approaches using deep learning models. In this survey, we provide a comprehensive review of the literature at the time of this writing, covering a broad spectrum of pioneering works for semantic and instance-level segmentation, including fully convolutional pixel-labeling networks, encoder-decoder architectures, multi-scale and pyramid based approaches, recurrent networks, visual attention models, and generative models in adversarial settings. We investigate the similarity, strengths and challenges of these deep learning models, examine the most widely used datasets, report performances, and discuss promising future research directions in this area.
The design of deep graph models still remains to be investigated and the crucial part is how to explore and exploit the knowledge from different hops of neighbors in an efficient way. In this paper, we propose a novel RNN-like deep graph neural network architecture by incorporating AdaBoost into the computation of network; and the proposed graph convolutional network called AdaGCN~(AdaBoosting Graph Convolutional Network) has the ability to efficiently extract knowledge from high-order neighbors and integrate knowledge from different hops of neighbors into the network in an AdaBoost way. We also present the architectural difference between AdaGCN and existing graph convolutional methods to show the benefits of our proposal. Finally, extensive experiments demonstrate the state-of-the-art prediction performance and the computational advantage of our approach AdaGCN.
Graph convolutional networks (GCNs) have recently become one of the most powerful tools for graph analytics tasks in numerous applications, ranging from social networks and natural language processing to bioinformatics and chemoinformatics, thanks to their ability to capture the complex relationships between concepts. At present, the vast majority of GCNs use a neighborhood aggregation framework to learn a continuous and compact vector, then performing a pooling operation to generalize graph embedding for the classification task. These approaches have two disadvantages in the graph classification task: (1)when only the largest sub-graph structure ($k$-hop neighbor) is used for neighborhood aggregation, a large amount of early-stage information is lost during the graph convolution step; (2) simple average/sum pooling or max pooling utilized, which loses the characteristics of each node and the topology between nodes. In this paper, we propose a novel framework called, dual attention graph convolutional networks (DAGCN) to address these problems. DAGCN automatically learns the importance of neighbors at different hops using a novel attention graph convolution layer, and then employs a second attention component, a self-attention pooling layer, to generalize the graph representation from the various aspects of a matrix graph embedding. The dual attention network is trained in an end-to-end manner for the graph classification task. We compare our model with state-of-the-art graph kernels and other deep learning methods. The experimental results show that our framework not only outperforms other baselines but also achieves a better rate of convergence.
Convolutional Neural Networks (CNNs) have gained significant traction in the field of machine learning, particularly due to their high accuracy in visual recognition. Recent works have pushed the performance of GPU implementations of CNNs to significantly improve their classification and training times. With these improvements, many frameworks have become available for implementing CNNs on both CPUs and GPUs, with no support for FPGA implementations. In this work we present a modified version of the popular CNN framework Caffe, with FPGA support. This allows for classification using CNN models and specialized FPGA implementations with the flexibility of reprogramming the device when necessary, seamless memory transactions between host and device, simple-to-use test benches, and the ability to create pipelined layer implementations. To validate the framework, we use the Xilinx SDAccel environment to implement an FPGA-based Winograd convolution engine and show that the FPGA layer can be used alongside other layers running on a host processor to run several popular CNNs (AlexNet, GoogleNet, VGG A, Overfeat). The results show that our framework achieves 50 GFLOPS across 3x3 convolutions in the benchmarks. This is achieved within a practical framework, which will aid in future development of FPGA-based CNNs.
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