Exploiting sparsity in deep neural networks (DNNs) has been a promising area to meet the growing computation need of modern DNNs. However, in practice, sparse DNN acceleration still faces a key challenge. To minimize the overhead of sparse acceleration, hardware designers have proposed structured sparse hardware support recently, which provides limited flexibility and requires extra model fine-tuning. Moreover, any sparse model fine-tuned for certain structured sparse hardware cannot be accelerated by other structured hardware. To bridge the gap between sparse DNN models and hardware, this paper proposes tensor approximation via structured decomposition (TASD), which leverages the distributive property in linear algebra to turn any sparse tensor into a series of structured sparse tensors. Next, we develop a software framework, TASDER, to accelerate DNNs by searching layer-wise, high-quality structured decomposition for both weight and activation tensors so that they can be accelerated by any systems with structured sparse hardware support. Evaluation results show that, by exploiting prior structured sparse hardware baselines, our method can accelerate off-the-shelf dense and sparse DNNs without fine-tuning and improves energy-delay-product by up to 83% and 74% on average.
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Shape learning, or the ability to leverage shape information, could be a desirable property of convolutional neural networks (CNNs) when target objects have specific shapes. While some research on the topic is emerging, there is no systematic study to conclusively determine whether and under what circumstances CNNs learn shape. Here, we present such a study in the context of segmentation networks where shapes are particularly important. We define shape and propose a new behavioral metric to measure the extent to which a CNN utilizes shape information. We then execute a set of experiments with synthetic and real-world data to progressively uncover under which circumstances CNNs learn shape and what can be done to encourage such behavior. We conclude that (i) CNNs do not learn shape in typical settings but rather rely on other features available to identify the objects of interest, (ii) CNNs can learn shape, but only if the shape is the only feature available to identify the object, (iii) sufficiently large receptive field size relative to the size of target objects is necessary for shape learning; (iv) a limited set of augmentations can encourage shape learning; (v) learning shape is indeed useful in the presence of out-of-distribution data.
Estimating the structure of a Bayesian network, in the form of a directed acyclic graph (DAG), from observational data is a statistically and computationally hard problem with essential applications in areas such as causal discovery. Bayesian approaches are a promising direction for solving this task, as they allow for uncertainty quantification and deal with well-known identifiability issues. From a probabilistic inference perspective, the main challenges are (i) representing distributions over graphs that satisfy the DAG constraint and (ii) estimating a posterior over the underlying combinatorial space. We propose an approach that addresses these challenges by formulating a joint distribution on an augmented space of DAGs and permutations. We carry out posterior estimation via variational inference, where we exploit continuous relaxations of discrete distributions. We show that our approach performs competitively when compared with a wide range of Bayesian and non-Bayesian benchmarks on a range of synthetic and real datasets.
Change point detection (CPD) and anomaly detection (AD) are essential techniques in various fields to identify abrupt changes or abnormal data instances. However, existing methods are often constrained to univariate data, face scalability challenges with large datasets due to computational demands, and experience reduced performance with high-dimensional or intricate data, as well as hidden anomalies. Furthermore, they often lack interpretability and adaptability to domain-specific knowledge, which limits their versatility across different fields. In this work, we propose a deep learning-based CPD/AD method called Probabilistic Predictive Coding (PPC) that jointly learns to encode sequential data to low dimensional latent space representations and to predict the subsequent data representations as well as the corresponding prediction uncertainties. The model parameters are optimized with maximum likelihood estimation by comparing these predictions with the true encodings. At the time of application, the true and predicted encodings are used to determine the probability of conformity, an interpretable and meaningful anomaly score. Furthermore, our approach has linear time complexity, scalability issues are prevented, and the method can easily be adjusted to a wide range of data types and intricate applications. We demonstrate the effectiveness and adaptability of our proposed method across synthetic time series experiments, image data, and real-world magnetic resonance spectroscopic imaging data.
We present a new angle on the expressive power of graph neural networks (GNNs) by studying how the predictions of a GNN probabilistic classifier evolve as we apply it on larger graphs drawn from some random graph model. We show that the output converges to a constant function, which upper-bounds what these classifiers can uniformly express. This strong convergence phenomenon applies to a very wide class of GNNs, including state of the art models, with aggregates including mean and the attention-based mechanism of graph transformers. Our results apply to a broad class of random graph models, including sparse and dense variants of the Erd\H{o}s-R\'enyi model, the stochastic block model, and the Barab\'asi-Albert model. We empirically validate these findings, observing that the convergence phenomenon appears not only on random graphs but also on some real-world graphs.
Hypergraphs are crucial for modeling higher-order interactions in real-world data. Hypergraph neural networks (HNNs) effectively utilise these structures by message passing to generate informative node features for various downstream tasks like node classification. However, the message passing block in existing HNNs typically requires a computationally intensive training process, which limits their practical use. To tackle this challenge, we propose an alternative approach by decoupling the usage of the hypergraph structural information from the model training stage. The proposed model, simplified hypergraph neural network (SHNN), contains a training-free message-passing block that can be precomputed before the training of SHNN, thereby reducing the computational burden. We theoretically support the efficiency and effectiveness of SHNN by showing that: 1) It is more training-efficient compared to existing HNNs; 2) It utilises as much information as existing HNNs for node feature generation; and 3) It is robust against the oversmoothing issue while using long-range interactions. Experiments based on six real-world hypergraph benchmarks in node classification and hyperlink prediction present that, compared to state-of-the-art HNNs, SHNN shows both competitive performance and superior training efficiency. Specifically, on Cora-CA, SHNN achieves the highest node classification accuracy with just 2% training time of the best baseline.
2D-based Industrial Anomaly Detection has been widely discussed, however, multimodal industrial anomaly detection based on 3D point clouds and RGB images still has many untouched fields. Existing multimodal industrial anomaly detection methods directly concatenate the multimodal features, which leads to a strong disturbance between features and harms the detection performance. In this paper, we propose Multi-3D-Memory (M3DM), a novel multimodal anomaly detection method with hybrid fusion scheme: firstly, we design an unsupervised feature fusion with patch-wise contrastive learning to encourage the interaction of different modal features; secondly, we use a decision layer fusion with multiple memory banks to avoid loss of information and additional novelty classifiers to make the final decision. We further propose a point feature alignment operation to better align the point cloud and RGB features. Extensive experiments show that our multimodal industrial anomaly detection model outperforms the state-of-the-art (SOTA) methods on both detection and segmentation precision on MVTec-3D AD dataset. Code is available at //github.com/nomewang/M3DM.
We consider the problem of explaining the predictions of graph neural networks (GNNs), which otherwise are considered as black boxes. Existing methods invariably focus on explaining the importance of graph nodes or edges but ignore the substructures of graphs, which are more intuitive and human-intelligible. In this work, we propose a novel method, known as SubgraphX, to explain GNNs by identifying important subgraphs. Given a trained GNN model and an input graph, our SubgraphX explains its predictions by efficiently exploring different subgraphs with Monte Carlo tree search. To make the tree search more effective, we propose to use Shapley values as a measure of subgraph importance, which can also capture the interactions among different subgraphs. To expedite computations, we propose efficient approximation schemes to compute Shapley values for graph data. Our work represents the first attempt to explain GNNs via identifying subgraphs explicitly and directly. Experimental results show that our SubgraphX achieves significantly improved explanations, while keeping computations at a reasonable level.
The Bayesian paradigm has the potential to solve core issues of deep neural networks such as poor calibration and data inefficiency. Alas, scaling Bayesian inference to large weight spaces often requires restrictive approximations. In this work, we show that it suffices to perform inference over a small subset of model weights in order to obtain accurate predictive posteriors. The other weights are kept as point estimates. This subnetwork inference framework enables us to use expressive, otherwise intractable, posterior approximations over such subsets. In particular, we implement subnetwork linearized Laplace: We first obtain a MAP estimate of all weights and then infer a full-covariance Gaussian posterior over a subnetwork. We propose a subnetwork selection strategy that aims to maximally preserve the model's predictive uncertainty. Empirically, our approach is effective compared to ensembles and less expressive posterior approximations over full networks.
Graph Neural Networks (GNN) is an emerging field for learning on non-Euclidean data. Recently, there has been increased interest in designing GNN that scales to large graphs. Most existing methods use "graph sampling" or "layer-wise sampling" techniques to reduce training time. However, these methods still suffer from degrading performance and scalability problems when applying to graphs with billions of edges. This paper presents GBP, a scalable GNN that utilizes a localized bidirectional propagation process from both the feature vectors and the training/testing nodes. Theoretical analysis shows that GBP is the first method that achieves sub-linear time complexity for both the precomputation and the training phases. An extensive empirical study demonstrates that GBP achieves state-of-the-art performance with significantly less training/testing time. Most notably, GBP can deliver superior performance on a graph with over 60 million nodes and 1.8 billion edges in less than half an hour on a single machine.
Graph neural networks (GNNs) are a popular class of machine learning models whose major advantage is their ability to incorporate a sparse and discrete dependency structure between data points. Unfortunately, GNNs can only be used when such a graph-structure is available. In practice, however, real-world graphs are often noisy and incomplete or might not be available at all. With this work, we propose to jointly learn the graph structure and the parameters of graph convolutional networks (GCNs) by approximately solving a bilevel program that learns a discrete probability distribution on the edges of the graph. This allows one to apply GCNs not only in scenarios where the given graph is incomplete or corrupted but also in those where a graph is not available. We conduct a series of experiments that analyze the behavior of the proposed method and demonstrate that it outperforms related methods by a significant margin.
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