The goal of Bayesian deep learning is to provide uncertainty quantification via the posterior distribution. However, exact inference over the weight space is computationally intractable due to the ultra-high dimensions of the neural network. Variational inference (VI) is a promising approach, but naive application on weight space does not scale well and often underperform on predictive accuracy. In this paper, we propose a new adaptive variational Bayesian algorithm to train neural networks on weight space that achieves high predictive accuracy. By showing that there is an equivalence to Stochastic Gradient Hamiltonian Monte Carlo(SGHMC) with preconditioning matrix, we then propose an MCMC within EM algorithm, which incorporates the spike-and-slab prior to capture the sparsity of the neural network. The EM-MCMC algorithm allows us to perform optimization and model pruning within one-shot. We evaluate our methods on CIFAR-10, CIFAR-100 and ImageNet datasets, and demonstrate that our dense model can reach the state-of-the-art performance and our sparse model perform very well compared to previously proposed pruning schemes.
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Zero-shot quantization is a promising approach for developing lightweight deep neural networks when data is inaccessible owing to various reasons, including cost and issues related to privacy. By utilizing the learned parameters (statistics) of FP32-pre-trained models, zero-shot quantization schemes focus on generating synthetic data by minimizing the distance between the learned parameters ($\mu$ and $\sigma$) and distributions of intermediate activations. Subsequently, they distill knowledge from the pre-trained model (\textit{teacher}) to the quantized model (\textit{student}) such that the quantized model can be optimized with the synthetic dataset. In general, zero-shot quantization comprises two major elements: synthesizing datasets and quantizing models. However, thus far, zero-shot quantization has primarily been discussed in the context of quantization-aware training methods, which require task-specific losses and long-term optimization as much as retraining. We thus introduce a post-training quantization scheme for zero-shot quantization that produces high-quality quantized networks within a few hours on even half an hour. Furthermore, we propose a framework called \genie~that generates data suited for post-training quantization. With the data synthesized by \genie, we can produce high-quality quantized models without real datasets, which is comparable to few-shot quantization. We also propose a post-training quantization algorithm to enhance the performance of quantized models. By combining them, we can bridge the gap between zero-shot and few-shot quantization while significantly improving the quantization performance compared to that of existing approaches. In other words, we can obtain a unique state-of-the-art zero-shot quantization approach.
An obstacle to artificial general intelligence is set by the continual learning of multiple tasks of different nature. Recently, various heuristic tricks, both from machine learning and from neuroscience angles, were proposed, but they lack a unified theory ground. Here, we focus on the continual learning in single-layered and multi-layered neural networks of binary weights. A variational Bayesian learning setting is thus proposed, where the neural network is trained in a field-space, rather than the gradient-ill-defined discrete-weight space, and furthermore, the weight uncertainty is naturally incorporated, and modulates the synaptic resources among tasks. From a physics perspective, we translate the variational continual learning into the Franz-Parisi thermodynamic potential framework, where the previous task knowledge acts as a prior and a reference as well. Therefore, the learning performance can be analytically studied with mean-field order parameters, whose predictions coincide with the numerical experiments using stochastic gradient descent methods. Our proposed principled frameworks also connect to elastic weight consolidation, and neuroscience inspired metaplasticity, providing a theory-grounded method for the real-world multi-task learning with deep networks.
Graphs are important data representations for describing objects and their relationships, which appear in a wide diversity of real-world scenarios. As one of a critical problem in this area, graph generation considers learning the distributions of given graphs and generating more novel graphs. Owing to their wide range of applications, generative models for graphs, which have a rich history, however, are traditionally hand-crafted and only capable of modeling a few statistical properties of graphs. Recent advances in deep generative models for graph generation is an important step towards improving the fidelity of generated graphs and paves the way for new kinds of applications. This article provides an extensive overview of the literature in the field of deep generative models for graph generation. Firstly, the formal definition of deep generative models for the graph generation and the preliminary knowledge are provided. Secondly, taxonomies of deep generative models for both unconditional and conditional graph generation are proposed respectively; the existing works of each are compared and analyzed. After that, an overview of the evaluation metrics in this specific domain is provided. Finally, the applications that deep graph generation enables are summarized and five promising future research directions are highlighted.
The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an increasing interest in the adaptive processing of graphs, which led to the development of different neural network-based methodologies. In this thesis, we take a different route and develop a Bayesian Deep Learning framework for graph learning. The dissertation begins with a review of the principles over which most of the methods in the field are built, followed by a study on graph classification reproducibility issues. We then proceed to bridge the basic ideas of deep learning for graphs with the Bayesian world, by building our deep architectures in an incremental fashion. This framework allows us to consider graphs with discrete and continuous edge features, producing unsupervised embeddings rich enough to reach the state of the art on several classification tasks. Our approach is also amenable to a Bayesian nonparametric extension that automatizes the choice of almost all model's hyper-parameters. Two real-world applications demonstrate the efficacy of deep learning for graphs. The first concerns the prediction of information-theoretic quantities for molecular simulations with supervised neural models. After that, we exploit our Bayesian models to solve a malware-classification task while being robust to intra-procedural code obfuscation techniques. We conclude the dissertation with an attempt to blend the best of the neural and Bayesian worlds together. The resulting hybrid model is able to predict multimodal distributions conditioned on input graphs, with the consequent ability to model stochasticity and uncertainty better than most works. Overall, we aim to provide a Bayesian perspective into the articulated research field of deep learning for graphs.
The growing energy and performance costs of deep learning have driven the community to reduce the size of neural networks by selectively pruning components. Similarly to their biological counterparts, sparse networks generalize just as well, if not better than, the original dense networks. Sparsity can reduce the memory footprint of regular networks to fit mobile devices, as well as shorten training time for ever growing networks. In this paper, we survey prior work on sparsity in deep learning and provide an extensive tutorial of sparsification for both inference and training. We describe approaches to remove and add elements of neural networks, different training strategies to achieve model sparsity, and mechanisms to exploit sparsity in practice. Our work distills ideas from more than 300 research papers and provides guidance to practitioners who wish to utilize sparsity today, as well as to researchers whose goal is to push the frontier forward. We include the necessary background on mathematical methods in sparsification, describe phenomena such as early structure adaptation, the intricate relations between sparsity and the training process, and show techniques for achieving acceleration on real hardware. We also define a metric of pruned parameter efficiency that could serve as a baseline for comparison of different sparse networks. We close by speculating on how sparsity can improve future workloads and outline major open problems in the field.
Graph Neural Networks (GNNs) have recently become increasingly popular due to their ability to learn complex systems of relations or interactions arising in a broad spectrum of problems ranging from biology and particle physics to social networks and recommendation systems. Despite the plethora of different models for deep learning on graphs, few approaches have been proposed thus far for dealing with graphs that present some sort of dynamic nature (e.g. evolving features or connectivity over time). In this paper, we present Temporal Graph Networks (TGNs), a generic, efficient framework for deep learning on dynamic graphs represented as sequences of timed events. Thanks to a novel combination of memory modules and graph-based operators, TGNs are able to significantly outperform previous approaches being at the same time more computationally efficient. We furthermore show that several previous models for learning on dynamic graphs can be cast as specific instances of our framework. We perform a detailed ablation study of different components of our framework and devise the best configuration that achieves state-of-the-art performance on several transductive and inductive prediction tasks for dynamic graphs.
A comprehensive artificial intelligence system needs to not only perceive the environment with different `senses' (e.g., seeing and hearing) but also infer the world's conditional (or even causal) relations and corresponding uncertainty. The past decade has seen major advances in many perception tasks such as visual object recognition and speech recognition using deep learning models. For higher-level inference, however, probabilistic graphical models with their Bayesian nature are still more powerful and flexible. In recent years, Bayesian deep learning has emerged as a unified probabilistic framework to tightly integrate deep learning and Bayesian models. In this general framework, the perception of text or images using deep learning can boost the performance of higher-level inference and in turn, the feedback from the inference process is able to enhance the perception of text or images. This survey provides a comprehensive introduction to Bayesian deep learning and reviews its recent applications on recommender systems, topic models, control, etc. Besides, we also discuss the relationship and differences between Bayesian deep learning and other related topics such as Bayesian treatment of neural networks.
Deep learning models on graphs have achieved remarkable performance in various graph analysis tasks, e.g., node classification, link prediction and graph clustering. However, they expose uncertainty and unreliability against the well-designed inputs, i.e., adversarial examples. Accordingly, various studies have emerged for both attack and defense addressed in different graph analysis tasks, leading to the arms race in graph adversarial learning. For instance, the attacker has poisoning and evasion attack, and the defense group correspondingly has preprocessing- and adversarial- based methods. Despite the booming works, there still lacks a unified problem definition and a comprehensive review. To bridge this gap, we investigate and summarize the existing works on graph adversarial learning tasks systemically. Specifically, we survey and unify the existing works w.r.t. attack and defense in graph analysis tasks, and give proper definitions and taxonomies at the same time. Besides, we emphasize the importance of related evaluation metrics, and investigate and summarize them comprehensively. Hopefully, our works can serve as a reference for the relevant researchers, thus providing assistance for their studies. More details of our works are available at //github.com/gitgiter/Graph-Adversarial-Learning.
Deep convolutional neural networks (CNNs) have recently achieved great success in many visual recognition tasks. However, existing deep neural network models are computationally expensive and memory intensive, hindering their deployment in devices with low memory resources or in applications with strict latency requirements. Therefore, a natural thought is to perform model compression and acceleration in deep networks without significantly decreasing the model performance. During the past few years, tremendous progress has been made in this area. In this paper, we survey the recent advanced techniques for compacting and accelerating CNNs model developed. These techniques are roughly categorized into four schemes: parameter pruning and sharing, low-rank factorization, transferred/compact convolutional filters, and knowledge distillation. Methods of parameter pruning and sharing will be described at the beginning, after that the other techniques will be introduced. For each scheme, we provide insightful analysis regarding the performance, related applications, advantages, and drawbacks etc. Then we will go through a few very recent additional successful methods, for example, dynamic capacity networks and stochastic depths networks. After that, we survey the evaluation matrix, the main datasets used for evaluating the model performance and recent benchmarking efforts. Finally, we conclude this paper, discuss remaining challenges and possible directions on this topic.
Recently, ensemble has been applied to deep metric learning to yield state-of-the-art results. Deep metric learning aims to learn deep neural networks for feature embeddings, distances of which satisfy given constraint. In deep metric learning, ensemble takes average of distances learned by multiple learners. As one important aspect of ensemble, the learners should be diverse in their feature embeddings. To this end, we propose an attention-based ensemble, which uses multiple attention masks, so that each learner can attend to different parts of the object. We also propose a divergence loss, which encourages diversity among the learners. The proposed method is applied to the standard benchmarks of deep metric learning and experimental results show that it outperforms the state-of-the-art methods by a significant margin on image retrieval tasks.
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