Bootstrapping has been a primary tool for ensemble and uncertainty quantification in machine learning and statistics. However, due to its nature of multiple training and resampling, bootstrapping deep neural networks is computationally burdensome; hence it has difficulties in practical application to the uncertainty estimation and related tasks. To overcome this computational bottleneck, we propose a novel approach called \emph{Neural Bootstrapper} (NeuBoots), which learns to generate bootstrapped neural networks through single model training. NeuBoots injects the bootstrap weights into the high-level feature layers of the backbone network and outputs the bootstrapped predictions of the target, without additional parameters and the repetitive computations from scratch. We apply NeuBoots to various machine learning tasks related to uncertainty quantification, including prediction calibrations in image classification and semantic segmentation, active learning, and detection of out-of-distribution samples. Our empirical results show that NeuBoots outperforms other bagging based methods under a much lower computational cost without losing the validity of bootstrapping.
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In this work, we present a federated version of the state-of-the-art Neural Collaborative Filtering (NCF) approach for item recommendations. The system, named FedNCF, enables learning without requiring users to disclose or transmit their raw data. Data localization preserves data privacy and complies with regulations such as the GDPR. Although federated learning enables model training without local data dissemination, the transmission of raw clients' updates raises additional privacy issues. To address this challenge, we incorporate a privacy-preserving aggregation method that satisfies the security requirements against an honest but curious entity. We argue theoretically and experimentally that existing aggregation algorithms are inconsistent with latent factor model updates. We propose an enhancement by decomposing the aggregation step into matrix factorization and neural network-based averaging. Experimental validation shows that FedNCF achieves comparable recommendation quality to the original NCF system, while our proposed aggregation leads to faster convergence compared to existing methods. We investigate the effectiveness of the federated recommender system and evaluate the privacy-preserving mechanism in terms of computational cost.
Bayesian neural networks have successfully designed and optimized a robust neural network model in many application problems, including uncertainty quantification. However, with its recent success, information-theoretic understanding about the Bayesian neural network is still at an early stage. Mutual information is an example of an uncertainty measure in a Bayesian neural network to quantify epistemic uncertainty. Still, no analytic formula is known to describe it, one of the fundamental information measures to understand the Bayesian deep learning framework. In this paper, we derive the analytical formula of the mutual information between model parameters and the predictive output by leveraging the notion of the point process entropy. Then, as an application, we discuss the parameter estimation of the Dirichlet distribution and show its practical application in the active learning uncertainty measures by demonstrating that our analytical formula can improve the performance of active learning further in practice.
This paper proposes to test the number of common factors in high-dimensional factor models by bootstrap. We provide asymptotic distributions for the eigenvalues of bootstrapped sample covariance matrix under mild conditions. The spiked eigenvalues converge weakly to Gaussian limits after proper scaling and centralization. The limiting distribution of the largest non-spiked eigenvalue is mainly determined by order statistics of bootstrap resampling weights, and follows extreme value distribution. We propose two testing schemes based on the disparate behavior of the spiked and non-spiked eigenvalues. The testing procedures can perform reliably with weak factors, cross-sectionally and serially correlated errors. Our technical proofs contribute to random matrix theory with convexly decaying density and unbounded support, or with general elliptical distributions.
Great advances in deep neural networks (DNNs) have led to state-of-the-art performance on a wide range of tasks. However, recent studies have shown that DNNs are vulnerable to adversarial attacks, which have brought great concerns when deploying these models to safety-critical applications such as autonomous driving. Different defense approaches have been proposed against adversarial attacks, including: a) empirical defenses, which usually can be adaptively attacked again without providing robustness certification; and b) certifiably robust approaches which consist of robustness verification providing the lower bound of robust accuracy against any attacks under certain conditions and corresponding robust training approaches. In this paper, we systematize the certifiably robust approaches and related practical and theoretical implications and findings. We also provide the first comprehensive benchmark on existing robustness verification and training approaches on different datasets. In particular, we 1) provide a taxonomy for the robustness verification and training approaches, as well as summarize the methodologies for representative algorithms, 2) reveal the characteristics, strengths, limitations, and fundamental connections among these approaches, 3) discuss current research progresses, theoretical barriers, main challenges, and future directions for certifiably robust approaches for DNNs, and 4) provide an open-sourced unified platform to evaluate over 20 representative certifiably robust approaches for a wide range of DNNs.
Heterogeneous tabular data are the most commonly used form of data and are essential for numerous critical and computationally demanding applications. On homogeneous data sets, deep neural networks have repeatedly shown excellent performance and have therefore been widely adopted. However, their application to modeling tabular data (inference or generation) remains highly challenging. This work provides an overview of state-of-the-art deep learning methods for tabular data. We start by categorizing them into three groups: data transformations, specialized architectures, and regularization models. We then provide a comprehensive overview of the main approaches in each group. A discussion of deep learning approaches for generating tabular data is complemented by strategies for explaining deep models on tabular data. Our primary contribution is to address the main research streams and existing methodologies in this area, while highlighting relevant challenges and open research questions. To the best of our knowledge, this is the first in-depth look at deep learning approaches for tabular data. This work can serve as a valuable starting point and guide for researchers and practitioners interested in deep learning with tabular data.
Conversation generation as a challenging task in Natural Language Generation (NLG) has been increasingly attracting attention over the last years. A number of recent works adopted sequence-to-sequence structures along with external knowledge, which successfully enhanced the quality of generated conversations. Nevertheless, few works utilized the knowledge extracted from similar conversations for utterance generation. Taking conversations in customer service and court debate domains as examples, it is evident that essential entities/phrases, as well as their associated logic and inter-relationships can be extracted and borrowed from similar conversation instances. Such information could provide useful signals for improving conversation generation. In this paper, we propose a novel reading and memory framework called Deep Reading Memory Network (DRMN) which is capable of remembering useful information of similar conversations for improving utterance generation. We apply our model to two large-scale conversation datasets of justice and e-commerce fields. Experiments prove that the proposed model outperforms the state-of-the-art approaches.
The posterior over Bayesian neural network (BNN) parameters is extremely high-dimensional and non-convex. For computational reasons, researchers approximate this posterior using inexpensive mini-batch methods such as mean-field variational inference or stochastic-gradient Markov chain Monte Carlo (SGMCMC). To investigate foundational questions in Bayesian deep learning, we instead use full-batch Hamiltonian Monte Carlo (HMC) on modern architectures. We show that (1) BNNs can achieve significant performance gains over standard training and deep ensembles; (2) a single long HMC chain can provide a comparable representation of the posterior to multiple shorter chains; (3) in contrast to recent studies, we find posterior tempering is not needed for near-optimal performance, with little evidence for a "cold posterior" effect, which we show is largely an artifact of data augmentation; (4) BMA performance is robust to the choice of prior scale, and relatively similar for diagonal Gaussian, mixture of Gaussian, and logistic priors; (5) Bayesian neural networks show surprisingly poor generalization under domain shift; (6) while cheaper alternatives such as deep ensembles and SGMCMC methods can provide good generalization, they provide distinct predictive distributions from HMC. Notably, deep ensemble predictive distributions are similarly close to HMC as standard SGLD, and closer than standard variational inference.
We propose a Bayesian convolutional neural network built upon Bayes by Backprop and elaborate how this known method can serve as the fundamental construct of our novel, reliable variational inference method for convolutional neural networks. First, we show how Bayes by Backprop can be applied to convolutional layers where weights in filters have probability distributions instead of point-estimates; and second, how our proposed framework leads with various network architectures to performances comparable to convolutional neural networks with point-estimates weights. In the past, Bayes by Backprop has been successfully utilised in feedforward and recurrent neural networks, but not in convolutional ones. This work symbolises the extension of the group of Bayesian neural networks which encompasses all three aforementioned types of network architectures now.
This work focuses on combining nonparametric topic models with Auto-Encoding Variational Bayes (AEVB). Specifically, we first propose iTM-VAE, where the topics are treated as trainable parameters and the document-specific topic proportions are obtained by a stick-breaking construction. The inference of iTM-VAE is modeled by neural networks such that it can be computed in a simple feed-forward manner. We also describe how to introduce a hyper-prior into iTM-VAE so as to model the uncertainty of the prior parameter. Actually, the hyper-prior technique is quite general and we show that it can be applied to other AEVB based models to alleviate the {\it collapse-to-prior} problem elegantly. Moreover, we also propose HiTM-VAE, where the document-specific topic distributions are generated in a hierarchical manner. HiTM-VAE is even more flexible and can generate topic distributions with better variability. Experimental results on 20News and Reuters RCV1-V2 datasets show that the proposed models outperform the state-of-the-art baselines significantly. The advantages of the hyper-prior technique and the hierarchical model construction are also confirmed by experiments.
A fundamental computation for statistical inference and accurate decision-making is to compute the marginal probabilities or most probable states of task-relevant variables. Probabilistic graphical models can efficiently represent the structure of such complex data, but performing these inferences is generally difficult. Message-passing algorithms, such as belief propagation, are a natural way to disseminate evidence amongst correlated variables while exploiting the graph structure, but these algorithms can struggle when the conditional dependency graphs contain loops. Here we use Graph Neural Networks (GNNs) to learn a message-passing algorithm that solves these inference tasks. We first show that the architecture of GNNs is well-matched to inference tasks. We then demonstrate the efficacy of this inference approach by training GNNs on a collection of graphical models and showing that they substantially outperform belief propagation on loopy graphs. Our message-passing algorithms generalize out of the training set to larger graphs and graphs with different structure.
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