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 Deep Learning


Towards Better Generalization of Adaptive Gradient Methods

Neural Information Processing Systems

Adaptive gradient methods such as AdaGrad, RMSprop and Adam have been optimizers of choice for deep learning due to their fast training speed. However, it was recently observed that their generalization performance is often worse than that of SGD for over-parameterized neural networks. While new algorithms such as AdaBound, SWAT, and Padam were proposed to improve the situation, the provided analyses are only committed to optimization bounds for the training objective, leaving critical generalization capacity unexplored. To close this gap, we propose \textit{\textbf{S}table \textbf{A}daptive \textbf{G}radient \textbf{D}escent} (\textsc{SAGD}) for nonconvex optimization which leverages differential privacy to boost the generalization performance of adaptive gradient methods. Theoretical analyses show that \textsc{SAGD} has high-probability convergence to a population stationary point.


Pre-trained Adversarial Perturbations

Neural Information Processing Systems

Self-supervised pre-training has drawn increasing attention in recent years due to its superior performance on numerous downstream tasks after fine-tuning. However, it is well-known that deep learning models lack the robustness to adversarial examples, which can also invoke security issues to pre-trained models, despite being less explored. In this paper, we delve into the robustness of pre-trained models by introducing Pre-trained Adversarial Perturbations (PAPs), which are universal perturbations crafted for the pre-trained models to maintain the effectiveness when attacking fine-tuned ones without any knowledge of the downstream tasks. To this end, we propose a Low-Level Layer Lifting Attack (L4A) method to generate effective PAPs by lifting the neuron activations of low-level layers of the pre-trained models. Equipped with an enhanced noise augmentation strategy, L4A is effective at generating more transferable PAPs against the fine-tuned models. Extensive experiments on typical pre-trained vision models and ten downstream tasks demonstrate that our method improves the attack success rate by a large margin compared to the state-of-the-art methods.


A Large Scale Search Dataset for Unbiased Learning to Rank

Neural Information Processing Systems

The unbiased learning to rank (ULTR) problem has been greatly advanced by recent deep learning techniques and well-designed debias algorithms. However, promising results on the existing benchmark datasets may not be extended to the practical scenario due to some limitations of existing datasets. First, their semantic feature extractions are outdated while state-of-the-art large-scale pre-trained language models like BERT cannot be utilized due to the lack of original text. Second, display features are incomplete; thus in-depth study on ULTR is impossible such as the displayed abstract for analyzing the click necessary bias. Third, synthetic user feedback has been adopted by most existing datasets and real-world user feedback is greatly missing. To overcome these disadvantages, we introduce the Baidu-ULTR dataset. It involves randomly sampled 1.2 billion searching sessions and 7,008 expert annotated queries(397,572 query document pairs).


Learning better with Dale's Law: A Spectral Perspective

Neural Information Processing Systems

Most recurrent neural networks (RNNs) do not include a fundamental constraint of real neural circuits: Dale's Law, which implies that neurons must be excitatory (E) or inhibitory (I). Dale's Law is generally absent from RNNs because simply partitioning a standard network's units into E and I populations impairs learning. However, here we extend a recent feedforward bio-inspired EI network architecture, named Dale's ANNs, to recurrent networks, and demonstrate that good performance is possible while respecting Dale's Law. This begs the question: What makes some forms of EI network learn poorly and others learn well? And, why does the simple approach of incorporating Dale's Law impair learning? Historically the answer was thought to be the sign constraints on EI network parameters, and this was a motivation behind Dale's ANNs. However, here we show the spectral properties of the recurrent weight matrix at initialisation are more impactful on network performance than sign constraints. We find that simple EI partitioning results in a singular value distribution that is multimodal and dispersed, whereas standard RNNs have an unimodal, more clustered singular value distribution, as do recurrent Dale's ANNs. We also show that the spectral properties and performance of partitioned EI networks are worse for small networks with fewer I units, and we present normalised SVD entropy as a measure of spectrum pathology that correlates with performance.


What is being transferred in transfer learning?

Neural Information Processing Systems

One desired capability for machines is the ability to transfer their understanding of one domain to another domain where data is (usually) scarce. Despite ample adaptation of transfer learning in many deep learning applications, we yet do not understand what enables a successful transfer and which part of the network is responsible for that. In this paper, we provide new tools and analysis to address these fundamental questions. Through a series of analysis on transferring to block-shuffled images, we separate the effect of feature reuse from learning high-level statistics of data and show that some benefit of transfer learning comes from the latter. We present that when training from pre-trained weights, the model stays in the same basin in the loss landscape and different instances of such model are similar in feature space and close in parameter space.


A Winning Hand: Compressing Deep Networks Can Improve Out-of-Distribution Robustness

Neural Information Processing Systems

Successful adoption of deep learning (DL) in the wild requires models to be: (1) compact, (2) accurate, and (3) robust to distributional shifts. Unfortunately, efforts towards simultaneously meeting these requirements have mostly been unsuccessful. This raises an important question: Is the inability to create Compact, Accurate, and Robust Deep neural networks (CARDs) fundamental? To answer this question, we perform a large-scale analysis of popular model compression techniques which uncovers several intriguing patterns. Notably, in contrast to traditional pruning approaches (e.g., fine tuning and gradual magnitude pruning), we find that ``lottery ticket-style'' approaches can surprisingly be used to produce CARDs, including binary-weight CARDs. Specifically, we are able to create extremely compact CARDs that, compared to their larger counterparts, have similar test accuracy and matching (or better) robustness---simply by pruning and (optionally) quantizing. Leveraging the compactness of CARDs, we develop a simple domain-adaptive test-time ensembling approach (CARD-Decks) that uses a gating module to dynamically select appropriate CARDs from the CARD-Deck based on their spectral-similarity with test samples.


Efficient Variational Inference for Sparse Deep Learning with Theoretical Guarantee

Neural Information Processing Systems

Sparse deep learning aims to address the challenge of huge storage consumption by deep neural networks, and to recover the sparse structure of target functions. Although tremendous empirical successes have been achieved, most sparse deep learning algorithms are lacking of theoretical supports. On the other hand, another line of works have proposed theoretical frameworks that are computationally infeasible. In this paper, we train sparse deep neural networks with a fully Bayesian treatment under spike-and-slab priors, and develop a set of computationally efficient variational inferences via continuous relaxation of Bernoulli distribution. The variational posterior contraction rate is provided, which justifies the consistency of the proposed variational Bayes method. Interestingly, our empirical results demonstrate that this variational procedure provides uncertainty quantification in terms of Bayesian predictive distribution and is also capable to accomplish consistent variable selection by training a sparse multi-layer neural network.


Combining Recurrent, Convolutional, and Continuous-time Models with Linear State Space Layers

Neural Information Processing Systems

Recurrent neural networks (RNNs), temporal convolutions, and neural differential equations (NDEs) are popular families of deep learning models for time-series data, each with unique strengths and tradeoffs in modeling power and computational efficiency. We introduce a simple sequence model inspired by control systems that generalizes these approaches while addressing their shortcomings. The Linear State-Space Layer (LSSL) maps a sequence $u \mapsto y$ by simply simulating a linear continuous-time state-space representation $\dot{x} = Ax + Bu, y = Cx + Du$. Theoretically, we show that LSSL models are closely related to the three aforementioned families of models and inherit their strengths. For example, they generalize convolutions to continuous-time, explain common RNN heuristics, and share features of NDEs such as time-scale adaptation. We then incorporate and generalize recent theory on continuous-time memorization to introduce a trainable subset of structured matrices $A$ that endow LSSLs with long-range memory.


Why do tree-based models still outperform deep learning on typical tabular data?

Neural Information Processing Systems

While deep learning has enabled tremendous progress on text and image datasets, its superiority on tabular data is not clear. We contribute extensive benchmarks of standard and novel deep learning methods as well as tree-based models such as XGBoost and Random Forests, across a large number of datasets and hyperparameter combinations. We define a standard set of 45 datasets from varied domains with clear characteristics of tabular data and a benchmarking methodology accounting for both fitting models and finding good hyperparameters. Results show that tree-based models remain state-of-the-art on medium-sized data ($\sim$10K samples) even without accounting for their superior speed. To understand this gap, we conduct an empirical investigation into the differing inductive biases of tree-based models and neural networks. This leads to a series of challenges which should guide researchers aiming to build tabular-specific neural network: 1) be robust to uninformative features, 2) preserve the orientation of the data, and 3) be able to easily learn irregular functions. To stimulate research on tabular architectures, we contribute a standard benchmark and raw data for baselines: every point of a 20\,000 compute hours hyperparameter search for each learner.


Benchmarking Deep Inverse Models over time, and the Neural-Adjoint method

Neural Information Processing Systems

We consider the task of solving generic inverse problems, where one wishes to determine the hidden parameters of a natural system that will give rise to a particular set of measurements. Recently many new approaches based upon deep learning have arisen, generating promising results.