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Revisiting Deep Learning Models for Tabular Data

Neural Information Processing Systems

The existing literature on deep learning for tabular data proposes a wide range of novel architectures and reports competitive results on various datasets. However, the proposed models are usually not properly compared to each other and existing works often use different benchmarks and experiment protocols. As a result, it is unclear for both researchers and practitioners what models perform best. Additionally, the field still lacks effective baselines, that is, the easy-to-use models that provide competitive performance across different problems.In this work, we perform an overview of the main families of DL architectures for tabular data and raise the bar of baselines in tabular DL by identifying two simple and powerful deep architectures. The first one is a ResNet-like architecture which turns out to be a strong baseline that is often missing in prior works. The second model is our simple adaptation of the Transformer architecture for tabular data, which outperforms other solutions on most tasks. Both models are compared to many existing architectures on a diverse set of tasks under the same training and tuning protocols. We also compare the best DL models with Gradient Boosted Decision Trees and conclude that there is still no universally superior solution.


Isometric 3D Adversarial Examples in the Physical World

Neural Information Processing Systems

Recently, several attempts have demonstrated that 3D deep learning models are as vulnerable to adversarial example attacks as 2D models. However, these methods are still far from stealthy and suffer from severe performance degradation in the physical world. Although 3D data is highly structured, it is difficult to bound the perturbations with simple metrics in the Euclidean space. In this paper, we propose a novel $\epsilon$-isometric ($\epsilon$-ISO) attack method to generate natural and robust 3D adversarial examples in the physical world by considering the geometric properties of 3D objects and the invariance to physical transformations. For naturalness, we constrain the adversarial example and the original one to be $\epsilon$-isometric by adopting the Gaussian curvature as the surrogate metric under a theoretical analysis. For robustness under physical transformations, we propose a maxima over transformation (MaxOT) method to actively search for the most difficult transformations rather than random ones to make the generated adversarial example more robust in the physical world. Extensive experiments on typical point cloud recognition models validate that our approach can improve the attack success rate and naturalness of the generated 3D adversarial examples than the state-of-the-art attack methods.


Redundant representations help generalization in wide neural networks

Neural Information Processing Systems

Deep neural networks (DNNs) defy the classical bias-variance trade-off: adding parameters to a DNN that interpolates its training data will typically improve its generalization performance. Explaining the mechanism behind this ``benign overfitting'' in deep networks remains an outstanding challenge. Here, we study the last hidden layer representations of various state-of-the-art convolutional neural networks and find that if the last hidden representation is wide enough, its neurons tend to split into groups that carry identical information and differ from each other only by statistically independent noise. The number of such groups increases linearly with the width of the layer, but only if the width is above a critical value. We show that redundant neurons appear only when the training is regularized and the training error is zero.


WaveBound: Dynamic Error Bounds for Stable Time Series Forecasting

Neural Information Processing Systems

Time series forecasting has become a critical task due to its high practicality in real-world applications such as traffic, energy consumption, economics and finance, and disease analysis. Recent deep-learning-based approaches have shown remarkable success in time series forecasting. Nonetheless, due to the dynamics of time series data, deep networks still suffer from unstable training and overfitting. Inconsistent patterns appearing in real-world data lead the model to be biased to a particular pattern, thus limiting the generalization. In this work, we introduce the dynamic error bounds on training loss to address the overfitting issue in time series forecasting. Consequently, we propose a regularization method called WaveBound which estimates the adequate error bounds of training loss for each time step and feature at each iteration. By allowing the model to focus less on unpredictable data, WaveBound stabilizes the training process, thus significantly improving generalization. With the extensive experiments, we show that WaveBound consistently improves upon the existing models in large margins, including the state-of-the-art model.


Towards Automated Circuit Discovery for Mechanistic Interpretability

Neural Information Processing Systems

Through considerable effort and intuition, several recent works have reverse-engineered nontrivial behaviors oftransformer models. This paper systematizes the mechanistic interpretability process they followed. First, researcherschoose a metric and dataset that elicit the desired model behavior. Then, they apply activation patching to find whichabstract neural network units are involved in the behavior. By varying the dataset, metric, and units underinvestigation, researchers can understand the functionality of each component.We automate one of the process' steps: finding the connections between the abstract neural network units that form a circuit. We propose several algorithms and reproduce previous interpretability results to validate them. Forexample, the ACDC algorithm rediscovered 5/5 of the component types in a circuit in GPT-2 Small that computes theGreater-Than operation. ACDC selected 68 of the 32,000 edges in GPT-2 Small, all of which were manually found byprevious work.


Beyond neural scaling laws: beating power law scaling via data pruning

Neural Information Processing Systems

Widely observed neural scaling laws, in which error falls off as a power of the training set size, model size, or both, have driven substantial performance improvements in deep learning. However, these improvements through scaling alone require considerable costs in compute and energy. Here we focus on the scaling of error with dataset size and show how in theory we can break beyond power law scaling and potentially even reduce it to exponential scaling instead if we have access to a high-quality data pruning metric that ranks the order in which training examples should be discarded to achieve any pruned dataset size. We then test this improved scaling prediction with pruned dataset size empirically, and indeed observe better than power law scaling in practice on ResNets trained on CIFAR-10, SVHN, and ImageNet. Next, given the importance of finding high-quality pruning metrics, we perform the first large-scale benchmarking study of ten different data pruning metrics on ImageNet. We find most existing high performing metrics scale poorly to ImageNet, while the best are computationally intensive and require labels for every image. We therefore developed a new simple, cheap and scalable self-supervised pruning metric that demonstrates comparable performance to the best supervised metrics. Overall, our work suggests that the discovery of good data-pruning metrics may provide a viable path forward to substantially improved neural scaling laws, thereby reducing the resource costs of modern deep learning.


Numerically Solving Parametric Families of High-Dimensional Kolmogorov Partial Differential Equations via Deep Learning

Neural Information Processing Systems

We present a deep learning algorithm for the numerical solution of parametric families of high-dimensional linear Kolmogorov partial differential equations (PDEs). Our method is based on reformulating the numerical approximation of a whole family of Kolmogorov PDEs as a single statistical learning problem using the Feynman-Kac formula. Successful numerical experiments are presented, which empirically confirm the functionality and efficiency of our proposed algorithm in the case of heat equations and Black-Scholes option pricing models parametrized by affine-linear coefficient functions. We show that a single deep neural network trained on simulated data is capable of learning the solution functions of an entire family of PDEs on a full space-time region. Most notably, our numerical observations and theoretical results also demonstrate that the proposed method does not suffer from the curse of dimensionality, distinguishing it from almost all standard numerical methods for PDEs.


Bongard-LOGO: A New Benchmark for Human-Level Concept Learning and Reasoning

Neural Information Processing Systems

Humans have an inherent ability to learn novel concepts from only a few samples and generalize these concepts to different situations. Even though today's machine learning models excel with a plethora of training data on standard recognition tasks, a considerable gap exists between machine-level pattern recognition and human-level concept learning. To narrow this gap, the Bongard Problems (BPs) were introduced as an inspirational challenge for visual cognition in intelligent systems. Albeit new advances in representation learning and learning to learn, BPs remain a daunting challenge for modern AI. Inspired by the original one hundred BPs, we propose a new benchmark Bongard-LOGO for human-level concept learning and reasoning. We develop a program-guided generation technique to produce a large set of human-interpretable visual cognition problems in action-oriented LOGO language. Our benchmark captures three core properties of human cognition: 1) context-dependent perception, in which the same object may have disparate interpretations given different contexts; 2) analogy-making perception, in which some meaningful concepts are traded off for other meaningful concepts; and 3) perception with a few samples but infinite vocabulary. In experiments, we show that the state-of-the-art deep learning methods perform substantially worse than human subjects, implying that they fail to capture core human cognition properties. Finally, we discuss research directions towards a general architecture for visual reasoning to tackle this benchmark.


It Has Potential: Gradient-Driven Denoisers for Convergent Solutions to Inverse Problems

Neural Information Processing Systems

In recent years there has been increasing interest in leveraging denoisers for solving general inverse problems. Two leading frameworks are regularization-by-denoising (RED) and plug-and-play priors (PnP) which incorporate explicit likelihood functions with priors induced by denoising algorithms. RED and PnP have shown state-of-the-art performance in diverse imaging tasks when powerful denoisersare used, such as convolutional neural networks (CNNs). However, the study of their convergence remains an active line of research. Recent works derive the convergence of RED and PnP methods by treating CNN denoisers as approximations for maximum a posteriori (MAP) or minimum mean square error (MMSE) estimators.


Greedy Optimization Provably Wins the Lottery: Logarithmic Number of Winning Tickets is Enough

Neural Information Processing Systems

Despite the great success of deep learning, recent works show that large deep neural networks are often highly redundant and can be significantly reduced in size. However, the theoretical question of how much we can prune a neural network given a specified tolerance of accuracy drop is still open. This paper provides one answer to this question by proposing a greedy optimization based pruning method. The proposed method has the guarantee that the discrepancy between the pruned network and the original network decays with exponentially fast rate w.r.t. the size of the pruned network, under weak assumptions that apply for most practical settings. Empirically, our method improves prior arts on pruning various network architectures including ResNet, MobilenetV2/V3 on ImageNet.