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 tabular deep learning


TabularBench: Benchmarking Adversarial Robustness for Tabular Deep Learning in Real-world Use-cases

Neural Information Processing Systems

While adversarial robustness in computer vision is a mature research field, fewer researchers have tackled the evasion attacks against tabular deep learning, and even fewer investigated robustification mechanisms and reliable defenses. We hypothesize that this lag in the research on tabular adversarial attacks is in part due to the lack of standardized benchmarks. To fill this gap, we propose TabularBench, the first comprehensive benchmark of robustness of tabular deep learning classification models. We evaluated adversarial robustness with CAA, an ensemble of gradient and search attacks which was recently demonstrated as the most effective attack against a tabular model.


An Inductive Bias for Tabular Deep Learning

Neural Information Processing Systems

Deep learning methods have achieved state-of-the-art performance in most modeling tasks involving images, text and audio, however, they typically underperform tree-based methods on tabular data. In this paper, we hypothesize that a significant contributor to this performance gap is the interaction between irregular target functions resulting from the heterogeneous nature of tabular feature spaces, and the well-known tendency of neural networks to learn smooth functions. Utilizing tools from spectral analysis, we show that functions described by tabular datasets often have high irregularity, and that they can be smoothed by transformations such as scaling and ranking in order to improve performance. However, because these transformations tend to lose information or negatively impact the loss landscape during optimization, they need to be rigorously fine-tuned for each feature to achieve performance gains. To address these problems, we propose introducing frequency reduction as an inductive bias. We realize this bias as a neural network layer that promotes learning low-frequency representations of the input features, allowing the network to operate in a space where the target function is more regular. Our proposed method introduces less computational complexity than a fully connected layer, while significantly improving neural network performance, and speeding up its convergence on 14 tabular datasets.


A Performance-Driven Benchmark for Feature Selection in Tabular Deep Learning

Neural Information Processing Systems

Academic tabular benchmarks often contain small sets of curated features. In contrast, data scientists typically collect as many features as possible into their datasets, and even engineer new features from existing ones. To prevent over-fitting in subsequent downstream modeling, practitioners commonly use automated feature selection methods that identify a reduced subset of informative features. Existing benchmarks for tabular feature selection consider classical downstream models, toy synthetic datasets, or do not evaluate feature selectors on the basis of downstream performance. We construct a challenging feature selection benchmark evaluated on downstream neural networks including transformers, using real datasets and multiple methods for generating extraneous features. We also propose an input-gradient-based analogue of LASSO for neural networks that outperforms classical feature selection methods on challenging problems such as selecting from corrupted or second-order features.



On Embeddings for Numerical Features in Tabular Deep Learning

Neural Information Processing Systems

Recently, Transformer-like deep architectures have shown strong performance on tabular data problems. Unlike traditional models, e.g., MLP, these architectures map scalar values of numerical features to high-dimensional embeddings before mixing them in the main backbone. In this work, we argue that embeddings for numerical features are an underexplored degree of freedom in tabular DL, which allows constructing more powerful DL models and competing with gradient boosted decision trees (GBDT) on some GBDT-friendly benchmarks (that is, where GBDT outperforms conventional DL models). We start by describing two conceptually different approaches to building embedding modules: the first one is based on a piecewise linear encoding of scalar values, and the second one utilizes periodic activations. Then, we empirically demonstrate that these two approaches can lead to significant performance boosts compared to the embeddings based on conventional blocks such as linear layers and ReLU activations. Importantly, we also show that embedding numerical features is beneficial for many backbones, not only for Transformers. Specifically, after proper embeddings, simple MLP-like models can perform on par with the attention-based architectures. Overall, we highlight embeddings for numerical features as an important design aspect with good potential for further improvements in tabular DL.


TabularBench: Benchmarking Adversarial Robustness for Tabular Deep Learning in Real-world Use-cases

Neural Information Processing Systems

While adversarial robustness in computer vision is a mature research field, fewer researchers have tackled the evasion attacks against tabular deep learning, and even fewer investigated robustification mechanisms and reliable defenses. We hypothesize that this lag in the research on tabular adversarial attacks is in part due to the lack of standardized benchmarks. To fill this gap, we propose TabularBench, the first comprehensive benchmark of robustness of tabular deep learning classification models. We evaluated adversarial robustness with CAA, an ensemble of gradient and search attacks which was recently demonstrated as the most effective attack against a tabular model. We curated real datasets for each use case, augmented with hundreds of thousands of realistic synthetic inputs, and trained and assessed our models with and without data augmentations.


A Performance-Driven Benchmark for Feature Selection in Tabular Deep Learning

Neural Information Processing Systems

Academic tabular benchmarks often contain small sets of curated features. In contrast, data scientists typically collect as many features as possible into their datasets, and even engineer new features from existing ones. To prevent over-fitting in subsequent downstream modeling, practitioners commonly use automated feature selection methods that identify a reduced subset of informative features. Existing benchmarks for tabular feature selection consider classical downstream models, toy synthetic datasets, or do not evaluate feature selectors on the basis of downstream performance. We construct a challenging feature selection benchmark evaluated on downstream neural networks including transformers, using real datasets and multiple methods for generating extraneous features. We also propose an input-gradient-based analogue of LASSO for neural networks that outperforms classical feature selection methods on challenging problems such as selecting from corrupted or second-order features.


An Inductive Bias for Tabular Deep Learning

Neural Information Processing Systems

Deep learning methods have achieved state-of-the-art performance in most modeling tasks involving images, text and audio, however, they typically underperform tree-based methods on tabular data. In this paper, we hypothesize that a significant contributor to this performance gap is the interaction between irregular target functions resulting from the heterogeneous nature of tabular feature spaces, and the well-known tendency of neural networks to learn smooth functions. Utilizing tools from spectral analysis, we show that functions described by tabular datasets often have high irregularity, and that they can be smoothed by transformations such as scaling and ranking in order to improve performance. However, because these transformations tend to lose information or negatively impact the loss landscape during optimization, they need to be rigorously fine-tuned for each feature to achieve performance gains. To address these problems, we propose introducing frequency reduction as an inductive bias.


A Performance-Driven Benchmark for Feature Selection in Tabular Deep Learning

Neural Information Processing Systems

Academic tabular benchmarks often contain small sets of curated features. In contrast, data scientists typically collect as many features as possible into their datasets, and even engineer new features from existing ones. To prevent over-fitting in subsequent downstream modeling, practitioners commonly use automated feature selection methods that identify a reduced subset of informative features. Existing benchmarks for tabular feature selection consider classical downstream models, toy synthetic datasets, or do not evaluate feature selectors on the basis of downstream performance. We construct a challenging feature selection benchmark evaluated on downstream neural networks including transformers, using real datasets and multiple methods for generating extraneous features. We also propose an input-gradient-based analogue of LASSO for neural networks that outperforms classical feature selection methods on challenging problems such as selecting from corrupted or second-order features.


High dimensional, tabular deep learning with an auxiliary knowledge graph

Neural Information Processing Systems

Machine learning models exhibit strong performance on datasets with abundant labeled samples. Here, our key insight is that there is often abundant, auxiliary domain information describing input features which can be structured as a heterogeneous knowledge graph (KG). We propose PLATO, a method that achieves strong performance on tabular data with d \gg n by using an auxiliary KG describing input features to regularize a multilayer perceptron (MLP). PLATO is based on the inductive bias that two input features corresponding to similar nodes in the auxiliary KG should have similar weight vectors in the MLP's first layer. Across 6 d \gg n datasets, PLATO outperforms 13 state-of-the-art baselines by up to 10.19%.