Gradient-boosted decision trees (GBDT) are widely used and highly effective machine learning approach for tabular data modeling. However, their complex structure may lead to low robustness against small covariate perturbation in unseen data. In this study, we apply one-hot encoding to convert a GBDT model into a linear framework, through encoding of each tree leaf to one dummy variable. This allows for the use of linear regression techniques, plus a novel risk decomposition for assessing the robustness of a GBDT model against covariate perturbations. We propose to enhance the robustness of GBDT models by refitting their linear regression forms with $L_1$ or $L_2$ regularization. Theoretical results are obtained about the effect of regularization on the model performance and robustness. It is demonstrated through numerical experiments that the proposed regularization approach can enhance the robustness of the one-hot-encoded GBDT models.
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Data preparation, also called data wrangling, is considered one of the most expensive and time-consuming steps when performing analytics or building machine learning models. Preparing data typically involves collecting and merging data from complex heterogeneous, and often large-scale data sources, such as data lakes. In this paper, we introduce a novel approach toward automatic data wrangling in an attempt to alleviate the effort of end-users, e.g. data analysts, in structuring dynamic views from data lakes in the form of tabular data. We aim to address table augmentation tasks, including row/column population and data imputation. Given a corpus of tables, we propose a retrieval augmented self-trained transformer model. Our self-learning strategy consists in randomly ablating tables from the corpus and training the retrieval-based model to reconstruct the original values or headers given the partial tables as input. We adopt this strategy to first train the dense neural retrieval model encoding table-parts to vectors, and then the end-to-end model trained to perform table augmentation tasks. We test on EntiTables, the standard benchmark for table augmentation, as well as introduce a new benchmark to advance further research: WebTables. Our model consistently and substantially outperforms both supervised statistical methods and the current state-of-the-art transformer-based models.
A growing line of work shows how learned predictions can be used to break through worst-case barriers to improve the running time of an algorithm. However, incorporating predictions into data structures with strong theoretical guarantees remains underdeveloped. This paper takes a step in this direction by showing that predictions can be leveraged in the fundamental online list labeling problem. In the problem, n items arrive over time and must be stored in sorted order in an array of size Theta(n). The array slot of an element is its label and the goal is to maintain sorted order while minimizing the total number of elements moved (i.e., relabeled). We design a new list labeling data structure and bound its performance in two models. In the worst-case learning-augmented model, we give guarantees in terms of the error in the predictions. Our data structure provides strong guarantees: it is optimal for any prediction error and guarantees the best-known worst-case bound even when the predictions are entirely erroneous. We also consider a stochastic error model and bound the performance in terms of the expectation and variance of the error. Finally, the theoretical results are demonstrated empirically. In particular, we show that our data structure has strong performance on real temporal data sets where predictions are constructed from elements that arrived in the past, as is typically done in a practical use case.
Cross-entropy is a widely used loss function in applications. It coincides with the logistic loss applied to the outputs of a neural network, when the softmax is used. But, what guarantees can we rely on when using cross-entropy as a surrogate loss? We present a theoretical analysis of a broad family of loss functions, comp-sum losses, that includes cross-entropy (or logistic loss), generalized cross-entropy, the mean absolute error and other cross-entropy-like loss functions. We give the first $H$-consistency bounds for these loss functions. These are non-asymptotic guarantees that upper bound the zero-one loss estimation error in terms of the estimation error of a surrogate loss, for the specific hypothesis set $H$ used. We further show that our bounds are tight. These bounds depend on quantities called minimizability gaps. To make them more explicit, we give a specific analysis of these gaps for comp-sum losses. We also introduce a new family of loss functions, smooth adversarial comp-sum losses, that are derived from their comp-sum counterparts by adding in a related smooth term. We show that these loss functions are beneficial in the adversarial setting by proving that they admit $H$-consistency bounds. This leads to new adversarial robustness algorithms that consist of minimizing a regularized smooth adversarial comp-sum loss. While our main purpose is a theoretical analysis, we also present an extensive empirical analysis comparing comp-sum losses. We further report the results of a series of experiments demonstrating that our adversarial robustness algorithms outperform the current state-of-the-art, while also achieving a superior non-adversarial accuracy.
Fully Homomorphic Encryption (FHE) is a cryptographic method that guarantees the privacy and security of user data during computation. FHE algorithms can perform unlimited arithmetic computations directly on encrypted data without decrypting it. Thus, even when processed by untrusted systems, confidential data is never exposed. In this work, we develop new techniques for accelerated encrypted execution and demonstrate the significant performance advantages of our approach. Our current focus is the Fully Homomorphic Encryption over the Torus (CGGI) scheme, which is a current state-of-the-art method for evaluating arbitrary functions in the encrypted domain. CGGI represents a computation as a graph of homomorphic logic gates and each individual bit of the plaintext is transformed into a polynomial in the encrypted domain. Arithmetic on such data becomes very expensive: operations on bits become operations on entire polynomials. Therefore, evaluating even relatively simple nonlinear functions, such as a sigmoid, can take thousands of seconds on a single CPU thread. Using our novel framework for end-to-end accelerated encrypted execution called ArctyrEX, developers with no knowledge of complex FHE libraries can simply describe their computation as a C program that is evaluated over $40\times$ faster on an NVIDIA DGX A100 and $6\times$ faster with a single A100 relative to a 256-threaded CPU baseline.
The reproducibility of many experimental results in Deep Reinforcement Learning (RL) is under question. To solve this reproducibility crisis, we propose a theoretically sound methodology to compare multiple Deep RL algorithms. The performance of one execution of a Deep RL algorithm is random so that independent executions are needed to assess it precisely. When comparing several RL algorithms, a major question is how many executions must be made and how can we assure that the results of such a comparison is theoretically sound. Researchers in Deep RL often use less than 5 independent executions to compare algorithms: we claim that this is not enough in general. Moreover, when comparing several algorithms at once, the error of each comparison accumulates and must be taken into account with a multiple tests procedure to preserve low error guarantees. To address this problem in a statistically sound way, we introduce AdaStop, a new statistical test based on multiple group sequential tests. When comparing algorithms, AdaStop adapts the number of executions to stop as early as possible while ensuring that we have enough information to distinguish algorithms that perform better than the others in a statistical significant way. We prove both theoretically and empirically that AdaStop has a low probability of making an error (Family-Wise Error). Finally, we illustrate the effectiveness of AdaStop in multiple use-cases, including toy examples and difficult cases such as Mujoco environments.
Nonparametric density estimation is an unsupervised learning problem. In this work we propose a two-step procedure that casts the density estimation problem in the first step into a supervised regression problem. The advantage is that we can afterwards apply supervised learning methods. Compared to the standard nonparametric regression setting, the proposed procedure creates, however, dependence among the training samples. To derive statistical risk bounds, one can therefore not rely on the well-developed theory for i.i.d. data. To overcome this, we prove an oracle inequality for this specific form of data dependence. As an application, it is shown that under a compositional structure assumption on the underlying density the proposed two-step method achieves faster convergence rates. A simulation study illustrates the finite sample performance.
In this study, we examine numerical approximations for 2nd-order linear-nonlinear differential equations with diverse boundary conditions, followed by the residual corrections of the first approximations. We first obtain numerical results using the Galerkin weighted residual approach with Bernstein polynomials. The generation of residuals is brought on by the fact that our first approximation is computed using numerical methods. To minimize these residuals, we use the compact finite difference scheme of 4th-order convergence to solve the error differential equations in accordance with the error boundary conditions. We also introduce the formulation of the compact finite difference method of fourth-order convergence for the nonlinear BVPs. The improved approximations are produced by adding the error values derived from the approximations of the error differential equation to the weighted residual values. Numerical results are compared to the exact solutions and to the solutions available in the published literature to validate the proposed scheme, and high accuracy is achieved in all cases
Accurate price predictions are essential for market participants in order to optimize their operational schedules and bidding strategies, especially in the current context where electricity prices become more volatile and less predictable using classical approaches. Locational Marginal Pricing (LMP) pricing mechanism is used in many modern power markets, where the traditional approach utilizes optimal power flow (OPF) solvers. However, for large electricity grids this process becomes prohibitively time-consuming and computationally intensive. Machine learning solutions could provide an efficient tool for LMP prediction, especially in energy markets with intermittent sources like renewable energy. The study evaluates the performance of popular machine learning and deep learning models in predicting LMP on multiple electricity grids. The accuracy and robustness of these models in predicting LMP is assessed considering multiple scenarios. The results show that machine learning models can predict LMP 4-5 orders of magnitude faster than traditional OPF solvers with 5-6\% error rate, highlighting the potential of machine learning models in LMP prediction for large-scale power models with the help of hardware solutions like multi-core CPUs and GPUs in modern HPC clusters.
Adaptive sampling and planning in robotic environmental monitoring are challenging when the target environmental process varies over space and time. The underlying environmental dynamics require the planning module to integrate future environmental changes so that action decisions made earlier do not quickly become outdated. We propose a Monte Carlo tree search method which not only well balances the environment exploration and exploitation in space, but also catches up to the temporal environmental dynamics. This is achieved by incorporating multi-objective optimization and a look-ahead model-predictive rewarding mechanism. We show that by allowing the robot to leverage the simulated and predicted spatiotemporal environmental process, the proposed informative planning approach achieves a superior performance after comparing with other baseline methods in terms of the root mean square error of the environment model and the distance to the ground truth.
A mainstream type of current self-supervised learning methods pursues a general-purpose representation that can be well transferred to downstream tasks, typically by optimizing on a given pretext task such as instance discrimination. In this work, we argue that existing pretext tasks inevitably introduce biases into the learned representation, which in turn leads to biased transfer performance on various downstream tasks. To cope with this issue, we propose Maximum Entropy Coding (MEC), a more principled objective that explicitly optimizes on the structure of the representation, so that the learned representation is less biased and thus generalizes better to unseen downstream tasks. Inspired by the principle of maximum entropy in information theory, we hypothesize that a generalizable representation should be the one that admits the maximum entropy among all plausible representations. To make the objective end-to-end trainable, we propose to leverage the minimal coding length in lossy data coding as a computationally tractable surrogate for the entropy, and further derive a scalable reformulation of the objective that allows fast computation. Extensive experiments demonstrate that MEC learns a more generalizable representation than previous methods based on specific pretext tasks. It achieves state-of-the-art performance consistently on various downstream tasks, including not only ImageNet linear probe, but also semi-supervised classification, object detection, instance segmentation, and object tracking. Interestingly, we show that existing batch-wise and feature-wise self-supervised objectives could be seen equivalent to low-order approximations of MEC. Code and pre-trained models are available at //github.com/xinliu20/MEC.
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