Neural architecture search (NAS) has gained immense popularity owing to its ability to automate neural architecture design. A number of training-free metrics are recently proposed to realize NAS without training, hence making NAS more scalable. Despite their competitive empirical performances, a unified theoretical understanding of these training-free metrics is lacking. As a consequence, (a) the relationships among these metrics are unclear, (b) there is no theoretical interpretation for their empirical performances, and (c) there may exist untapped potential in existing training-free NAS, which probably can be unveiled through a unified theoretical understanding. To this end, this paper presents a unified theoretical analysis of gradient-based training-free NAS, which allows us to (a) theoretically study their relationships, (b) theoretically guarantee their generalization performances, and (c) exploit our unified theoretical understanding to develop a novel framework named hybrid NAS (HNAS) which consistently boosts training-free NAS in a principled way. Remarkably, HNAS can enjoy the advantages of both training-free (i.e., the superior search efficiency) and training-based (i.e., the remarkable search effectiveness) NAS, which we have demonstrated through extensive experiments.
Stanford University（斯坦福大学）；Harvard Medical School（哈佛医学院）
We present Natural Gradient Boosting (NGBoost), an algorithm for generic probabilistic prediction via gradient boosting. Typical regression models return a point estimate, conditional on covariates, but probabilistic regression models output a full probability distribution over the outcome space, conditional on the covariates. This allows for predictive uncertainty estimation -- crucial in applications like healthcare and weather forecasting. NGBoost generalizes gradient boosting to probabilistic regression by treating the parameters of the conditional distribution as targets for a multiparame…
The University of California, San Diego（加州大学圣地亚哥分校）
Natural gradient has been recently introduced to the field of boosting to enable the generic probabilistic predication capability. Natural gradient boosting shows promising performance improvements on small datasets due to better training dynamics, but it suffers from slow training speed overhead especially for large datasets. We present a replication study of NGBoost(Duan et al., 2019) training that carefully examines the impacts of key hyper-parameters under the circumstance of best-first decision tree learning. We find that with the regularization of leaf number clipping, the performance of…
In this work, we show that saturating output activation functions, such as the softmax, impede learning on a number of standard classification tasks. Moreover, we present results showing that the utility of softmax does not stem from the normalization, as some have speculated. In fact, the normalization makes things worse. Rather, the advantage is in the exponentiation of error gradients. This exponential gradient boosting is shown to speed up convergence and improve generalization. To this end, we demonstrate faster convergence and better performance on diverse classification tasks: image cla…
AttnBoost: Retail Supply Chain Sales Insights via Gradient Boosting Perspective
Nanyang Technological University（南洋理工大学）；Washington State University（华盛顿州立大学）；Southern Methodist University（南方 Methodist 大学）；Georgetown University（乔治城大学）；University of Nebraska-Lincoln（内布拉斯加大学林肯分校）；China Construction Bank（中国建设银行）
As an adaptive, interpretable, robust, and accurate meta-algorithm for arbitrary differentiable loss functions, gradient tree boosting is one of the most popular machine learning techniques, though the computational expensiveness severely limits its usage. Stochastic gradient boosting could be adopted to accelerates gradient boosting by uniformly sampling training instances, but its estimator could introduce a high variance. This situation arises motivation for us to optimize gradient tree boosting. We combine gradient tree boosting with importance sampling, which achieves better performance b…
Point Zero One Technology（Point Zero One科技公司）；Fordham University（福特汉姆大学）；Imperial College London（帝国理工学院）；Massachusetts Institute of Technology（麻省理工学院）
In this survey, we discuss several different types of gradient boosting algorithms and illustrate their mathematical frameworks in detail: 1. introduction of gradient boosting leads to 2. objective function optimization, 3. loss function estimations, and 4. model constructions. 5. application of boosting in ranking.
Yandex；Moscow Institute of Physics and Technology（莫斯科物理技术学院）；HSE University（俄罗斯国立高等经济学院）
This paper introduces Stochastic Gradient Langevin Boosting (SGLB) - a powerful and efficient machine learning framework that may deal with a wide range of loss functions and has provable generalization guarantees. The method is based on a special form of the Langevin diffusion equation specifically designed for gradient boosting. This allows us to theoretically guarantee the global convergence even for multimodal loss functions, while standard gradient boosting algorithms can guarantee only local optimum. We also empirically show that SGLB outperforms classic gradient boosting when applied to…
Lucerne University of Applied Sciences and Arts（卢塞恩应用科学与艺术大学）
Boosting algorithms are frequently used in applied data science and in research. To date, the distinction between boosting with either gradient descent or second-order Newton updates is often not made in both applied and methodological research, and it is thus implicitly assumed that the difference is irrelevant. The goal of this article is to clarify this situation. In particular, we present gradient and Newton boosting, as well as a hybrid variant of the two, in a unified framework. We compare these boosting algorithms with trees as base learners using various datasets and loss functions. Ou…
In this paper we present CatBoost, a new open-sourced gradient boosting library that successfully handles categorical features and outperforms existing publicly available implementations of gradient boosting in terms of quality on a set of popular publicly available datasets. The library has a GPU implementation of learning algorithm and a CPU implementation of scoring algorithm, which are significantly faster than other gradient boosting libraries on ensembles of similar sizes.
Yandex；HSE University（高等经济大学）；Moscow Institute of Physics and Technology（莫斯科物理技术学院）
For many practical, high-risk applications, it is essential to quantify uncertainty in a model's predictions to avoid costly mistakes. While predictive uncertainty is widely studied for neural networks, the topic seems to be under-explored for models based on gradient boosting. However, gradient boosting often achieves state-of-the-art results on tabular data. This work examines a probabilistic ensemble-based framework for deriving uncertainty estimates in the predictions of gradient boosting classification and regression models. We conducted experiments on a range of synthetic and real datase…
Peter the Great St.Petersburg Polytechnic University（彼得大帝圣彼得堡理工大学）
The gradient boosting machine is a powerful ensemble-based machine learning method for solving regression problems. However, one of the difficulties of its using is a possible discontinuity of the regression function, which arises when regions of training data are not densely covered by training points. In order to overcome this difficulty and to reduce the computational complexity of the gradient boosting machine, we propose to apply the partially randomized trees which can be regarded as a special case of the extremely randomized trees applied to the gradient boosting. The gradient boosting …
Gradient tree boosting is a prediction algorithm that sequentially produces a model in the form of linear combinations of decision trees, by solving an infinite-dimensional optimization problem. We combine gradient boosting and Nesterov's accelerated descent to design a new algorithm, which we call AGB (for Accelerated Gradient Boosting). Substantial numerical evidence is provided on both synthetic and real-life data sets to assess the excellent performance of the method in a large variety of prediction problems. It is empirically shown that AGB is much less sensitive to the shrinkage paramete…
Fair classification has become an important topic in machine learning research. While most bias mitigation strategies focus on neural networks, we noticed a lack of work on fair classifiers based on decision trees even though they have proven very efficient. In an up-to-date comparison of state-of-the-art classification algorithms in tabular data, tree boosting outperforms deep learning. For this reason, we have developed a novel approach of adversarial gradient tree boosting. The objective of the algorithm is to predict the output $Y$ with gradient tree boosting while minimizing the ability o…
Peter the Great St.Petersburg Polytechnic University（圣彼得堡彼得大帝理工大学）
The gradient boosting machine is one of the powerful tools for solving regression problems. In order to cope with its shortcomings, an approach for constructing ensembles of gradient boosting models is proposed. The main idea behind the approach is to use the stacking algorithm in order to learn a second-level meta-model which can be regarded as a model for implementing various ensembles of gradient boosting models. First, the linear regression of the gradient boosting models is considered as a simplest realization of the meta-model under condition that the linear model is differentiable with …
Accurately predicting customer churn using large scale time-series data is a common problem facing many business domains. The creation of model features across various time windows for training and testing can be particularly challenging due to temporal issues common to time-series data. In this paper, we will explore the application of extreme gradient boosting (XGBoost) on a customer dataset with a wide-variety of temporal features in order to create a highly-accurate customer churn model. In particular, we describe an effective method for handling temporally sensitive feature engineering. T…
We extend the theory of boosting for regression problems to the online learning setting. Generalizing from the batch setting for boosting, the notion of a weak learning algorithm is modeled as an online learning algorithm with linear loss functions that competes with a base class of regression functions, while a strong learning algorithm is an online learning algorithm with convex loss functions that competes with a larger class of regression functions. Our main result is an online gradient boosting algorithm which converts a weak online learning algorithm into a strong one where the larger cl…
Boosting is a popular ensemble algorithm that generates more powerful learners by linearly combining base models from a simpler hypothesis class. In this work, we investigate the problem of adapting batch gradient boosting for minimizing convex loss functions to online setting where the loss at each iteration is i.i.d sampled from an unknown distribution. To generalize from batch to online, we first introduce the definition of online weak learning edge with which for strongly convex and smooth loss functions, we present an algorithm, Streaming Gradient Boosting (SGB) with exponential shrinkage…
Yale University（耶鲁大学）；Renmin University of China（中国人民大学）；JD Technology Group（京东科技集团）
Federated learning, conducive to solving data privacy and security problems, has attracted increasing attention recently. However, the existing federated boosting model sequentially builds a decision tree model with the weak base learner, resulting in redundant boosting steps and high interactive communication costs. In contrast, the federated bagging model saves time by building multi-decision trees in parallel, but it suffers from performance loss. With the aim of obtaining an outstanding performance with less time cost, we propose a novel model in a vertically federated setting termed as Fe…
This paper shows that gradient boosting based on symmetric decision trees can be equivalently reformulated as a kernel method that converges to the solution of a certain Kernel Ridge Regression problem. Thus, we obtain the convergence to a Gaussian Process' posterior mean, which, in turn, allows us to easily transform gradient boosting into a sampler from the posterior to provide better knowledge uncertainty estimates through Monte-Carlo estimation of the posterior variance. We show that the proposed sampler allows for better knowledge uncertainty estimates leading to improved out-of-domain de…
A novel gradient boosting framework is proposed where shallow neural networks are employed as ``weak learners''. General loss functions are considered under this unified framework with specific examples presented for classification, regression, and learning to rank. A fully corrective step is incorporated to remedy the pitfall of greedy function approximation of classic gradient boosting decision tree. The proposed model rendered outperforming results against state-of-the-art boosting methods in all three tasks on multiple datasets. An ablation study is performed to shed light on the effect of…
In this paper, we propose a gradient boosting algorithm called \textit{adaptive boosting histogram transform} (\textit{ABHT}) for regression to illustrate the local adaptivity of gradient boosting algorithms in histogram transform ensemble learning. From the theoretical perspective, when the target function lies in a locally Hölder continuous space, we show that our ABHT can filter out the regions with different orders of smoothness. Consequently, we are able to prove that the upper bound of the convergence rates of ABHT is strictly smaller than the lower bound of \textit{parallel ensemble his…
Time series data constitutes a distinct and growing problem in machine learning. As the corpus of time series data grows larger, deep models that simultaneously learn features and classify with these features can be intractable or suboptimal. In this paper, we present feature learning via long short term memory (LSTM) networks and prediction via gradient boosting trees (XGB). Focusing on the consequential setting of electronic health record data, we predict the occurrence of hypoxemia five minutes into the future based on past features. We make two observations: 1) long short term memory netwo…
In this paper we introduce a significant improvement to the popular tree-based Stochastic Gradient Boosting algorithm using a wavelet decomposition of the trees. This approach is based on harmonic analysis and approximation theoretical elements, and as we show through extensive experimentation, our wavelet based method generally outperforms existing methods, particularly in difficult scenarios of class unbalance and mislabeling in the training data.
Sogang University（西江大学）；University of Pennsylvania（宾夕法尼亚大学）；Princeton University（普林斯顿大学）
Minimizing the inclusive Kullback-Leibler (KL) divergence with stochastic gradient descent (SGD) is challenging since its gradient is defined as an integral over the posterior. Recently, multiple methods have been proposed to run SGD with biased gradient estimates obtained from a Markov chain. This paper provides the first non-asymptotic convergence analysis of these methods by establishing their mixing rate and gradient variance. To do this, we demonstrate that these methods-which we collectively refer to as Markov chain score ascent (MCSA) methods-can be cast as special cases of the Markov c…
GPU-based algorithms have greatly accelerated many machine learning methods; however, GPU memory is typically smaller than main memory, limiting the size of training data. In this paper, we describe an out-of-core GPU gradient boosting algorithm implemented in the XGBoost library. We show that much larger datasets can fit on a given GPU, without degrading model accuracy or training time. To the best of our knowledge, this is the first out-of-core GPU implementation of gradient boosting. Similar approaches can be applied to other machine learning algorithms
Sinovation Ventures AI Institute（创新工场人工智能研究院）；Baiont Technology（百融科技）；Nanjing University（南京大学）
Gradient Boosting Machine has proven to be one successful function approximator and has been widely used in a variety of areas. However, since the training procedure of each base learner has to take the sequential order, it is infeasible to parallelize the training process among base learners for speed-up. In addition, under online or incremental learning settings, GBMs achieved sub-optimal performance due to the fact that the previously trained base learners can not adapt with the environment once trained. In this work, we propose the soft Gradient Boosting Machine (sGBM) by wiring multiple d…
Real-time traffic state estimation is essential for intelligent transportation systems. The NeurIPS 2022 Traffic4cast challenge provides an excellent testbed for benchmarking short-term traffic state estimation approaches. This technical report describes our solution to this challenge. In particular, we present an efficient two-stage gradient boosting framework for short-term traffic state estimation. The first stage derives the month, day of the week, and time slot index based on the sparse loop counter data, and the second stage predicts the future traffic states based on the sparse loop cou…
Componentwise boosting (CWB), also known as model-based boosting, is a variant of gradient boosting that builds on additive models as base learners to ensure interpretability. CWB is thus often used in research areas where models are employed as tools to explain relationships in data. One downside of CWB is its computational complexity in terms of memory and runtime. In this paper, we propose two techniques to overcome these issues without losing the properties of CWB: feature discretization of numerical features and incorporating Nesterov momentum into functional gradient descent. As the latt…
We present a unified probabilistic gradient boosting framework for regression tasks that models and predicts the entire conditional distribution of a univariate response variable as a function of covariates. Our likelihood-based approach allows us to either model all conditional moments of a parametric distribution, or to approximate the conditional cumulative distribution function via Normalizing Flows. As underlying computational backbones, our framework is based on XGBoost and LightGBM. Modelling and predicting the entire conditional distribution greatly enhances existing tree-based gradien…
University of Michigan（密歇根大学）；ShanghaiTech University（上海科技大学）；IBM Research（IBM研究院）；MIT-IBM Watson AI Lab（MIT-IBM沃森人工智能实验室）
We consider the task of enforcing individual fairness in gradient boosting. Gradient boosting is a popular method for machine learning from tabular data, which arise often in applications where algorithmic fairness is a concern. At a high level, our approach is a functional gradient descent on a (distributionally) robust loss function that encodes our intuition of algorithmic fairness for the ML task at hand. Unlike prior approaches to individual fairness that only work with smooth ML models, our approach also works with non-smooth models such as decision trees. We show that our algorithm conv…
Université de Paris（巴黎大学）；Sorbonne Université（索邦大学）；CNRS（法国国家科学研究中心）
Gradient boosting is a prediction method that iteratively combines weak learners to produce a complex and accurate model. From an optimization point of view, the learning procedure of gradient boosting mimics a gradient descent on a functional variable. This paper proposes to build upon the proximal point algorithm, when the empirical risk to minimize is not differentiable, in order to introduce a novel boosting approach, called proximal boosting. It comes with a companion algorithm inspired by [1] and called residual proximal boosting, which is aimed at better controlling the approximation er…
With the huge spike in the COVID-19 cases across the globe and reverse transcriptase-polymerase chain reaction (RT-PCR) test remains a key component for rapid and accurate detection of severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2). In recent months there has been an acute shortage of medical supplies in developing countries, especially a lack of RT-PCR testing resulting in delayed patient care and high infection rates. We present a gradient-boosting machine model that predicts the diagnostics result of SARS-CoV- 2 in an RT-PCR test by utilizing eight binary features. We used the…
In the pharmaceutical industry, where it is common to generate many QSAR models with large numbers of molecules and descriptors, the best QSAR methods are those that can generate the most accurate predictions but that are also insensitive to hyperparameters and are computationally efficient. Here we compare Light Gradient Boosting Machine (LightGBM) to random forest, single-task deep neural nets, and Extreme Gradient Boosting (XGBoost) on 30 in-house data sets. While any boosting algorithm has many adjustable hyperparameters, we can define a set of standard hyperparameters at which LightGBM ma…
Cardiovascular diseases (CVDs) are one of the most common chronic illnesses that affect peoples health. Early detection of CVDs can reduce mortality rates by preventing or reducing the severity of the disease. Machine learning algorithms are a promising method for identifying risk factors. This paper proposes a proposed recursive feature elimination-based gradient boosting (RFE-GB) algorithm in order to obtain accurate heart disease prediction. The patients health record with important CVD features has been analyzed for the evaluation of the results. Several other machine learning methods were…
Skolkovo Institute of Science and Technology（斯科尔科沃科学技术学院）；Criteo AI（科韬人工智能）
Prediction of protein-ligand (PL) binding affinity remains the key to drug discovery. Popular approaches in recent years involve graph neural networks (GNNs), which are used to learn the topology and geometry of PL complexes. However, GNNs are computationally heavy and have poor scalability to graph sizes. On the other hand, traditional machine learning (ML) approaches, such as gradient-boosted decision trees (GBDTs), are lightweight yet extremely efficient for tabular data. We propose to use PL interaction features along with PL graph-level features in GBDT. We show that this combination outp…
Gradient boosting methods based on Structured Categorical Decision Trees (SCDT) have been demonstrated to outperform numerical and one-hot-encodings on problems where the categorical variable has a known underlying structure. However, the enumeration procedure in the SCDT is infeasible except for categorical variables with low or moderate cardinality. We propose and implement two methods to overcome the computational obstacles and efficiently perform Gradient Boosting on complex structured categorical variables. The resulting package, called StructureBoost, is shown to outperform established p…
Université Bourgogne Franche-Comté（勃艮第-弗朗什孔泰大学）；Laboratoire de Mathématiques de Besançon（贝桑松数学实验室）；CNRS（法国国家科学研究中心）
We define infinitesimal gradient boosting as a limit of the popular tree-based gradient boosting algorithm from machine learning. The limit is considered in the vanishing-learning-rate asymptotic, that is when the learning rate tends to zero and the number of gradient trees is rescaled accordingly. For this purpose, we introduce a new class of randomized regression trees bridging totally randomized trees and Extra Trees and using a softmax distribution for binary splitting. Our main result is the convergence of the associated stochastic algorithm and the characterization of the limiting proced…
Universiti Teknologi Malaysia（马来西亚理工大学）；Imam Abdulrahman Bin Faisal University（伊玛目阿卜杜勒拉赫曼·本·费萨尔大学）
The popularity, cost-effectiveness and ease of information exchange that electronic mails offer to electronic device users has been plagued with the rising number of unsolicited or spam emails. Driven by the need to protect email users from this growing menace, research in spam email filtering/detection systems has being increasingly active in the last decade. However, the adaptive nature of spam emails has often rendered most of these systems ineffective. While several spam detection models have been reported in literature, the reported performance on an out of sample test data shows the room…
Despite the success of deep learning in computer vision and natural language processing, Gradient Boosted Decision Tree (GBDT) is yet one of the most powerful tools for applications with tabular data such as e-commerce and FinTech. However, applying GBDT to multi-task learning is still a challenge. Unlike deep models that can jointly learn a shared latent representation across multiple tasks, GBDT can hardly learn a shared tree structure. In this paper, we propose Multi-task Gradient Boosting Machine (MT-GBM), a GBDT-based method for multi-task learning. The MT-GBM can find the shared tree str…
TF Boosted Trees (TFBT) is a new open-sourced frame-work for the distributed training of gradient boosted trees. It is based on TensorFlow, and its distinguishing features include a novel architecture, automatic loss differentiation, layer-by-layer boosting that results in smaller ensembles and faster prediction, principled multi-class handling, and a number of regularization techniques to prevent overfitting.
Gradient Regularized Newton Boosting Trees with Global Convergence
Department of Mathematics, Imperial College London, UK（帝国理工学院伦敦数学系）；School of Computer Science, University of St. Gallen, Switzerland（圣加尔登大学计算机科学学院）；Department of Mathematics, Stockholm University, Sweden（斯德哥尔摩大学数学系）
Yandex（Yandex（俄罗斯搜索引擎公司，可译为扬德克斯））；Moscow Institute of Physics and Technology（莫斯科物理技术学院）；Sberbank（俄罗斯联邦储蓄银行）
Stochastic Gradient Boosting (SGB) is a widely used approach to regularization of boosting models based on decision trees. It was shown that, in many cases, random sampling at each iteration can lead to better generalization performance of the model and can also decrease the learning time. Different sampling approaches were proposed, where probabilities are not uniform, and it is not currently clear which approach is the most effective. In this paper, we formulate the problem of randomization in SGB in terms of optimization of sampling probabilities to maximize the estimation accuracy of split…
