A soft tree is an actively studied variant of a decision tree that updates splitting rules using the gradient method. Although soft trees can take various architectures, their impact is not theoretically well known. In this paper, we formulate and analyze the Neural Tangent Kernel (NTK) induced by soft tree ensembles for arbitrary tree architectures. This kernel leads to the remarkable finding that only the number of leaves at each depth is relevant for the tree architecture in ensemble learning with an infinite number of trees. In other words, if the number of leaves at each depth is fixed, the training behavior in function space and the generalization performance are exactly the same across different tree architectures, even if they are not isomorphic. We also show that the NTK of asymmetric trees like decision lists does not degenerate when they get infinitely deep. This is in contrast to the perfect binary trees, whose NTK is known to degenerate and leads to worse generalization performance for deeper trees.
We explore the link between deep ensembles and Gaussian processes (GPs) through the lens of the Neural Tangent Kernel (NTK): a recent development in understanding the training dynamics of wide neural networks (NNs). Previous work has shown that even in the infinite width limit, when NNs become GPs, there is no GP posterior interpretation to a deep ensemble trained with squared error loss. We introduce a simple modification to standard deep ensembles training, through addition of a computationally-tractable, randomised and untrainable function to each ensemble member, that enables a posterior i…
The Graduate University for Advanced Studies, SOKENDAI（综合研究大学院大学）；National Institute of Informatics（国立信息学研究所）
In practical situations, the tree ensemble is one of the most popular models along with neural networks. A soft tree is a variant of a decision tree. Instead of using a greedy method for searching splitting rules, the soft tree is trained using a gradient method in which the entire splitting operation is formulated in a differentiable form. Although ensembles of such soft trees have been used increasingly in recent years, little theoretical work has been done to understand their behavior. By considering an ensemble of infinite soft trees, this paper introduces and studies the Tree Neural Tange…
Neural Tangent Kernel (NTK) theory is widely used to study the dynamics of infinitely-wide deep neural networks (DNNs) under gradient descent. But do the results for infinitely-wide networks give us hints about the behavior of real finite-width ones? In this paper, we study empirically when NTK theory is valid in practice for fully-connected ReLU and sigmoid DNNs. We find out that whether a network is in the NTK regime depends on the hyperparameters of random initialization and the network's depth. In particular, NTK theory does not explain the behavior of sufficiently deep networks initialize…
Identifying unfamiliar inputs, also known as out-of-distribution (OOD) detection, is a crucial property of any decision making process. A simple and empirically validated technique is based on deep ensembles where the variance of predictions over different neural networks acts as a substitute for input uncertainty. Nevertheless, a theoretical understanding of the inductive biases leading to the performance of deep ensemble's uncertainty estimation is missing. To improve our description of their behavior, we study deep ensembles with large layer widths operating in simplified linear training re…
University of Maryland（马里兰大学）；Joint Center for Quantum Information and Computer Science, University of Maryland（马里兰大学量子信息与计算机科学联合中心）；JPMorgan Chase & Co.（摩根大通公司）；Tsinghua University（清华大学）
A quantum neural network (QNN) is a parameterized mapping efficiently implementable on near-term Noisy Intermediate-Scale Quantum (NISQ) computers. It can be used for supervised learning when combined with classical gradient-based optimizers. Despite the existing empirical and theoretical investigations, the convergence of QNN training is not fully understood. Inspired by the success of the neural tangent kernels (NTKs) in probing into the dynamics of classical neural networks, a recent line of works proposes to study over-parameterized QNNs by examining a quantum version of tangent kernels. I…
University of Kentucky（肯塔基大学）；Shanghai Jiaotong University（上海交通大学）；Affiliated 6th People’s Hospital（附属第六人民医院）
Many real-world Electronic Health Record (EHR) data contains a large proportion of missing values. Leaving substantial portion of missing information unaddressed usually causes significant bias, which leads to invalid conclusion to be drawn. On the other hand, training a machine learning model with a much smaller nearly-complete subset can drastically impact the reliability and accuracy of model inference. Data imputation algorithms that attempt to replace missing data with meaningful values inevitably increase the variability of effect estimates with increased missingness, making it unreliabl…
State-of-the-art neural networks are heavily over-parameterized, making the optimization algorithm a crucial ingredient for learning predictive models with good generalization properties. A recent line of work has shown that in a certain over-parameterized regime, the learning dynamics of gradient descent are governed by a certain kernel obtained at initialization, called the neural tangent kernel. We study the inductive bias of learning in such a regime by analyzing this kernel and the corresponding function space (RKHS). In particular, we study smoothness, approximation, and stability proper…
École de technologie supérieure - Université du Québec（魁北克大学高等技术学院）；Centro de Informática - Universidade Federal de Pernambuco（伯南布哥联邦大学信息中心）
In dynamic selection (DS) techniques, only the most competent classifiers, for the classification of a specific test sample are selected to predict the sample's class labels. The more important step in DES techniques is estimating the competence of the base classifiers for the classification of each specific test sample. The classifiers' competence is usually estimated using the neighborhood of the test sample defined on the validation samples, called the region of competence. Thus, the performance of DS techniques is sensitive to the distribution of the validation set. In this paper, we evalu…
Seoul National University（首尔国立大学）；Hongik University（弘益大学）
The tremendous recent progress in analyzing the training dynamics of overparameterized neural networks has primarily focused on wide networks and therefore does not sufficiently address the role of depth in deep learning. In this work, we present the first trainability guarantee of infinitely deep but narrow neural networks. We study the infinite-depth limit of a multilayer perceptron (MLP) with a specific initialization and establish a trainability guarantee using the NTK theory. We then extend the analysis to an infinitely deep convolutional neural network (CNN) and perform brief experiments…
A memory efficient approach to ensembling neural networks is to share most weights among the ensembled models by means of a single reference network. We refer to this strategy as Embedded Ensembling (EE); its particular examples are BatchEnsembles and Monte-Carlo dropout ensembles. In this paper we perform a systematic theoretical and empirical analysis of embedded ensembles with different number of models. Theoretically, we use a Neural-Tangent-Kernel-based approach to derive the wide network limit of the gradient descent dynamics. In this limit, we identify two ensemble regimes - independent…
Modern neural network performance typically improves as model size increases. A recent line of research on the Neural Tangent Kernel (NTK) of over-parameterized networks indicates that the improvement with size increase is a product of a better conditioned loss landscape. In this work, we investigate a form of over-parameterization achieved through ensembling, where we define collegial ensembles (CE) as the aggregation of multiple independent models with identical architectures, trained as a single model. We show that the optimization dynamics of CE simplify dramatically when the number of mod…
Uncertainty Quantification with the Empirical Neural Tangent Kernel
School of Mathematics And Physics University of Queensland（数学与物理学院，昆士兰大学）；Dept. of Electrical and Electronic Engineering University of Melbourne（电子与电气工程系，墨尔本大学）；School of Mathematics and Statistics University of Melbourne（数学与统计学学院，墨尔本大学）；CIRES and School of Mathematics And Physics University of Queensland（CIRES和数学与物理学院，昆士兰大学）
Google Brain（谷歌大脑）；Google Health（谷歌健康）；Duke University（杜克大学）
In medicine, both ethical and monetary costs of incorrect predictions can be significant, and the complexity of the problems often necessitates increasingly complex models. Recent work has shown that changing just the random seed is enough for otherwise well-tuned deep neural networks to vary in their individual predicted probabilities. In light of this, we investigate the role of model uncertainty methods in the medical domain. Using RNN ensembles and various Bayesian RNNs, we show that population-level metrics, such as AUC-PR, AUC-ROC, log-likelihood, and calibration error, do not capture mo…
Pritzker School of Molecular Engineering, The University of Chicago（芝加哥大学普利兹克分子工程学院）；Chicago Quantum Exchange（芝加哥量子交易所）；Kadanoff Center for Theoretical Physics, The University of Chicago（芝加哥大学卡达诺夫理论物理中心）；IBM Quantum, IBM Research – Zurich（IBM研究院（苏黎世）IBM量子部门）；IBM Quantum, IBM T. J. Watson Research Center（IBM托马斯·J·沃森研究中心IBM量子部门）
Variational quantum circuits are used in quantum machine learning and variational quantum simulation tasks. Designing good variational circuits or predicting how well they perform for given learning or optimization tasks is still unclear. Here we discuss these problems, analyzing variational quantum circuits using the theory of neural tangent kernels. We define quantum neural tangent kernels, and derive dynamical equations for their associated loss function in optimization and learning tasks. We analytically solve the dynamics in the frozen limit, or lazy training regime, where variational ang…
Institute of Financial Service Analytics（金融服务分析研究所）；Alfred Lerner College of Business and Economics（阿尔弗雷德·勒纳商业与经济学院）；University Of Delaware（特拉华大学）
This paper examines two different yet related questions related to explainable AI (XAI) practices. Machine learning (ML) is increasingly important in financial services, such as pre-approval, credit underwriting, investments, and various front-end and back-end activities. Machine Learning can automatically detect non-linearities and interactions in training data, facilitating faster and more accurate credit decisions. However, machine learning models are opaque and hard to explain, which are critical elements needed for establishing a reliable technology. The study compares various machine lea…
Iowa State University（爱荷华州立大学）；Texas A&M University（得克萨斯农工大学）；New York University（纽约大学）
A remarkable recent discovery in machine learning has been that deep neural networks can achieve impressive performance (in terms of both lower training error and higher generalization capacity) in the regime where they are massively over-parameterized. Consequently, over the past year, the community has devoted growing interest in analyzing optimization and generalization properties of over-parameterized networks, and several breakthrough works have led to important theoretical progress. However, the majority of existing work only applies to supervised learning scenarios and hence are limited…
University of Virginia（弗吉尼亚大学）；University of California, Los Angeles (UCLA)（加利福尼亚大学洛杉矶分校）
Analyzing the ever-increasing volume of posts on social media sites such as Facebook and Twitter requires improved information processing methods for profiling authorship. Document classification is central to this task, but the performance of traditional supervised classifiers has degraded as the volume of social media has increased. This paper addresses this problem in the context of gender detection through ensemble classification that employs multi-model deep learning architectures to generate specialized understanding from different feature spaces.
McGill University, Department of Mathematics and Statistics（麦吉尔大学数学与统计学系）；Université Marie et Louis Pasteur, CNRS, LmB (UMR 6623)（玛丽·路易斯·帕斯特大学、法国国家科学研究中心、LmB（UMR 6623））
Tree ensembles are powerful models that are widely used. However, they are susceptible to adversarial examples, which are examples that purposely constructed to elicit a misprediction from the model. This can degrade performance and erode a user's trust in the model. Typically, approaches try to alleviate this problem by verifying how robust a learned ensemble is or robustifying the learning process. We take an alternative approach and attempt to detect adversarial examples in a post-deployment setting. We present a novel method for this task that works by analyzing an unseen example's output …
Apple diseases, if not diagnosed early, can lead to massive resource loss and pose a serious threat to humans and animals who consume the infected apples. Hence, it is critical to diagnose these diseases early in order to manage plant health and minimize the risks associated with them. However, the conventional approach of monitoring plant diseases entails manual scouting and analyzing the features, texture, color, and shape of the plant leaves, resulting in delayed diagnosis and misjudgments. Our work proposes an ensembled system of Xception, InceptionResNet, and MobileNet architectures to de…
Artificial Neural Network Assisted Modelling of Tangent Galvanometer Measurements for the Determination of Horizontal Component of Earth's Magnetic Field
National Institute of Science Education and Research（国家科学教育与研究学院）；Sri Sri University（斯里斯里大学）
University of Augsburg（奥格斯堡大学）；University Hospital Augsburg（奥格斯堡大学医院）
Novel and high-performance medical image classification pipelines are heavily utilizing ensemble learning strategies. The idea of ensemble learning is to assemble diverse models or multiple predictions and, thus, boost prediction performance. However, it is still an open question to what extent as well as which ensemble learning strategies are beneficial in deep learning based medical image classification pipelines. In this work, we proposed a reproducible medical image classification pipeline for analyzing the performance impact of the following ensemble learning techniques: Augmenting, Stack…
