The main goal of this thesis is to point out that the bias-variance tradeoff is not always true (e.g. in neural networks). We advocate for this lack of universality to be acknowledged in textbooks and taught in introductory courses that cover the tradeoff. We first review the history of the bias-variance tradeoff, its prevalence in textbooks, and some of the main claims made about the bias-variance tradeoff. Through extensive experiments and analysis, we show a lack of a bias-variance tradeoff in neural networks when increasing network width. Our findings seem to contradict the claims of the landmark work by Geman et al. (1992). Motivated by this contradiction, we revisit the experimental measurements in Geman et al. (1992). We discuss that there was never strong evidence for a tradeoff in neural networks when varying the number of parameters. We observe a similar phenomenon beyond supervised learning, with a set of deep reinforcement learning experiments. We argue that textbook and lecture revisions are in order to convey this nuanced modern understanding of the bias-variance tradeoff.
Deep reinforcement learning (DRL) on Markov decision processes (MDPs) with continuous action spaces is often approached by directly training parametric policies along the direction of estimated policy gradients (PGs). Previous research revealed that the performance of these PG algorithms depends heavily on the bias-variance tradeoffs involved in estimating and using PGs. A notable approach towards balancing this tradeoff is to merge both on-policy and off-policy gradient estimations. However existing PG merging methods can be sample inefficient and are not suitable to train deterministic polic…
Meta-gradients provide a general approach for optimizing the meta-parameters of reinforcement learning (RL) algorithms. Estimation of meta-gradients is central to the performance of these meta-algorithms, and has been studied in the setting of MAML-style short-horizon meta-RL problems. In this context, prior work has investigated the estimation of the Hessian of the RL objective, as well as tackling the problem of credit assignment to pre-adaptation behavior by making a sampling correction. However, we show that Hessian estimation, implemented for example by DiCE and its variants, always adds …
Tokyo Institute of Technology（东京工业大学）；Cornell University（康奈尔大学）；Yahoo Japan Corporation（雅虎日本公司）；Yale University（耶鲁大学）
In real-world recommender systems and search engines, optimizing ranking decisions to present a ranked list of relevant items is critical. Off-policy evaluation (OPE) for ranking policies is thus gaining a growing interest because it enables performance estimation of new ranking policies using only logged data. Although OPE in contextual bandits has been studied extensively, its naive application to the ranking setting faces a critical variance issue due to the huge item space. To tackle this problem, previous studies introduce some assumptions on user behavior to make the combinatorial item s…
We present and prove properties of a new offline policy evaluator for an exploration learning setting which is superior to previous evaluators. In particular, it simultaneously and correctly incorporates techniques from importance weighting, doubly robust evaluation, and nonstationary policy evaluation approaches. In addition, our approach allows generating longer histories by careful control of a bias-variance tradeoff, and further decreases variance by incorporating information about randomness of the target policy. Empirical evidence from synthetic and realworld exploration learning problem…
Classical Statistical (In-Sample) Intuitions Don't Generalize Well: A Note on Bias-Variance Tradeoffs, Overfitting and Moving from Fixed to Random Designs
Institute of Operations Research and Analytics, National University of Singapore（新加坡国立大学运筹学与分析研究所）；Department of Electrical and Computer Engineering, National University of Singapore（新加坡国立大学电气与计算机工程系）；Department of Mathematics, National University of Singapore（新加坡国立大学数学系）
The multi-armed bandit (MAB) problem is a classical learning task that exemplifies the exploration-exploitation tradeoff. However, standard formulations do not take into account {\em risk}. In online decision making systems, risk is a primary concern. In this regard, the mean-variance risk measure is one of the most common objective functions. Existing algorithms for mean-variance optimization in the context of MAB problems have unrealistic assumptions on the reward distributions. We develop Thompson Sampling-style algorithms for mean-variance MAB and provide comprehensive regret analyses for …
This paper builds upon the work of Pfau (2013), which generalized the bias variance tradeoff to any Bregman divergence loss function. Pfau (2013) showed that for Bregman divergences, the bias and variances are defined with respect to a central label, defined as the mean of the label variable, and a central prediction, of a more complex form. We show that, similarly to the label, the central prediction can be interpreted as the mean of a random variable, where the mean operates in a dual space defined by the loss function itself. Viewing the bias-variance tradeoff through operations taken in du…
We approach the continuous-time mean-variance (MV) portfolio selection with reinforcement learning (RL). The problem is to achieve the best tradeoff between exploration and exploitation, and is formulated as an entropy-regularized, relaxed stochastic control problem. We prove that the optimal feedback policy for this problem must be Gaussian, with time-decaying variance. We then establish connections between the entropy-regularized MV and the classical MV, including the solvability equivalence and the convergence as exploration weighting parameter decays to zero. Finally, we prove a policy imp…
Department of Electrical Engineering and Computer Science, University of Michigan（密歇根大学电气工程与计算机科学系）
This paper presents a bias-variance tradeoff of graph Laplacian regularizer, which is widely used in graph signal processing and semi-supervised learning tasks. The scaling law of the optimal regularization parameter is specified in terms of the spectral graph properties and a novel signal-to-noise ratio parameter, which suggests selecting a mediocre regularization parameter is often suboptimal. The analysis is applied to three applications, including random, band-limited, and multiple-sampled graph signals. Experiments on synthetic and real-world graphs demonstrate near-optimal performance of…
This paper provides a framework to analyze stochastic gradient algorithms in a mean squared error (MSE) sense using the asymptotic normality result of the stochastic gradient descent (SGD) iterates. We perform this analysis by taking the asymptotic normality result and applying it to the finite iteration case. Specifically, we look at problems where the gradient estimators are biased and have reduced variance and compare the iterates generated by these gradient estimators to the iterates generated by the SGD algorithm. We use the work of Fabian to characterize the mean and the variance of the …
Massachusetts Institute of Technology（麻省理工学院）；Carnegie Mellon University（卡内基梅隆大学）
We consider experiments in dynamical systems where interventions on some experimental units impact other units through a limiting constraint (such as a limited inventory). Despite outsize practical importance, the best estimators for this `Markovian' interference problem are largely heuristic in nature, and their bias is not well understood. We formalize the problem of inference in such experiments as one of policy evaluation. Off-policy estimators, while unbiased, apparently incur a large penalty in variance relative to state-of-the-art heuristics. We introduce an on-policy estimator: the Dif…
Horizon Robotics（地平线机器人）；University at Buffalo（布法罗大学）；Tsinghua University（清华大学）
Knowledge distillation is an effective approach to leverage a well-trained network or an ensemble of them, named as the teacher, to guide the training of a student network. The outputs from the teacher network are used as soft labels for supervising the training of a new network. Recent studies \citep{muller2019does,yuan2020revisiting} revealed an intriguing property of the soft labels that making labels soft serves as a good regularization to the student network. From the perspective of statistical learning, regularization aims to reduce the variance, however how bias and variance change is n…
Discrete and especially binary random variables occur in many machine learning models, notably in variational autoencoders with binary latent states and in stochastic binary networks. When learning such models, a key tool is an estimator of the gradient of the expected loss with respect to the probabilities of binary variables. The straight-through (ST) estimator gained popularity due to its simplicity and efficiency, in particular in deep networks where unbiased estimators are impractical. Several techniques were proposed to improve over ST while keeping the same low computational complexity:…
Technical University of Munich（慕尼黑工业大学）；Rice University（莱斯大学）
Over-parameterized models, such as large deep networks, often exhibit a double descent phenomenon, whereas a function of model size, error first decreases, increases, and decreases at last. This intriguing double descent behavior also occurs as a function of training epochs and has been conjectured to arise because training epochs control the model complexity. In this paper, we show that such epoch-wise double descent arises for a different reason: It is caused by a superposition of two or more bias-variance tradeoffs that arise because different parts of the network are learned at different e…
Sequence Compression Speeds Up Credit Assignment in Reinforcement Learning
The Swiss AI Lab IDSIA, USI & SUPSI（瑞士IDSIA人工智能实验室、瑞士意大利语区大学、瑞士南部应用科学大学）；University of Alberta（阿尔伯塔大学）；Alberta Machine Intelligence Institute（阿尔伯塔机器智能研究所）；AI Initiative, King Abdullah University of Science and Technology（阿卜杜拉国王科技大学人工智能计划）
Optimal Bias-variance Tradeoff in Matrix and Tensor Estimation
Booth School of Business, University of Chicago（芝加哥大学商学院）；Department of ACMS, University of Notre Dame（诺特难大学ACMS系）；Department of Mathematics and Statistics, Auburn University（阿伯茨伦大学数学与统计学系）；Department of Statistics and Data Science, Washington University in Saint Louis（圣路易斯华盛顿大学统计学与数据科学系）；Department of Statistics, University of California, Los Angeles（加州大学洛杉矶分校统计学系）；Department of Mathematics, University of California, San Diego（加州大学圣地亚哥分校数学系）
The Ohio State University（俄亥俄州立大学）；Columbia University（哥伦比亚大学）
Breakthroughs in machine learning are rapidly changing science and society, yet our fundamental understanding of this technology has lagged far behind. Indeed, one of the central tenets of the field, the bias-variance trade-off, appears to be at odds with the observed behavior of methods used in the modern machine learning practice. The bias-variance trade-off implies that a model should balance under-fitting and over-fitting: rich enough to express underlying structure in data, simple enough to avoid fitting spurious patterns. However, in the modern practice, very rich models such as neural n…
Ensembles are a straightforward, remarkably effective method for improving the accuracy,calibration, and robustness of models on classification tasks; yet, the reasons that underlie their success remain an active area of research. We build upon the extension to the bias-variance decomposition by Pfau (2013) in order to gain crucial insights into the behavior of ensembles of classifiers. Introducing a dual reparameterization of the bias-variance tradeoff, we first derive generalized laws of total expectation and variance for nonsymmetric losses typical of classification tasks. Comparing conditi…
Google Brain（谷歌大脑）；MILA（蒙特利尔学习算法研究所）；DeepMind（深度思维）
Estimating and optimizing Mutual Information (MI) is core to many problems in machine learning; however, bounding MI in high dimensions is challenging. To establish tractable and scalable objectives, recent work has turned to variational bounds parameterized by neural networks, but the relationships and tradeoffs between these bounds remains unclear. In this work, we unify these recent developments in a single framework. We find that the existing variational lower bounds degrade when the MI is large, exhibiting either high bias or high variance. To address this problem, we introduce a continuu…
University of Massachusetts Boston（马萨诸塞大学波士顿分校）；University of Tennesee（田纳西大学）
The study of model bias and variance with respect to decision boundaries is critically important in supervised classification. There is generally a tradeoff between the two, as fine-tuning of the decision boundary of a classification model to accommodate more boundary training samples (i.e., higher model complexity) may improve training accuracy (i.e., lower bias) but hurt generalization against unseen data (i.e., higher variance). By focusing on just classification boundary fine-tuning and model complexity, it is difficult to reduce both bias and variance. To overcome this dilemma, we take a …
Variational approaches based on neural networks are showing promise for estimating mutual information (MI) between high dimensional variables. However, they can be difficult to use in practice due to poorly understood bias/variance tradeoffs. We theoretically show that, under some conditions, estimators such as MINE exhibit variance that could grow exponentially with the true amount of underlying MI. We also empirically demonstrate that existing estimators fail to satisfy basic self-consistency properties of MI, such as data processing and additivity under independence. Based on a unified pers…
Waterloo AI Institute, University of Waterloo（滑铁卢大学滑铁卢人工智能研究所）；ADC Automotive Distance Control Systems GmbH, Continental（大陆集团ADC汽车距离控制系统有限公司）
Prior studies have unveiled the vulnerability of the deep neural networks in the context of adversarial machine learning, leading to great recent attention into this area. One interesting question that has yet to be fully explored is the bias-variance relationship of adversarial machine learning, which can potentially provide deeper insights into this behaviour. The notion of bias and variance is one of the main approaches to analyze and evaluate the generalization and reliability of a machine learning model. Although it has been extensively used in other machine learning models, it is not wel…
To improve the efficiency of Monte Carlo estimation, practitioners are turning to biased Markov chain Monte Carlo procedures that trade off asymptotic exactness for computational speed. The reasoning is sound: a reduction in variance due to more rapid sampling can outweigh the bias introduced. However, the inexactness creates new challenges for sampler and parameter selection, since standard measures of sample quality like effective sample size do not account for asymptotic bias. To address these challenges, we introduce a new computable quality measure based on Stein's method that quantifies …
Boston University（波士顿大学）；University of California, Berkeley（加州大学伯克利分校）；City University of New York（纽约市立大学）
Machine Learning (ML) is one of the most exciting and dynamic areas of modern research and application. The purpose of this review is to provide an introduction to the core concepts and tools of machine learning in a manner easily understood and intuitive to physicists. The review begins by covering fundamental concepts in ML and modern statistics such as the bias-variance tradeoff, overfitting, regularization, generalization, and gradient descent before moving on to more advanced topics in both supervised and unsupervised learning. Topics covered in the review include ensemble models, deep le…
The bias/variance tradeoff is fundamental to learning: increasing a model's complexity can improve its fit on training data, but potentially worsens performance on future samples. Remarkably, however, the human brain effortlessly handles a wide-range of complex pattern recognition tasks. On the basis of these conflicting observations, it has been argued that useful biases in the form of "generic mechanisms for representation" must be hardwired into cortex (Geman et al). This note describes a useful bias that encourages cooperative learning which is both biologically plausible and rigorously ju…
