Bayesian Optimization (BO) is a common approach for hyperparameter optimization (HPO) in automated machine learning. Although it is well-accepted that HPO is crucial to obtain well-performing machine learning models, tuning BO's own hyperparameters is often neglected. In this paper, we empirically study the impact of optimizing BO's own hyperparameters and the transferability of the found settings using a wide range of benchmarks, including artificial functions, HPO and HPO combined with neural architecture search. In particular, we show (i) that tuning can improve the any-time performance of different BO approaches, that optimized BO settings also perform well (ii) on similar problems and (iii) partially even on problems from other problem families, and (iv) which BO hyperparameters are most important.
With the surge in the number of hyperparameters and training times of modern machine learning models, hyperparameter tuning is becoming increasingly expensive. However, after assessing 40 tuning methods systematically, we find that each faces certain limitations. In particular, methods that speed up tuning via knowledge transfer typically require the final performance of hyperparameters and do not focus on low-fidelity information. As we demonstrate empirically, this common practice is suboptimal and can incur an unnecessary use of resources. It is more cost-efficient to instead leverage low-f…
The performance of deep (reinforcement) learning systems crucially depends on the choice of hyperparameters. Their tuning is notoriously expensive, typically requiring an iterative training process to run for numerous steps to convergence. Traditional tuning algorithms only consider the final performance of hyperparameters acquired after many expensive iterations and ignore intermediate information from earlier training steps. In this paper, we present a Bayesian optimization (BO) approach which exploits the iterative structure of learning algorithms for efficient hyperparameter tuning. We pro…
Bridging Data Barriers among Participants: Assessing the Potential of Geoenergy through Federated Learning
Ningbo Institute of Digital Twin, Eastern Institute of Technology（宁波数字孪生研究院，东方理工大学）；The Hong Kong Polytechnic University（香港理工大学）；Shanghai Jiao Tong University（上海交通大学）；Research Institute for Smart Energy, The Hong Kong Polytechnic University（香港理工大学智慧能源研究院）
Working with any gradient-based machine learning algorithm involves the tedious task of tuning the optimizer's hyperparameters, such as its step size. Recent work has shown how the step size can itself be optimized alongside the model parameters by manually deriving expressions for "hypergradients" ahead of time. We show how to automatically compute hypergradients with a simple and elegant modification to backpropagation. This allows us to easily apply the method to other optimizers and hyperparameters (e.g. momentum coefficients). We can even recursively apply the method to its own hyper-hype…
University of Electronic Science and Technology of China（电子科技大学）；Stevens Institute of Technology（史蒂文斯理工学院）；Schlumberger-Doll Research Center（斯伦贝谢多尔研究中心）
We consider the problem of recovering block-sparse signals whose structures are unknown \emph{a priori}. Block-sparse signals with nonzero coefficients occurring in clusters arise naturally in many practical scenarios. However, the knowledge of the block structure is usually unavailable in practice. In this paper, we develop a new sparse Bayesian learning method for recovery of block-sparse signals with unknown cluster patterns. Specifically, a pattern-coupled hierarchical Gaussian prior model is introduced to characterize the statistical dependencies among coefficients, in which a set of hype…
We construct a "hyperparameter matrix" statistical method for performing the joint analyses of multiple correlated astronomical data sets, in which the weights of data sets are determined by their own statistical properties. This method is a generalization of the hyperparameter method constructed by Lahav et al. (2000) and Hobson, Bridle, & Lahav (2002) which was designed to combine independent data sets. The advantage of our method is to treat correlations between multiple data sets and gives appropriate relevant weights of multiple data sets with mutual correlations. We define a new "element…
Modern data science relies on data analytic pipelines to organize interdependent computational steps. Such analytic pipelines often involve different algorithms across multiple steps, each with its own hyperparameters. To achieve the best performance, it is often critical to select optimal algorithms and to set appropriate hyperparameters, which requires large computational efforts. Bayesian optimization provides a principled way for searching optimal hyperparameters for a single algorithm. However, many challenges remain in solving pipeline optimization problems with high-dimensional and high…
TAckling the Underspecified, Université Paris Sud（TAckling the Underspecified, 巴黎南大学）；Facebook Artificial Intelligence Research（Facebook人工智能研究）
Hyperparameter tuning is a bothersome step in the training of deep learning models. One of the most sensitive hyperparameters is the learning rate of the gradient descent. We present the 'All Learning Rates At Once' (Alrao) optimization method for neural networks: each unit or feature in the network gets its own learning rate sampled from a random distribution spanning several orders of magnitude. This comes at practically no computational cost. Perhaps surprisingly, stochastic gradient descent (SGD) with Alrao performs close to SGD with an optimally tuned learning rate, for various architectu…
Sparse linear (or generalized linear) models combine a standard likelihood function with a sparse prior on the unknown coefficients. These priors can conveniently be expressed as a maximization over zero-mean Gaussians with different variance hyperparameters. Standard MAP estimation (Type I) involves maximizing over both the hyperparameters and coefficients, while an empirical Bayesian alternative (Type II) first marginalizes the coefficients and then maximizes over the hyperparameters, leading to a tractable posterior approximation. The underlying cost functions can be related via a dual-spac…
University of Toronto（多伦多大学）；Vector Institute（向量研究所）
Hyperparameter optimization can be formulated as a bilevel optimization problem, where the optimal parameters on the training set depend on the hyperparameters. We aim to adapt regularization hyperparameters for neural networks by fitting compact approximations to the best-response function, which maps hyperparameters to optimal weights and biases. We show how to construct scalable best-response approximations for neural networks by modeling the best-response as a single network whose hidden units are gated conditionally on the regularizer. We justify this approximation by showing the exact be…
Representation and Regression Problems in Neural Networks: Relaxation, Generalization, and Numerics
Institut de Mathematiques de Bourgogne, Universite Bourgogne Europe, CNRS（勃艮第数学研究所，勃艮第欧洲大学，法国国家科学研究中心）；Universidad Autónoma de Madrid（马德里自治大学）；Fundación Deusto（德乌斯托基金会）
Federated Learning (FL) decouples model training from the need for direct access to the data and allows organizations to collaborate with industry partners to reach a satisfying level of performance without sharing vulnerable business information. The performance of a machine learning algorithm is highly sensitive to the choice of its hyperparameters. In an FL setting, hyperparameter optimization poses new challenges. In this work, we investigated the impact of different hyperparameter optimization approaches in an FL system. In an effort to reduce communication costs, a critical bottleneck in…
Department of Computer Science, UCLA（加州大学洛杉矶分校计算机科学系）；Department of Computer Science, National University of Singapore（新加坡国立大学计算机科学系）；Google Research（谷歌研究院）
Many optimizers have been proposed for training deep neural networks, and they often have multiple hyperparameters, which make it tricky to benchmark their performance. In this work, we propose a new benchmarking protocol to evaluate both end-to-end efficiency (training a model from scratch without knowing the best hyperparameter) and data-addition training efficiency (the previously selected hyperparameters are used for periodically re-training the model with newly collected data). For end-to-end efficiency, unlike previous work that assumes random hyperparameter tuning, which over-emphasizes…
Clova AI Research, NAVER Corporation（NAVER公司Clova人工智能研究院）；KAIST（韩国科学技术院）
To mitigate the pain of manually tuning hyperparameters of deep neural networks, automated machine learning (AutoML) methods have been developed to search for an optimal set of hyperparameters in large combinatorial search spaces. However, the search results of AutoML methods significantly depend on initial configurations, making it a non-trivial task to find a proper configuration. Therefore, human intervention via a visual analytic approach bears huge potential in this task. In response, we propose HyperTendril, a web-based visual analytics system that supports user-driven hyperparameter tun…
Hyperparameter optimization (HPO) is concerned with the automated search for the most appropriate hyperparameter configuration (HPC) of a parameterized machine learning algorithm. A state-of-the-art HPO method is Hyperband, which, however, has its own parameters that influence its performance. One of these parameters, the maximal budget, is especially problematic: If chosen too small, the budget needs to be increased in hindsight and, as Hyperband is not incremental by design, the entire algorithm must be re-run. This is not only costly but also comes with a loss of valuable knowledge already …
Cornell Tech（康奈尔理工学院）；Weill Cornell Medical School（威尔康奈尔医学院）；Massachusetts Institute of Technology（麻省理工学院）；Massachusetts General Hospital（麻省总医院）
Deep learning based techniques achieve state-of-the-art results in a wide range of image reconstruction tasks like compressed sensing. These methods almost always have hyperparameters, such as the weight coefficients that balance the different terms in the optimized loss function. The typical approach is to train the model for a hyperparameter setting determined with some empirical or theoretical justification. Thus, at inference time, the model can only compute reconstructions corresponding to the pre-determined hyperparameter values. In this work, we present a hypernetwork-based approach, ca…
Middle East Technical University（中东技术大学）；Neuroscience and Neurotechnology Center of Excellence（神经科学与神经技术卓越中心）
Availability of large, diverse, and multi-national datasets is crucial for the development of effective and clinically applicable AI systems in the medical imaging domain. However, forming a global model by bringing these datasets together at a central location, comes along with various data privacy and ownership problems. To alleviate these problems, several recent studies focus on the federated learning paradigm, a distributed learning approach for decentralized data. Federated learning leverages all the available data without any need for sharing collaborators' data with each other or colle…
An adaptively inexact first-order method for bilevel optimization with application to hyperparameter learning
EPSRC Centre for Doctoral Training in Statistical Applied Mathematics at Bath (SAMBa)（EPSRC统计应用数学博士培训中心（SAMBa））；Department of Mathematical Sciences, University of Bath（巴斯大学数学科学系）；Department of Electronics & Electrical Communication Engineering, Indian Institute of Technology (IIT), Kharagpur（印度理工学院（Kharagpur）电子与电气通信工程系）；School of Mathematics and Statistics, University of Sydney（悉尼大学数学与统计学学院）
This report is concerned with the Mondrian process and its applications in machine learning. The Mondrian process is a guillotine-partition-valued stochastic process that possesses an elegant self-consistency property. The first part of the report uses simple concepts from applied probability to define the Mondrian process and explore its properties. The Mondrian process has been used as the main building block of a clever online random forest classification algorithm that turns out to be equivalent to its batch counterpart. We outline a slight adaptation of this algorithm to regression, as th…
When Is an LLM Worth It for Hyperparameter Optimization? A Budget-Matched Study on Tabular Data Finds the Warm-Start Is a Default Configuration, Not the Model
