arXiv subjects

Aaron Klein

Publications and source records attributed to Aaron Klein.

32 records · Page 2Linked to original sources

arXiv2022

Automatic Termination for Hyperparameter Optimization

Bayesian optimization (BO) is a widely popular approach for the hyperparameter optimization (HPO) in machine learning. At its core, BO iteratively evaluates promising configurations until a user-defined budget, such as wall-clock time or number of iterations, is exhausted. While the final performance after tuning heavily depends on the provided budget, it is hard to pre-specify an optimal value in advance. In this work, we propose an effective and intuitive termination criterion for BO that automatically stops the procedure if it is sufficiently close to the global optimum. Our key insight is that the discrepancy between the true objective (predictive performance on test data) and the computable target (validation performance) suggests stopping once the suboptimality in optimizing the target is dominated by the statistical estimation error. Across an extensive range of real-world HPO problems and baselines, we show that our termination criterion achieves a better trade-off between the test performance and optimization time. Additionally, we find that overfitting may occur in the context of HPO, which is arguably an overlooked problem in the literature, and show how our termination criterion helps to mitigate this phenomenon on both small and large datasets.

cs.LG↗

arXiv2021

Online Optimization of Stimulation Speed in an Auditory Brain-Computer Interface under Time Constraints

The decoding of brain signals recorded via, e.g., an electroencephalogram, using machine learning is key to brain-computer interfaces (BCIs). Stimulation parameters or other experimental settings of the BCI protocol typically are chosen according to the literature. The decoding performance directly depends on the choice of parameters, as they influence the elicited brain signals and optimal parameters are subject-dependent. Thus a fast and automated selection procedure for experimental parameters could greatly improve the usability of BCIs. We evaluate a standalone random search and a combined Bayesian optimization with random search in a closed-loop auditory event-related potential protocol. We aimed at finding the individually best stimulation speed -- also known as stimulus onset asynchrony (SOA) -- that maximizes the classification performance of a regularized linear discriminant analysis. To make the Bayesian optimization feasible under noise and the time pressure posed by an online BCI experiment, we first used offline simulations to initialize and constrain the internal optimization model. Then we evaluated our approach online with 13 healthy subjects. We could show that for 8 out of 13 subjects, the proposed approach using Bayesian optimization succeeded to select the individually optimal SOA out of multiple evaluated SOA values. Our data suggests, however, that subjects were influenced to very different degrees by the SOA parameter. This makes the automatic parameter selection infeasible for subjects where the influence is limited. Our work proposes an approach to exploit the benefits of individualized experimental protocols and evaluated it in an auditory BCI. When applied to other experimental parameters our approach could enhance the usability of BCI for different target groups -- specifically if an individual disease progress may prevent the use of standard parameters.

q-bio.NC↗

arXiv2021

Hyperparameter Transfer Learning with Adaptive Complexity

Bayesian optimization (BO) is a sample efficient approach to automatically tune the hyperparameters of machine learning models. In practice, one frequently has to solve similar hyperparameter tuning problems sequentially. For example, one might have to tune a type of neural network learned across a series of different classification problems. Recent work on multi-task BO exploits knowledge gained from previous tuning tasks to speed up a new tuning task. However, previous approaches do not account for the fact that BO is a sequential decision making procedure. Hence, there is in general a mismatch between the number of evaluations collected in the current tuning task compared to the number of evaluations accumulated in all previously completed tasks. In this work, we enable multi-task BO to compensate for this mismatch, such that the transfer learning procedure is able to handle different data regimes in a principled way. We propose a new multi-task BO method that learns a set of ordered, non-linear basis functions of increasing complexity via nested drop-out and automatic relevance determination. Experiments on a variety of hyperparameter tuning problems show that our method improves the sample ef

cs.LG↗

arXiv2021

BORE: Bayesian Optimization by Density-Ratio Estimation

Bayesian optimization (BO) is among the most effective and widely-used blackbox optimization methods. BO proposes solutions according to an explore-exploit trade-off criterion encoded in an acquisition function, many of which are computed from the posterior predictive of a probabilistic surrogate model. Prevalent among these is the expected improvement (EI) function. The need to ensure analytical tractability of the predictive often poses limitations that can hinder the efficiency and applicability of BO. In this paper, we cast the computation of EI as a binary classification problem, building on the link between class-probability estimation and density-ratio estimation, and the lesser-known link between density-ratios and EI. By circumventing the tractability constraints, this reformulation provides numerous advantages, not least in terms of expressiveness, versatility, and scalability.

cs.LG↗

arXiv2020

Model-based Asynchronous Hyperparameter and Neural Architecture Search

We introduce a model-based asynchronous multi-fidelity method for hyperparameter and neural architecture search that combines the strengths of asynchronous Hyperband and Gaussian process-based Bayesian optimization. At the heart of our method is a probabilistic model that can simultaneously reason across hyperparameters and resource levels, and supports decision-making in the presence of pending evaluations. We demonstrate the effectiveness of our method on a wide range of challenging benchmarks, for tabular data, image classification and language modelling, and report substantial speed-ups over current state-of-the-art methods. Our new methods, along with asynchronous baselines, are implemented in a distributed framework which will be open sourced along with this publication.

cs.LG↗

arXiv2019

Meta-Surrogate Benchmarking for Hyperparameter Optimization

Despite the recent progress in hyperparameter optimization (HPO), available benchmarks that resemble real-world scenarios consist of a few and very large problem instances that are expensive to solve. This blocks researchers and practitioners not only from systematically running large-scale comparisons that are needed to draw statistically significant results but also from reproducing experiments that were conducted before. This work proposes a method to alleviate these issues by means of a meta-surrogate model for HPO tasks trained on off-line generated data. The model combines a probabilistic encoder with a multi-task model such that it can generate inexpensive and realistic tasks of the class of problems of interest. We demonstrate that benchmarking HPO methods on samples of the generative model allows us to draw more coherent and statistically significant conclusions that can be reached orders of magnitude faster than using the original tasks. We provide evidence of our findings for various HPO methods on a wide class of problems.

cs.LG↗

arXiv2019

Probabilistic Rollouts for Learning Curve Extrapolation Across Hyperparameter Settings

We propose probabilistic models that can extrapolate learning curves of iterative machine learning algorithms, such as stochastic gradient descent for training deep networks, based on training data with variable-length learning curves. We study instantiations of this framework based on random forests and Bayesian recurrent neural networks. Our experiments show that these models yield better predictions than state-of-the-art models from the hyperparameter optimization literature when extrapolating the performance of neural networks trained with different hyperparameter settings.

cs.LG↗

arXiv2019

NAS-Bench-101: Towards Reproducible Neural Architecture Search

Recent advances in neural architecture search (NAS) demand tremendous computational resources, which makes it difficult to reproduce experiments and imposes a barrier-to-entry to researchers without access to large-scale computation. We aim to ameliorate these problems by introducing NAS-Bench-101, the first public architecture dataset for NAS research. To build NAS-Bench-101, we carefully constructed a compact, yet expressive, search space, exploiting graph isomorphisms to identify 423k unique convolutional architectures. We trained and evaluated all of these architectures multiple times on CIFAR-10 and compiled the results into a large dataset of over 5 million trained models. This allows researchers to evaluate the quality of a diverse range of models in milliseconds by querying the pre-computed dataset. We demonstrate its utility by analyzing the dataset as a whole and by benchmarking a range of architecture optimization algorithms.

cs.LG↗

arXiv2019

Tabular Benchmarks for Joint Architecture and Hyperparameter Optimization

Due to the high computational demands executing a rigorous comparison between hyperparameter optimization (HPO) methods is often cumbersome. The goal of this paper is to facilitate a better empirical evaluation of HPO methods by providing benchmarks that are cheap to evaluate, but still represent realistic use cases. We believe these benchmarks provide an easy and efficient way to conduct reproducible experiments for neural hyperparameter search. Our benchmarks consist of a large grid of configurations of a feed forward neural network on four different regression datasets including architectural hyperparameters and hyperparameters concerning the training pipeline. Based on this data, we performed an in-depth analysis to gain a better understanding of the properties of the optimization problem, as well as of the importance of different types of hyperparameters. Second, we exhaustively compared various different state-of-the-art methods from the hyperparameter optimization literature on these benchmarks in terms of performance and robustness.

cs.LG↗

arXiv2018

Uncertainty Estimates and Multi-Hypotheses Networks for Optical Flow

Optical flow estimation can be formulated as an end-to-end supervised learning problem, which yields estimates with a superior accuracy-runtime tradeoff compared to alternative methodology. In this paper, we make such networks estimate their local uncertainty about the correctness of their prediction, which is vital information when building decisions on top of the estimations. For the first time we compare several strategies and techniques to estimate uncertainty in a large-scale computer vision task like optical flow estimation. Moreover, we introduce a new network architecture utilizing the Winner-Takes-All loss and show that this can provide complementary hypotheses and uncertainty estimates efficiently with a single forward pass and without the need for sampling or ensembles. Finally, we demonstrate the quality of the different uncertainty estimates, which is clearly above previous confidence measures on optical flow and allows for interactive frame rates.

cs.CV↗

arXiv2018

Towards Automated Deep Learning: Efficient Joint Neural Architecture and Hyperparameter Search

While existing work on neural architecture search (NAS) tunes hyperparameters in a separate post-processing step, we demonstrate that architectural choices and other hyperparameter settings interact in a way that can render this separation suboptimal. Likewise, we demonstrate that the common practice of using very few epochs during the main NAS and much larger numbers of epochs during a post-processing step is inefficient due to little correlation in the relative rankings for these two training regimes. To combat both of these problems, we propose to use a recent combination of Bayesian optimization and Hyperband for efficient joint neural architecture and hyperparameter search.

cs.LG↗

arXiv2018

BOHB: Robust and Efficient Hyperparameter Optimization at Scale

Modern deep learning methods are very sensitive to many hyperparameters, and, due to the long training times of state-of-the-art models, vanilla Bayesian hyperparameter optimization is typically computationally infeasible. On the other hand, bandit-based configuration evaluation approaches based on random search lack guidance and do not converge to the best configurations as quickly. Here, we propose to combine the benefits of both Bayesian optimization and bandit-based methods, in order to achieve the best of both worlds: strong anytime performance and fast convergence to optimal configurations. We propose a new practical state-of-the-art hyperparameter optimization method, which consistently outperforms both Bayesian optimization and Hyperband on a wide range of problem types, including high-dimensional toy functions, support vector machines, feed-forward neural networks, Bayesian neural networks, deep reinforcement learning, and convolutional neural networks. Our method is robust and versatile, while at the same time being conceptually simple and easy to implement.

cs.LG↗

arXiv2017

Fast Bayesian Optimization of Machine Learning Hyperparameters on Large Datasets

Bayesian optimization has become a successful tool for hyperparameter optimization of machine learning algorithms, such as support vector machines or deep neural networks. Despite its success, for large datasets, training and validating a single configuration often takes hours, days, or even weeks, which limits the achievable performance. To accelerate hyperparameter optimization, we propose a generative model for the validation error as a function of training set size, which is learned during the optimization process and allows exploration of preliminary configurations on small subsets, by extrapolating to the full dataset. We construct a Bayesian optimization procedure, dubbed Fabolas, which models loss and training time as a function of dataset size and automatically trades off high information gain about the global optimum against computational cost. Experiments optimizing support vector machines and deep neural networks show that Fabolas often finds high-quality solutions 10 to 100 times faster than other state-of-the-art Bayesian optimization methods or the recently proposed bandit strategy Hyperband.

cs.LG↗

arXiv2016

Asynchronous Stochastic Gradient MCMC with Elastic Coupling

We consider parallel asynchronous Markov Chain Monte Carlo (MCMC) sampling for problems where we can leverage (stochastic) gradients to define continuous dynamics which explore the target distribution. We outline a solution strategy for this setting based on stochastic gradient Hamiltonian Monte Carlo sampling (SGHMC) which we alter to include an elastic coupling term that ties together multiple MCMC instances. The proposed strategy turns inherently sequential HMC algorithms into asynchronous parallel versions. First experiments empirically show that the resulting parallel sampler significantly speeds up exploration of the target distribution, when compared to standard SGHMC, and is less prone to the harmful effects of stale gradients than a naive parallelization approach.

stat.ML↗