arXiv subjects

Bernd Bischl

Publications and source records attributed to Bernd Bischl.

At least 145 records · Page 8Linked to original sources

arXiv2019

Variational Resampling Based Assessment of Deep Neural Networks under Distribution Shift

A novel variational inference based resampling framework is proposed to evaluate the robustness and generalization capability of deep learning models with respect to distribution shift. We use Auto Encoding Variational Bayes to find a latent representation of the data, on which a Variational Gaussian Mixture Model is applied to deliberately create distribution shift by dividing the dataset into different clusters. Wasserstein distance is used to characterize the extent of distribution shift between the generated data splits. We compare several popular Convolutional Neural Network (CNN) architectures and Bayesian CNN models for image classification on the Fashion-MNIST dataset, to assess their robustness and generalization behavior under the deliberately created distribution shift, as well as under random Cross Validation. Our method of creating artificial domain splits of a single dataset can also be used to establish novel model selection criteria and assessment tools in machine learning, as well as benchmark methods for domain adaptation and domain generalization approaches.

cs.LG↗

arXiv2019

Quantifying Model Complexity via Functional Decomposition for Better Post-Hoc Interpretability

Post-hoc model-agnostic interpretation methods such as partial dependence plots can be employed to interpret complex machine learning models. While these interpretation methods can be applied regardless of model complexity, they can produce misleading and verbose results if the model is too complex, especially w.r.t. feature interactions. To quantify the complexity of arbitrary machine learning models, we propose model-agnostic complexity measures based on functional decomposition: number of features used, interaction strength and main effect complexity. We show that post-hoc interpretation of models that minimize the three measures is more reliable and compact. Furthermore, we demonstrate the application of these measures in a multi-objective optimization approach which simultaneously minimizes loss and complexity.

stat.ML↗

arXiv2019

PS^2-Net: A Locally and Globally Aware Network for Point-Based Semantic Segmentation

In this paper, we present the PS^2-Net -- a locally and globally aware deep learning framework for semantic segmentation on 3D scene-level point clouds. In order to deeply incorporate local structures and global context to support 3D scene segmentation, our network is built on four repeatedly stacked encoders, where each encoder has two basic components: EdgeConv that captures local structures and NetVLAD that models global context. Different from existing start-of-the-art methods for point-based scene semantic segmentation that either violate or do not achieve permutation invariance, our PS^2-Net is designed to be permutation invariant which is an essential property of any deep network used to process unordered point clouds. We further provide theoretical proof to guarantee the permutation invariance property of our network. We perform extensive experiments on two large-scale 3D indoor scene datasets and demonstrate that our PS2-Net is able to achieve state-of-the-art performances as compared to existing approaches.

cs.CV↗

arXiv2019

High Dimensional Restrictive Federated Model Selection with multi-objective Bayesian Optimization over shifted distributions

A novel machine learning optimization process coined Restrictive Federated Model Selection (RFMS) is proposed under the scenario, for example, when data from healthcare units can not leave the site it is situated on and it is forbidden to carry out training algorithms on remote data sites due to either technical or privacy and trust concerns. To carry out a clinical research under this scenario, an analyst could train a machine learning model only on local data site, but it is still possible to execute a statistical query at a certain cost in the form of sending a machine learning model to some of the remote data sites and get the performance measures as feedback, maybe due to prediction being usually much cheaper. Compared to federated learning, which is optimizing the model parameters directly by carrying out training across all data sites, RFMS trains model parameters only on one local data site but optimizes hyper-parameters across other data sites jointly since hyper-parameters play an important role in machine learning performance. The aim is to get a Pareto optimal model with respective to both local and remote unseen prediction losses, which could generalize well across data sites. In this work, we specifically consider high dimensional data with shifted distributions over data sites. As an initial investigation, Bayesian Optimization especially multi-objective Bayesian Optimization is used to guide an adaptive hyper-parameter optimization process to select models under the RFMS scenario. Empirical results show that solely using the local data site to tune hyper-parameters generalizes poorly across data sites, compared to methods that utilize the local and remote performances. Furthermore, in terms of dominated hypervolumes, multi-objective Bayesian Optimization algorithms show increased performance across multiple data sites among other candidates.

cs.LG↗

arXiv2019

An Open Source AutoML Benchmark

In recent years, an active field of research has developed around automated machine learning (AutoML). Unfortunately, comparing different AutoML systems is hard and often done incorrectly. We introduce an open, ongoing, and extensible benchmark framework which follows best practices and avoids common mistakes. The framework is open-source, uses public datasets and has a website with up-to-date results. We use the framework to conduct a thorough comparison of 4 AutoML systems across 39 datasets and analyze the results.

cs.LG↗

arXiv2019

Wearable-based Parkinson's Disease Severity Monitoring using Deep Learning

One major challenge in the medication of Parkinson's disease is that the severity of the disease, reflected in the patients' motor state, cannot be measured using accessible biomarkers. Therefore, we develop and examine a variety of statistical models to detect the motor state of such patients based on sensor data from a wearable device. We find that deep learning models consistently outperform a classical machine learning model applied on hand-crafted features in this time series classification task. Furthermore, our results suggest that treating this problem as a regression instead of an ordinal regression or a classification task is most appropriate. For consistent model evaluation and training, we adopt the leave-one-subject-out validation scheme to the training of deep learning models. We also employ a class-weighting scheme to successfully mitigate the problem of high multi-class imbalances in this domain. In addition, we propose a customized performance measure that reflects the requirements of the involved medical staff on the model. To solve the problem of limited availability of high quality training data, we propose a transfer learning technique which helps to improve model performance substantially. Our results suggest that deep learning techniques offer a high potential to autonomously detect motor states of patients with Parkinson's disease.

cs.LG↗

arXiv2019

ReinBo: Machine Learning pipeline search and configuration with Bayesian Optimization embedded Reinforcement Learning

Machine learning pipeline potentially consists of several stages of operations like data preprocessing, feature engineering and machine learning model training. Each operation has a set of hyper-parameters, which can become irrelevant for the pipeline when the operation is not selected. This gives rise to a hierarchical conditional hyper-parameter space. To optimize this mixed continuous and discrete conditional hierarchical hyper-parameter space, we propose an efficient pipeline search and configuration algorithm which combines the power of Reinforcement Learning and Bayesian Optimization. Empirical results show that our method performs favorably compared to state of the art methods like Auto-sklearn , TPOT, Tree Parzen Window, and Random Search.

cs.LG↗

arXiv2019

Component-Wise Boosting of Targets for Multi-Output Prediction

Multi-output prediction deals with the prediction of several targets of possibly diverse types. One way to address this problem is the so called problem transformation method. This method is often used in multi-label learning, but can also be used for multi-output prediction due to its generality and simplicity. In this paper, we introduce an algorithm that uses the problem transformation method for multi-output prediction, while simultaneously learning the dependencies between target variables in a sparse and interpretable manner. In a first step, predictions are obtained for each target individually. Target dependencies are then learned via a component-wise boosting approach. We compare our new method with similar approaches in a benchmark using multi-label, multivariate regression and mixed-type datasets.

stat.ML↗

arXiv2019

Robust Anomaly Detection in Images using Adversarial Autoencoders

Reliably detecting anomalies in a given set of images is a task of high practical relevance for visual quality inspection, surveillance, or medical image analysis. Autoencoder neural networks learn to reconstruct normal images, and hence can classify those images as anomalies, where the reconstruction error exceeds some threshold. Here we analyze a fundamental problem of this approach when the training set is contaminated with a small fraction of outliers. We find that continued training of autoencoders inevitably reduces the reconstruction error of outliers, and hence degrades the anomaly detection performance. In order to counteract this effect, an adversarial autoencoder architecture is adapted, which imposes a prior distribution on the latent representation, typically placing anomalies into low likelihood-regions. Utilizing the likelihood model, potential anomalies can be identified and rejected already during training, which results in an anomaly detector that is significantly more robust to the presence of outliers during training.

cs.LG↗

arXiv2018

Visualizing the Feature Importance for Black Box Models

In recent years, a large amount of model-agnostic methods to improve the transparency, trustability and interpretability of machine learning models have been developed. We introduce local feature importance as a local version of a recent model-agnostic global feature importance method. Based on local feature importance, we propose two visual tools: partial importance (PI) and individual conditional importance (ICI) plots which visualize how changes in a feature affect the model performance on average, as well as for individual observations. Our proposed methods are related to partial dependence (PD) and individual conditional expectation (ICE) plots, but visualize the expected (conditional) feature importance instead of the expected (conditional) prediction. Furthermore, we show that averaging ICI curves across observations yields a PI curve, and integrating the PI curve with respect to the distribution of the considered feature results in the global feature importance. Another contribution of our paper is the Shapley feature importance, which fairly distributes the overall performance of a model among the features according to the marginal contributions and which can be used to compare the feature importance across different models.

stat.ML↗

arXiv2018

mlrMBO: A Modular Framework for Model-Based Optimization of Expensive Black-Box Functions

We present mlrMBO, a flexible and comprehensive R toolbox for model-based optimization (MBO), also known as Bayesian optimization, which addresses the problem of expensive black-box optimization by approximating the given objective function through a surrogate regression model. It is designed for both single- and multi-objective optimization with mixed continuous, categorical and conditional parameters. Additional features include multi-point batch proposal, parallelization, visualization, logging and error-handling. mlrMBO is implemented in a modular fashion, such that single components can be easily replaced or adapted by the user for specific use cases, e.g., any regression learner from the mlr toolbox for machine learning can be used, and infill criteria and infill optimizers are easily exchangeable. We empirically demonstrate that mlrMBO provides state-of-the-art performance by comparing it on different benchmark scenarios against a wide range of other optimizers, including DiceOptim, rBayesianOptimization, SPOT, SMAC, Spearmint, and Hyperopt.

stat.ML↗

arXiv2018

Tunability: Importance of Hyperparameters of Machine Learning Algorithms

Modern supervised machine learning algorithms involve hyperparameters that have to be set before running them. Options for setting hyperparameters are default values from the software package, manual configuration by the user or configuring them for optimal predictive performance by a tuning procedure. The goal of this paper is two-fold. Firstly, we formalize the problem of tuning from a statistical point of view, define data-based defaults and suggest general measures quantifying the tunability of hyperparameters of algorithms. Secondly, we conduct a large-scale benchmarking study based on 38 datasets from the OpenML platform and six common machine learning algorithms. We apply our measures to assess the tunability of their parameters. Our results yield default values for hyperparameters and enable users to decide whether it is worth conducting a possibly time consuming tuning strategy, to focus on the most important hyperparameters and to chose adequate hyperparameter spaces for tuning.

stat.ML↗

arXiv2018

Automatic Exploration of Machine Learning Experiments on OpenML

Understanding the influence of hyperparameters on the performance of a machine learning algorithm is an important scientific topic in itself and can help to improve automatic hyperparameter tuning procedures. Unfortunately, experimental meta data for this purpose is still rare. This paper presents a large, free and open dataset addressing this problem, containing results on 38 OpenML data sets, six different machine learning algorithms and many different hyperparameter configurations. Results where generated by an automated random sampling strategy, termed the OpenML Random Bot. Each algorithm was cross-validated up to 20.000 times per dataset with different hyperparameters settings, resulting in a meta dataset of around 2.5 million experiments overall.

stat.ML↗

arXiv2018

Automatic Gradient Boosting

Automatic machine learning performs predictive modeling with high performing machine learning tools without human interference. This is achieved by making machine learning applications parameter-free, i.e. only a dataset is provided while the complete model selection and model building process is handled internally through (often meta) optimization. Projects like Auto-WEKA and auto-sklearn aim to solve the Combined Algorithm Selection and Hyperparameter optimization (CASH) problem resulting in huge configuration spaces. However, for most real-world applications, the optimization over only a few different key learning algorithms can not only be sufficient, but also potentially beneficial. The latter becomes apparent when one considers that models have to be validated, explained, deployed and maintained. Here, less complex model are often preferred, for validation or efficiency reasons, or even a strict requirement. Automatic gradient boosting simplifies this idea one step further, using only gradient boosting as a single learning algorithm in combination with model-based hyperparameter tuning, threshold optimization and encoding of categorical features. We introduce this general framework as well as a concrete implementation called autoxgboost. It is compared to current AutoML projects on 16 datasets and despite its simplicity is able to achieve comparable results on about half of the datasets as well as performing best on two.

stat.ML↗

arXiv2017

OpenML: An R Package to Connect to the Machine Learning Platform OpenML

OpenML is an online machine learning platform where researchers can easily share data, machine learning tasks and experiments as well as organize them online to work and collaborate more efficiently. In this paper, we present an R package to interface with the OpenML platform and illustrate its usage in combination with the machine learning R package mlr. We show how the OpenML package allows R users to easily search, download and upload data sets and machine learning tasks. Furthermore, we also show how to upload results of experiments, share them with others and download results from other users. Beyond ensuring reproducibility of results, the OpenML platform automates much of the drudge work, speeds up research, facilitates collaboration and increases the users' visibility online.

stat.ML↗

arXiv2017

Multilabel Classification with R Package mlr

We implemented several multilabel classification algorithms in the machine learning package mlr. The implemented methods are binary relevance, classifier chains, nested stacking, dependent binary relevance and stacking, which can be used with any base learner that is accessible in mlr. Moreover, there is access to the multilabel classification versions of randomForestSRC and rFerns. All these methods can be easily compared by different implemented multilabel performance measures and resampling methods in the standardized mlr framework. In a benchmark experiment with several multilabel datasets, the performance of the different methods is evaluated.

stat.ML↗

arXiv2017

Probing for sparse and fast variable selection with model-based boosting

We present a new variable selection method based on model-based gradient boosting and randomly permuted variables. Model-based boosting is a tool to fit a statistical model while performing variable selection at the same time. A drawback of the fitting lies in the need of multiple model fits on slightly altered data (e.g. cross-validation or bootstrap) to find the optimal number of boosting iterations and prevent overfitting. In our proposed approach, we augment the data set with randomly permuted versions of the true variables, so called shadow variables, and stop the step-wise fitting as soon as such a variable would be added to the model. This allows variable selection in a single fit of the model without requiring further parameter tuning. We show that our probing approach can compete with state-of-the-art selection methods like stability selection in a high-dimensional classification benchmark and apply it on gene expression data for the estimation of riboflavin production of Bacillus subtilis.

stat.ML↗

arXiv2016

Stability selection for component-wise gradient boosting in multiple dimensions

We present a new algorithm for boosting generalized additive models for location, scale and shape (GAMLSS) that allows to incorporate stability selection, an increasingly popular way to obtain stable sets of covariates while controlling the per-family error rate (PFER). The model is fitted repeatedly to subsampled data and variables with high selection frequencies are extracted. To apply stability selection to boosted GAMLSS, we develop a new "noncyclical" fitting algorithm that incorporates an additional selection step of the best-fitting distribution parameter in each iteration. This new algorithms has the additional advantage that optimizing the tuning parameters of boosting is reduced from a multi-dimensional to a one-dimensional problem with vastly decreased complexity. The performance of the novel algorithm is evaluated in an extensive simulation study. We apply this new algorithm to a study to estimate abundance of common eider in Massachusetts, USA, featuring excess zeros, overdispersion, non-linearity and spatio-temporal structures. Eider abundance is estimated via boosted GAMLSS, allowing both mean and overdispersion to be regressed on covariates. Stability selection is used to obtain a sparse set of stable predictors.

stat.CO↗