Many visual analytics systems allow users to interact with machine learning models towards the goals of data exploration and insight generation on a given dataset. However, in some situations, insights may be less important than the production of an accurate predictive model for future use. In that case, users are more interested in generating of diverse and robust predictive models, verifying their performance on holdout data, and selecting the most suitable model for their usage scenario. In this paper, we consider the concept of Exploratory Model Analysis (EMA), which is defined as the process of discovering and selecting relevant models that can be used to make predictions on a data source. We delineate the differences between EMA and the well-known term exploratory data analysis in terms of the desired outcome of the analytic process: insights into the data or a set of deployable models. The contributions of this work are a visual analytics system workflow for EMA, a user study, and two use cases validating the effectiveness of the workflow. We found that our system workflow enabled users to generate complex models, to assess them for various qualities, and to select the most relevant model for their task.
AutoML serves as the bridge between varying levels of expertise when designing machine learning systems and expedites the data science process. A wide range of techniques is taken to address this, however there does not exist an objective comparison of these techniques. We present a benchmark of current open source AutoML solutions using open source datasets. We test auto-sklearn, TPOT, auto_ml, and H2O's AutoML solution against a compiled set of regression and classification datasets sourced from OpenML and find that auto-sklearn performs the best across classification datasets and TPOT performs the best across regression datasets.
Algorithm selection and hyperparameter tuning remain two of the most challenging tasks in machine learning. Automated machine learning (AutoML) seeks to automate these tasks to enable widespread use of machine learning by non-experts. This paper introduces OBOE, a collaborative filtering method for time-constrained model selection and hyperparameter tuning. OBOE forms a matrix of the cross-validated errors of a large number of supervised learning models (algorithms together with hyperparameters) on a large number of datasets, and fits a low rank model to learn the low-dimensional feature vectors for the models and datasets that best predict the cross-validated errors. To find promising models for a new dataset, OBOE runs a set of fast but informative algorithms on the new dataset and uses their cross-validated errors to infer the feature vector for the new dataset. OBOE can find good models under constraints on the number of models fit or the total time budget. To this end, this paper develops a new heuristic for active learning in time-constrained matrix completion based on optimal experiment design. Our experiments demonstrate that OBOE delivers state-of-the-art performance faster than competing approaches on a test bed of supervised learning problems. Moreover, the success of the bilinear model used by OBOE suggests that AutoML may be simpler than was previously understood.
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.
Neural architecture search (NAS) has been proposed to automatically tune deep neural networks, but existing search algorithms, e.g., NASNet, PNAS, usually suffer from expensive computational cost. Network morphism, which keeps the functionality of a neural network while changing its neural architecture, could be helpful for NAS by enabling more efficient training during the search. In this paper, we propose a novel framework enabling Bayesian optimization to guide the network morphism for efficient neural architecture search. The framework develops a neural network kernel and a tree-structured acquisition function optimization algorithm to efficiently explores the search space. Intensive experiments on real-world benchmark datasets have been done to demonstrate the superior performance of the developed framework over the state-of-the-art methods. Moreover, we build an open-source AutoML system based on our method, namely Auto-Keras. The system runs in parallel on CPU and GPU, with an adaptive search strategy for different GPU memory limits.
In this paper, we propose AutoCompete, a highly automated machine learning framework for tackling machine learning competitions. This framework has been learned by us, validated and improved over a period of more than two years by participating in online machine learning competitions. It aims at minimizing human interference required to build a first useful predictive model and to assess the practical difficulty of a given machine learning challenge. The proposed system helps in identifying data types, choosing a machine learn- ing model, tuning hyper-parameters, avoiding over-fitting and optimization for a provided evaluation metric. We also observe that the proposed system produces better (or comparable) results with less runtime as compared to other approaches.
As the field of data science continues to grow, there will be an ever-increasing demand for tools that make machine learning accessible to non-experts. In this paper, we introduce the concept of tree-based pipeline optimization for automating one of the most tedious parts of machine learning---pipeline design. We implement an open source Tree-based Pipeline Optimization Tool (TPOT) in Python and demonstrate its effectiveness on a series of simulated and real-world benchmark data sets. In particular, we show that TPOT can design machine learning pipelines that provide a significant improvement over a basic machine learning analysis while requiring little to no input nor prior knowledge from the user. We also address the tendency for TPOT to design overly complex pipelines by integrating Pareto optimization, which produces compact pipelines without sacrificing classification accuracy. As such, this work represents an important step toward fully automating machine learning pipeline design.
As data science continues to grow in popularity, there will be an increasing need to make data science tools more scalable, flexible, and accessible. In particular, automated machine learning (AutoML) systems seek to automate the process of designing and optimizing machine learning pipelines. In this chapter, we present a genetic programming-based AutoML system called TPOT that optimizes a series of feature preprocessors and machine learning models with the goal of maximizing classification accuracy on a supervised classification problem. Further, we analyze a large database of pipelines that were previously used to solve various supervised classification problems and identify 100 short series of machine learning operations that appear the most frequently, which we call the building blocks of machine learning pipelines. We harness these building blocks to initialize TPOT with promising solutions, and find that this sensible initialization method significantly improves TPOT's performance on one benchmark at no cost of significantly degrading performance on the others. Thus, sensible initialization with machine learning pipeline building blocks shows promise for GP-based AutoML systems, and should be further refined in future work.
Imbalanced-learn is an open-source python toolbox aiming at providing a wide range of methods to cope with the problem of imbalanced dataset frequently encountered in machine learning and pattern recognition. The implemented state-of-the-art methods can be categorized into 4 groups: (i) under-sampling, (ii) over-sampling, (iii) combination of over- and under-sampling, and (iv) ensemble learning methods. The proposed toolbox only depends on numpy, scipy, and scikit-learn and is distributed under MIT license. Furthermore, it is fully compatible with scikit-learn and is part of the scikit-learn-contrib supported project. Documentation, unit tests as well as integration tests are provided to ease usage and contribution. The toolbox is publicly available in GitHub: https://github.com/scikit-learn-contrib/imbalanced-learn.
Machine Learning (ML) has been successfully applied to a wide range of domains and applications. One of the techniques behind most of these successful applications is Ensemble Learning (EL), the field of ML that gave birth to methods such as Random Forests or Boosting. The complexity of applying these techniques together with the market scarcity on ML experts, has created the need for systems that enable a fast and easy drop-in replacement for ML libraries. Automated machine learning (autoML) is the field of ML that attempts to answers these needs. Typically, these systems rely on optimization techniques such as bayesian optimization to lead the search for the best model. Our approach differs from these systems by making use of the most recent advances on metalearning and a learning to rank approach to learn from metadata. We propose autoBagging, an autoML system that automatically ranks 63 bagging workflows by exploiting past performance and dataset characterization. Results on 140 classification datasets from the OpenML platform show that autoBagging can yield better performance than the Average Rank method and achieve results that are not statistically different from an ideal model that systematically selects the best workflow for each dataset. For the purpose of reproducibility and generalizability, autoBagging is publicly available as an R package on CRAN.
With the maturation of metabolomics science and proliferation of biobanks, clinical metabolic profiling is an increasingly opportunistic frontier for advancing translational clinical research. Automated Machine Learning (AutoML) approaches provide exciting opportunity to guide feature selection in agnostic metabolic profiling endeavors, where potentially thousands of independent data points must be evaluated. In previous research, AutoML using high-dimensional data of varying types has been demonstrably robust, outperforming traditional approaches. However, considerations for application in clinical metabolic profiling remain to be evaluated. Particularly, regarding the robustness of AutoML to identify and adjust for common clinical confounders. In this study, we present a focused case study regarding AutoML considerations for using the Tree-Based Optimization Tool (TPOT) in metabolic profiling of exposure to metformin in a biobank cohort. First, we propose a tandem rank-accuracy measure to guide agnostic feature selection and corresponding threshold determination in clinical metabolic profiling endeavors. Second, while AutoML, using default parameters, demonstrated potential to lack sensitivity to low-effect confounding clinical covariates, we demonstrated residual training and adjustment of metabolite features as an easily applicable approach to ensure AutoML adjustment for potential confounding characteristics. Finally, we present increased homocysteine with long-term exposure to metformin as a potentially novel, non-replicated metabolite association suggested by TPOT; an association not identified in parallel clinical metabolic profiling endeavors. While considerations are recommended, including adjustment approaches for clinical confounders, AutoML presents an exciting tool to enhance clinical metabolic profiling and advance translational research endeavors.
Model compression is a critical technique to efficiently deploy neural network models on mobile devices which have limited computation resources and tight power budgets. Conventional model compression techniques rely on hand-crafted heuristics and rule-based policies that require domain experts to explore the large design space trading off among model size, speed, and accuracy, which is usually sub-optimal and time-consuming. In this paper, we propose AutoML for Model Compression (AMC) which leverage reinforcement learning to provide the model compression policy. This learning-based compression policy outperforms conventional rule-based compression policy by having higher compression ratio, better preserving the accuracy and freeing human labor. Under 4x FLOPs reduction, we achieved 2.7% better accuracy than the handcrafted model compression policy for VGG-16 on ImageNet. We applied this automated, push-the-button compression pipeline to MobileNet and achieved 1.81x speedup of measured inference latency on an Android phone and 1.43x speedup on the Titan XP GPU, with only 0.1% loss of ImageNet Top-1 accuracy.
We introduce an automatic machine learning (AutoML) modeling architecture called Autostacker, which combines an innovative hierarchical stacking architecture and an Evolutionary Algorithm (EA) to perform efficient parameter search. Neither prior domain knowledge about the data nor feature preprocessing is needed. Using EA, Autostacker quickly evolves candidate pipelines with high predictive accuracy. These pipelines can be used as is or as a starting point for human experts to build on. Autostacker finds innovative combinations and structures of machine learning models, rather than selecting a single model and optimizing its hyperparameters. Compared with other AutoML systems on fifteen datasets, Autostacker achieves state-of-art or competitive performance both in terms of test accuracy and time cost.
With the demand for machine learning increasing, so does the demand for tools which make it easier to use. Automated machine learning (AutoML) tools have been developed to address this need, such as the Tree-Based Pipeline Optimization Tool (TPOT) which uses genetic programming to build optimal pipelines. We introduce Layered TPOT, a modification to TPOT which aims to create pipelines equally good as the original, but in significantly less time. This approach evaluates candidate pipelines on increasingly large subsets of the data according to their fitness, using a modified evolutionary algorithm to allow for separate competition between pipelines trained on different sample sizes. Empirical evaluation shows that, on sufficiently large datasets, Layered TPOT indeed finds better models faster.
We reduce the computational cost of Neural AutoML with transfer learning. AutoML relieves human effort by automating the design of ML algorithms. Neural AutoML has become popular for the design of deep learning architectures, however, this method has a high computation cost. To address this we propose Transfer Neural AutoML that uses knowledge from prior tasks to speed up network design. We extend RL-based architecture search methods to support parallel training on multiple tasks and then transfer the search strategy to new tasks. On language and image classification tasks, Transfer Neural AutoML reduces convergence time over single-task training by over an order of magnitude on many tasks.
Big data analytics is gaining massive momentum in the last few years. Applying machine learning models to big data has become an implicit requirement or an expectation for most analysis tasks, especially on high-stakes applications.Typical applications include sentiment analysis against reviews for analyzing on-line products, image classification in food logging applications for monitoring user's daily intake and stock movement prediction. Extending traditional database systems to support the above analysis is intriguing but challenging. First, it is almost impossible to implement all machine learning models in the database engines. Second, expertise knowledge is required to optimize the training and inference procedures in terms of efficiency and effectiveness, which imposes heavy burden on the system users. In this paper, we develop and present a system, called Rafiki, to provide the training and inference service of machine learning models, and facilitate complex analytics on top of cloud platforms. Rafiki provides distributed hyper-parameter tuning for the training service, and online ensemble modeling for the inference service which trades off between latency and accuracy. Experimental results confirm the efficiency, effectiveness, scalability and usability of Rafiki.
AutoML has become a popular service that is provided by most leading cloud service providers today. In this paper, we focus on the AutoML problem from the \emph{service provider's perspective}, motivated by the following practical consideration: When an AutoML service needs to serve {\em multiple users} with {\em multiple devices} at the same time, how can we allocate these devices to users in an efficient way? We focus on GP-EI, one of the most popular algorithms for automatic model selection and hyperparameter tuning, used by systems such as Google Vizer. The technical contribution of this paper is the first multi-device, multi-tenant algorithm for GP-EI that is aware of \emph{multiple} computation devices and multiple users sharing the same set of computation devices. Theoretically, given $N$ users and $M$ devices, we obtain a regret bound of $O((\text{\bf {MIU}}(T,K) + M)\frac{N^2}{M})$, where $\text{\bf {MIU}}(T,K)$ refers to the maximal incremental uncertainty up to time $T$ for the covariance matrix $K$. Empirically, we evaluate our algorithm on two applications of automatic model selection, and show that our algorithm significantly outperforms the strategy of serving users independently. Moreover, when multiple computation devices are available, we achieve near-linear speedup when the number of users is much larger than the number of devices.