Evaluation of a Tree-based Pipeline Optimization Tool for Automating Data Science

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.Comment: 8 pages, 5 figures, preprint to appear in GECCO 2016, edits not yet made from reviewer comment

Separation of pulsar signals from noise with supervised machine learning algorithms

We evaluate the performance of four different machine learning (ML) algorithms: an Artificial Neural Network Multi-Layer Perceptron (ANN MLP ), Adaboost, Gradient Boosting Classifier (GBC), XGBoost, for the separation of pulsars from radio frequency interference (RFI) and other sources of noise, using a dataset obtained from the post-processing of a pulsar search pi peline. This dataset was previously used for cross-validation of the SPINN-based machine learning engine, used for the reprocessing of HTRU-S survey data arXiv:1406.3627. We have used Synthetic Minority Over-sampling Technique (SMOTE) to deal with high class imbalance in the dataset. We report a variety of quality scores from all four of these algorithms on both the non-SMOTE and SMOTE datasets. For all the above ML methods, we report high accuracy and G-mean in both the non-SMOTE and SMOTE cases. We study the feature importances using Adaboost, GBC, and XGBoost and also from the minimum Redundancy Maximum Relevance approach to report algorithm-agnostic feature ranking. From these methods, we find that the signal to noise of the folded profile to be the best feature. We find that all the ML algorithms report FPRs about an order of magnitude lower than the corresponding FPRs obtained in arXiv:1406.3627, for the same recall value.Comment: 14 pages, 2 figures. Accepted for publication in Astronomy and Computin

Automating biomedical data science through tree-based pipeline optimization

Over the past decade, data science and machine learning has grown from a mysterious art form to a staple tool across a variety of fields in academia, business, and government. 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 a Tree-based Pipeline Optimization Tool (TPOT) and demonstrate its effectiveness on a series of simulated and real-world genetic data sets. In particular, we show that TPOT can build machine learning pipelines that achieve competitive classification accuracy and discover novel pipeline operators---such as synthetic feature constructors---that significantly improve classification accuracy on these data sets. We also highlight the current challenges to pipeline optimization, such as the tendency to produce pipelines that overfit the data, and suggest future research paths to overcome these challenges. As such, this work represents an early step toward fully automating machine learning pipeline design.Comment: 16 pages, 5 figures, to appear in EvoBIO 2016 proceeding

Building more accurate decision trees with the additive tree.

The expansion of machine learning to high-stakes application domains such as medicine, finance, and criminal justice, where making informed decisions requires clear understanding of the model, has increased the interest in interpretable machine learning. The widely used Classification and Regression Trees (CART) have played a major role in health sciences, due to their simple and intuitive explanation of predictions. Ensemble methods like gradient boosting can improve the accuracy of decision trees, but at the expense of the interpretability of the generated model. Additive models, such as those produced by gradient boosting, and full interaction models, such as CART, have been investigated largely in isolation. We show that these models exist along a spectrum, revealing previously unseen connections between these approaches. This paper introduces a rigorous formalization for the additive tree, an empirically validated learning technique for creating a single decision tree, and shows that this method can produce models equivalent to CART or gradient boosted stumps at the extremes by varying a single parameter. Although the additive tree is designed primarily to provide both the model interpretability and predictive performance needed for high-stakes applications like medicine, it also can produce decision trees represented by hybrid models between CART and boosted stumps that can outperform either of these approaches

Classification hardness for supervised learners on 20 years of intrusion detection data

This article consolidates analysis of established (NSL-KDD) and new intrusion detection datasets (ISCXIDS2012, CICIDS2017, CICIDS2018) through the use of supervised machine learning (ML) algorithms. The uniformity in analysis procedure opens up the option to compare the obtained results. It also provides a stronger foundation for the conclusions about the efficacy of supervised learners on the main classification task in network security. This research is motivated in part to address the lack of adoption of these modern datasets. Starting with a broad scope that includes classification by algorithms from different families on both established and new datasets has been done to expand the existing foundation and reveal the most opportune avenues for further inquiry. After obtaining baseline results, the classification task was increased in difficulty, by reducing the available data to learn from, both horizontally and vertically. The data reduction has been included as a stress-test to verify if the very high baseline results hold up under increasingly harsh constraints. Ultimately, this work contains the most comprehensive set of results on the topic of intrusion detection through supervised machine learning. Researchers working on algorithmic improvements can compare their results to this collection, knowing that all results reported here were gathered through a uniform framework. This work's main contributions are the outstanding classification results on the current state of the art datasets for intrusion detection and the conclusion that these methods show remarkable resilience in classification performance even when aggressively reducing the amount of data to learn from