Input Prioritization for Testing Neural Networks

Deep neural networks (DNNs) are increasingly being adopted for sensing and control functions in a variety of safety and mission-critical systems such as self-driving cars, autonomous air vehicles, medical diagnostics, and industrial robotics. Failures of such systems can lead to loss of life or property, which necessitates stringent verification and validation for providing high assurance. Though formal verification approaches are being investigated, testing remains the primary technique for assessing the dependability of such systems. Due to the nature of the tasks handled by DNNs, the cost of obtaining test oracle data---the expected output, a.k.a. label, for a given input---is high, which significantly impacts the amount and quality of testing that can be performed. Thus, prioritizing input data for testing DNNs in meaningful ways to reduce the cost of labeling can go a long way in increasing testing efficacy. This paper proposes using gauges of the DNN's sentiment derived from the computation performed by the model, as a means to identify inputs that are likely to reveal weaknesses. We empirically assessed the efficacy of three such sentiment measures for prioritization---confidence, uncertainty, and surprise---and compare their effectiveness in terms of their fault-revealing capability and retraining effectiveness. The results indicate that sentiment measures can effectively flag inputs that expose unacceptable DNN behavior. For MNIST models, the average percentage of inputs correctly flagged ranged from 88% to 94.8%

Deep learning extends de novo protein modelling coverage of genomes using iteratively predicted structural constraints

The inapplicability of amino acid covariation methods to small protein families has limited their use for structural annotation of whole genomes. Recently, deep learning has shown promise in allowing accurate residue-residue contact prediction even for shallow sequence alignments. Here we introduce DMPfold, which uses deep learning to predict inter-atomic distance bounds, the main chain hydrogen bond network, and torsion angles, which it uses to build models in an iterative fashion. DMPfold produces more accurate models than two popular methods for a test set of CASP12 domains, and works just as well for transmembrane proteins. Applied to all Pfam domains without known structures, confident models for 25% of these so-called dark families were produced in under a week on a small 200 core cluster. DMPfold provides models for 16% of human proteome UniProt entries without structures, generates accurate models with fewer than 100 sequences in some cases, and is freely available.Comment: JGG and SMK contributed equally to the wor

Quantitative toxicity prediction using topology based multi-task deep neural networks

The understanding of toxicity is of paramount importance to human health and environmental protection. Quantitative toxicity analysis has become a new standard in the field. This work introduces element specific persistent homology (ESPH), an algebraic topology approach, for quantitative toxicity prediction. ESPH retains crucial chemical information during the topological abstraction of geometric complexity and provides a representation of small molecules that cannot be obtained by any other method. To investigate the representability and predictive power of ESPH for small molecules, ancillary descriptors have also been developed based on physical models. Topological and physical descriptors are paired with advanced machine learning algorithms, such as deep neural network (DNN), random forest (RF) and gradient boosting decision tree (GBDT), to facilitate their applications to quantitative toxicity predictions. A topology based multi-task strategy is proposed to take the advantage of the availability of large data sets while dealing with small data sets. Four benchmark toxicity data sets that involve quantitative measurements are used to validate the proposed approaches. Extensive numerical studies indicate that the proposed topological learning methods are able to outperform the state-of-the-art methods in the literature for quantitative toxicity analysis. Our online server for computing element-specific topological descriptors (ESTDs) is available at http://weilab.math.msu.edu/TopTox/Comment: arXiv admin note: substantial text overlap with arXiv:1703.1095

DeepGauge: Multi-Granularity Testing Criteria for Deep Learning Systems

Deep learning (DL) defines a new data-driven programming paradigm that constructs the internal system logic of a crafted neuron network through a set of training data. We have seen wide adoption of DL in many safety-critical scenarios. However, a plethora of studies have shown that the state-of-the-art DL systems suffer from various vulnerabilities which can lead to severe consequences when applied to real-world applications. Currently, the testing adequacy of a DL system is usually measured by the accuracy of test data. Considering the limitation of accessible high quality test data, good accuracy performance on test data can hardly provide confidence to the testing adequacy and generality of DL systems. Unlike traditional software systems that have clear and controllable logic and functionality, the lack of interpretability in a DL system makes system analysis and defect detection difficult, which could potentially hinder its real-world deployment. In this paper, we propose DeepGauge, a set of multi-granularity testing criteria for DL systems, which aims at rendering a multi-faceted portrayal of the testbed. The in-depth evaluation of our proposed testing criteria is demonstrated on two well-known datasets, five DL systems, and with four state-of-the-art adversarial attack techniques against DL. The potential usefulness of DeepGauge sheds light on the construction of more generic and robust DL systems.Comment: The 33rd IEEE/ACM International Conference on Automated Software Engineering (ASE 2018