The Selectivity and Competition of the Mind's Eye in Visual Perception

Research has shown that neurons within the brain are selective to certain stimuli. For example, the fusiform face area (FFA) region is known by neuroscientists to selectively activate when people see faces over non-face objects. However, the mechanisms by which the primary visual system directs information to the correct higher levels of the brain are currently unknown. In our work, we advance the understanding of the neural mechanisms of perception by creating a novel computational model that incorporates lateral and top down feedback in the form of hierarchical competition. We show that these elements can help explain the information flow and selectivity of high level areas within the brain. Additionally, we present both quantitative and qualitative results that demonstrate consistency with general themes and specific responses observed in the visual system. Finally, we show that our generative framework enables a wide range of applications in computer vision, including overcoming issues of bias that have been discovered in standard deep learning models.

Scenic: A Language for Scenario Specification and Data Generation

We propose a new probabilistic programming language for the design and analysis of cyber-physical systems, especially those based on machine learning. Specifically, we consider the problems of training a system to be robust to rare events, testing its performance under different conditions, and debugging failures. We show how a probabilistic programming language can help address these problems by specifying distributions encoding interesting types of inputs, then sampling these to generate specialized training and test data. More generally, such languages can be used to write environment models, an essential prerequisite to any formal analysis. In this paper, we focus on systems like autonomous cars and robots, whose environment at any point in time is a 'scene', a configuration of physical objects and agents. We design a domain-specific language, Scenic, for describing scenarios that are distributions over scenes and the behaviors of their agents over time. As a probabilistic programming language, Scenic allows assigning distributions to features of the scene, as well as declaratively imposing hard and soft constraints over the scene. We develop specialized techniques for sampling from the resulting distribution, taking advantage of the structure provided by Scenic's domain-specific syntax. Finally, we apply Scenic in a case study on a convolutional neural network designed to detect cars in road images, improving its performance beyond that achieved by state-of-the-art synthetic data generation methods.

Formal Scenario-Based Testing of Autonomous Vehicles: From Simulation to the Real World

We present a new approach to automated scenario-based testing of the safety of autonomous vehicles, especially those using advanced artificial intelligence-based components, spanning both simulation-based evaluation as well as testing in the real world. Our approach is based on formal methods, combining formal specification of scenarios and safety properties, algorithmic test case generation using formal simulation, test case selection for track testing, executing test cases on the track, and analyzing the resulting data. Experiments with a real autonomous vehicle at an industrial testing ground support our hypotheses that (i) formal simulation can be effective at identifying test cases to run on the track, and (ii) the gap between simulated and real worlds can be systematically evaluated and bridged.

A Programmatic and Semantic Approach to Explaining and DebuggingNeural Network Based Object Detectors

Even as deep neural networks have become very effective for tasks in vision and perception, it remains difficult to explain and debug their behavior. In this paper, we present a programmatic and semantic approach to explaining, understanding, and debugging the correct and incorrect behaviors of a neural network based perception system. Our approach is semantic in that it employs a high-level representation of the distribution of environment scenarios that the detector is intended to work on. It is programmatic in that the representation is a program in a domain-specific probabilistic programming language using which synthetic data can be generated to train and test the neural network. We present a framework that assesses the performance of the neural network to identify correct and incorrect detections, extracts rules from those results that semantically characterizes the correct and incorrect scenarios, and then specializes the probabilistic program with those rules in order to more precisely characterize the scenarios in which the neural network operates correctly or not, without human intervention to identify important features. We demonstrate our results using the SCENIC probabilistic programming language and a neural network-based object detector. Our experiments show that it is possible to automatically generate compact rules that significantly increase the correct detection rate (or conversely the incorrect detection rate) of the network and can thus help with debugging and understanding its behavior.

Machine-learned metrics for predicting the likelihood of success in materials discovery

Materials discovery is often compared to the challenge of finding a needle in a haystack. While much work has focused on accurately predicting the properties of candidate materials with machine learning (ML), which amounts to evaluating whether a given candidate is a piece of straw or a needle, less attention has been paid to a critical question: Are we searching in the right haystack? We refer to the haystack as the design space for a particular materials discovery problem (i.e. the set of possible candidate materials to synthesize), and thus frame this question as one of design space selection. In this paper, we introduce two metrics, the Predicted Fraction of Improved Candidates (PFIC), and the Cumulative Maximum Likelihood of Improvement (CMLI), which we demonstrate can identify discovery-rich and discovery-poor design spaces, respectively. Using CMLI and PFIC together to identify optimal design spaces can significantly accelerate ML-driven materials discovery.

Machine-learned metrics for predicting thelikelihood of success in materials discovery

Materials discovery is often compared to the challenge of finding a needle in a haystack. While much work has focused on accurately predicting the properties of candidate materials with machine learning (ML), which amounts to evaluating whether a given candidate is a piece of straw or a needle, less attention has been paid to a critical question: Are we searching in the right haystack? We refer to the haystack as the design space for a particular materials discovery problem (i.e. the set of possible candidate materials to synthesize), and thus frame this question as one of design space selection. In this paper, we introduce two metrics, the Predicted Fraction of Improved Candidates (PFIC), and the Cumulative Maximum Likelihood of Improvement (CMLI), which we demonstrate can identify discovery-rich and discovery-poor design spaces, respectively. Using CMLI and PFIC together to identify optimal design spaces can significantly accelerate ML-driven materials discovery.

The Materials Science Procedural Text Corpus: Annotating Materials Synthesis Procedures with Shallow Semantic Structures

Materials science literature contains millions of materials synthesis procedures described in unstructured natural language text. Large-scale analysis of these synthesis procedures would facilitate deeper scientific understanding of materials synthesis and enable automated synthesis planning. Such analysis requires extracting structured representations of synthesis procedures from the raw text as a first step. To facilitate the training and evaluation of synthesis extraction models, we introduce a dataset of 230 synthesis procedures annotated by domain experts with labeled graphs that express the semantics of the synthesis sentences. The nodes in this graph are synthesis operations and their typed arguments, and labeled edges specify relations between the nodes. We describe this new resource in detail and highlight some specific challenges to annotating scientific text with shallow semantic structure. We make the corpus available to the community to promote further research and development of scientific information extraction systems.

VERIFAI: A Toolkit for the Design and Analysis of Artificial Intelligence-Based Systems

We present VERIFAI, a software toolkit for the formal design and analysis of systems that include artificial intelligence (AI) and machine learning (ML) components. VERIFAI particularly seeks to address challenges with applying formal methods to perception and ML components, including those based on neural networks, and to model and analyze system behavior in the presence of environment uncertainty. We describe the initial version of VERIFAI which centers on simulation guided by formal models and specifications. Several use cases are illustrated with examples, including temporal-logic falsification, model-based systematic fuzz testing, parameter synthesis, counterexample analysis, and data set augmentation.

Inorganic Materials Synthesis Planning with Literature-Trained Neural Networks

Leveraging new data sources is a key step in accelerating the pace of materials design and discovery. To complement the strides in synthesis planning driven by historical, experimental, and computed data, we present an automated method for connecting scientific literature to synthesis insights. Starting from natural language text, we apply word embeddings from language models, which are fed into a named entity recognition model, upon which a conditional variational autoencoder is trained to generate syntheses for arbitrary materials. We show the potential of this technique by predicting precursors for two perovskite materials, using only training data published over a decade prior to their first reported syntheses. We demonstrate that the model learns representations of materials corresponding to synthesis-related properties, and that the model's behavior complements existing thermodynamic knowledge. Finally, we apply the model to perform synthesizability screening for proposed novel perovskite compounds.

Classifiers Based on Deep Sparse Coding Architectures are Robust to Deep Learning Transferable Examples

Although deep learning has shown great success in recent years, researchers have discovered a critical flaw where small, imperceptible changes in the input to the system can drastically change the output classification. These attacks are exploitable in nearly all of the existing deep learning classification frameworks. However, the susceptibility of deep sparse coding models to adversarial examples has not been examined. Here, we show that classifiers based on a deep sparse coding model whose classification accuracy is competitive with a variety of deep neural network models are robust to adversarial examples that effectively fool those same deep learning models. We demonstrate both quantitatively and qualitatively that the robustness of deep sparse coding models to adversarial examples arises from two key properties. First, because deep sparse coding models learn general features corresponding to generators of the dataset as a whole, rather than highly discriminative features for distinguishing specific classes, the resulting classifiers are less dependent on idiosyncratic features that might be more easily exploited. Second, because deep sparse coding models utilize fixed point attractor dynamics with top-down feedback, it is more difficult to find small changes to the input that drive the resulting representations out of the correct attractor basin.