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Model-Form Epistemic Uncertainty Quantification for Modeling with Differential Equations: Application to Epidemiology

Acquesta, Erin A.; Portone, Teresa P.; Dandekar, Raj D.; Rackauckas, Chris R.; Bandy, Rileigh J.; Huerta, Jose G.; Dytzel, India L.

Modeling real-world phenomena to any degree of accuracy is a challenge that the scientific research community has navigated since its foundation. Lack of information and limited computational and observational resources necessitate modeling assumptions which, when invalid, lead to model-form error (MFE). The work reported herein explored a novel method to represent model-form uncertainty (MFU) that combines Bayesian statistics with the emerging field of universal differential equations (UDEs). The fundamental principle behind UDEs is simple: use known equational forms that govern a dynamical system when you have them; then incorporate data-driven approaches – in this case neural networks (NNs) – embedded within the governing equations to learn the interacting terms that were underrepresented. Utilizing epidemiology as our motivating exemplar, this report will highlight the challenges of modeling novel infectious diseases while introducing ways to incorporate NN approximations to MFE. Prior to embarking on a Bayesian calibration, we first explored methods to augment the standard (non-Bayesian) UDE training procedure to account for uncertainty and increase robustness of training. In addition, it is often the case that uncertainty in observations is significant; this may be due to randomness or lack of precision in the measurement process. This uncertainty typically manifests as “noisy” observations which deviate from a true underlying signal. To account for such variability, the NN approximation to MFE is endowed with a probabilistic representation and is updated using available observational data in a Bayesian framework. By representing the MFU explicitly and deploying an embedded, data-driven model, this approach enables an agile, expressive, and interpretable method for representing MFU. In this report we will provide evidence that Bayesian UDEs show promise as a novel framework for any science-based, data-driven MFU representation; while emphasizing that significant advances must be made in the calibration of Bayesian NNs to ensure a robust calibration procedure.

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SAGE Intrusion Detection System: Sensitivity Analysis Guided Explainability for Machine Learning

Smith, Michael R.; Acquesta, Erin A.; Ames, Arlo L.; Carey, Alycia N.; Cueller, Christopher R.; Field, Richard V.; Maxfield, Trevor M.; Mitchell, Scott A.; Morris, Elizabeth S.; Moss, Blake C.; Nyre-Yu, Megan N.; Rushdi, Ahmad R.; Stites, Mallory C.; Smutz, Charles S.; Zhou, Xin Z.

This report details the results of a three-fold investigation of sensitivity analysis (SA) for machine learning (ML) explainability (MLE): (1) the mathematical assessment of the fidelity of an explanation with respect to a learned ML model, (2) quantifying the trustworthiness of a prediction, and (3) the impact of MLE on the efficiency of end-users through multiple users studies. We focused on the cybersecurity domain as the data is inherently non-intuitive. As ML is being using in an increasing number of domains, including domains where being wrong can elicit high consequences, MLE has been proposed as a means of generating trust in a learned ML models by end users. However, little analysis has been performed to determine if the explanations accurately represent the target model and they themselves should be trusted beyond subjective inspection. Current state-of-the-art MLE techniques only provide a list of important features based on heuristic measures and/or make certain assumptions about the data and the model which are not representative of the real-world data and models. Further, most are designed without considering the usefulness by an end-user in a broader context. To address these issues, we present a notion of explanation fidelity based on Shapley values from cooperative game theory. We find that all of the investigated MLE explainability methods produce explanations that are incongruent with the ML model that is being explained. This is because they make critical assumptions about feature independence and linear feature interactions for computational reasons. We also find that in deployed, explanations are rarely used due to a variety of reason including that there are several other tools which are trusted more than the explanations and there is little incentive to use the explanations. In the cases when the explanations are used, we found that there is the danger that explanations persuade the end users to wrongly accept false positives and false negatives. However, ML model developers and maintainers find the explanations more useful to help ensure that the ML model does not have obvious biases. In light of these findings, we suggest a number of future directions including developing MLE methods that directly model non-linear model interactions and including design principles that take into account the usefulness of explanations to the end user. We also augment explanations with a set of trustworthiness measures that measure geometric aspects of the data to determine if the model output should be trusted.

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Detailed Statistical Models of Host-Based Data for Detection of Malicious Activity

Acquesta, Erin A.; Chen, Guenevere C.; Adams, Susan S.; Bryant, Ross D.; Haas, Jason J.; Johnson, Nicholas T.; Romanowich, Paul R.; Roy, Krishna C.; Shakamuri, Mayuri S.; Ting, Christina T.

The cybersecurity research community has focused primarily on the analysis and automation of intrusion detection systems by examining network traffic behaviors. Expanding on this expertise, advanced cyber defense analysis is turning to host-based data to use in research and development to produce the next generation network defense tools. The ability to perform deep packet inspection of network traffic is increasingly harder with most boundary network traffic moving to HTTPS. Additionally, network data alone does not provide a full picture of end-to-end activity. These are some of the reasons that necessitate looking at other data sources such as host data. We outline our investigation into the processing, formatting, and storing of the data along with the preliminary results from our exploratory data analysis. In writing this report, it is our goal to aid in guiding future research by providing foundational understanding for an area of cybersecurity that is rich with a variety of complex, categorical, and sparse data, with a strong human influence component. Including suggestions for guiding potential directions for future research.

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Review of Tracktable for Satellite Maneuver Detection

Acquesta, Erin A.; Valicka, Christopher G.; Hinga, Mark B.; Helinski, Carollan B.

As a tool developed to translate geospatial data into geometrical descriptors, Tracktable offers a highly efficient means to detect anomalous flight and maritime behavior. Following the success of using geometrical descriptors for detecting anomalous trajectory behavior, the question of whether Tracktable could be used to detect satellite maneuvers arose. In answering this question, this re- port will introduce a brief description of how Tracktable has been used in the past, along with an introduction to the fundamental properties of astrodynamics for satellite trajectories. This will then allow us to compare the two problem spaces, addressing how easily the methods used by Tracktable will translate to orbital mechanics. Based on these results, we will then be able to out- line the current limitations as well as possible path forward for using Tracktable to detect satellite maneuvers.

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19 Results
19 Results