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Numerical simulations of high energy-density experiments require equation of state (EOS) models that relate a material's thermodynamic state variables -- specifically pressure, volume/density, energy, and temperature. EOS models are typically constructed using a semi-empirical parametric methodology, which assumes a physics-informed functional form with many tunable parameters calibrated using experimental/simulation data. Since there are inherent uncertainties in the calibration data (parametric uncertainty) and the assumed functional EOS form (model uncertainty), it is essential to perform uncertainty quantification (UQ) to improve confidence in the EOS predictions. Model uncertainty is challenging for UQ studies since it requires exploring the space of all possible physically consistent functional forms. Thus, it is often neglected in favor of parametric uncertainty, which is easier to quantify without violating thermodynamic laws. This work presents a data-driven machine learning approach to constructing EOS models that naturally captures model uncertainty while satisfying the necessary thermodynamic consistency and stability constraints. We propose a novel framework based on physics-informed Gaussian process regression (GPR) that automatically captures total uncertainty in the EOS and can be jointly trained on both simulation and experimental data sources. A GPR model for the shock Hugoniot is derived and its uncertainties are quantified using the proposed framework. We apply the proposed model to learn the EOS for the diamond solid state of carbon, using both density functional theory data and experimental shock Hugoniot data to train the model and show that the prediction uncertainty reduces by considering the thermodynamic constraints.

Artificial intelligence represents a new frontier in human medicine that could save more lives and reduce the costs, thereby increasing accessibility. As a consequence, the rate of advancement of AI in cancer medical imaging and more particularly tissue pathology has exploded, opening it to ethical and technical questions that could impede its adoption into existing systems. In order to chart the path of AI in its application to cancer tissue imaging, we review current work and identify how it can improve cancer pathology diagnostics and research. In this review, we identify 5 core tasks that models are developed for, including regression, classification, segmentation, generation, and compression tasks. We address the benefits and challenges that such methods face, and how they can be adapted for use in cancer prevention and treatment. The studies looked at in this paper represent the beginning of this field and future experiments will build on the foundations that we highlight.

Twin revolutions in wearable technologies and smartphone-delivered digital health interventions have significantly expanded the accessibility and uptake of mobile health (mHealth) interventions across various health science domains. Sequentially randomized experiments called micro-randomized trials (MRTs) have grown in popularity to empirically evaluate the effectiveness of these mHealth intervention components. MRTs have given rise to a new class of causal estimands known as "causal excursion effects", which enable health scientists to assess how intervention effectiveness changes over time or is moderated by individual characteristics, context, or responses in the past. However, current data analysis methods for estimating causal excursion effects require pre-specified features of the observed high-dimensional history to construct a working model of an important nuisance parameter. While machine learning algorithms are ideal for automatic feature construction, their naive application to causal excursion estimation can lead to bias under model misspecification, potentially yielding incorrect conclusions about intervention effectiveness. To address this issue, this paper revisits the estimation of causal excursion effects from a meta-learner perspective, where the analyst remains agnostic to the choices of supervised learning algorithms used to estimate nuisance parameters. The paper presents asymptotic properties of the novel estimators and compares them theoretically and through extensive simulation experiments, demonstrating relative efficiency gains and supporting the recommendation for a doubly robust alternative to existing methods. Finally, the practical utility of the proposed methods is demonstrated by analyzing data from a multi-institution cohort of first-year medical residents in the United States (NeCamp et al., 2020).

Network compression is now a mature sub-field of neural network research: over the last decade, significant progress has been made towards reducing the size of models and speeding up inference, while maintaining the classification accuracy. However, many works have observed that focusing on just the overall accuracy can be misguided. E.g., it has been shown that mismatches between the full and compressed models can be biased towards under-represented classes. This raises the important research question, can we achieve network compression while maintaining "semantic equivalence" with the original network? In this work, we study this question in the context of the "long tail" phenomenon in computer vision datasets observed by Feldman, et al. They argue that memorization of certain inputs (appropriately defined) is essential to achieving good generalization. As compression limits the capacity of a network (and hence also its ability to memorize), we study the question: are mismatches between the full and compressed models correlated with the memorized training data? We present positive evidence in this direction for image classification tasks, by considering different base architectures and compression schemes.

Review score prediction requires review text understanding, a critical real-world application of natural language processing. Due to dissimilar text domains in product reviews, a common practice is fine-tuning BERT models upon reviews of differing domains. However, there has not yet been an empirical study of cross-domain behaviors of BERT models in the various tasks of product review understanding. In this project, we investigate text classification BERT models fine-tuned on single-domain and multi-domain Amazon review data. In our findings, though single-domain models achieved marginally improved performance on their corresponding domain compared to multi-domain models, multi-domain models outperformed single-domain models when evaluated on multi-domain data, single-domain data the single-domain model was not fine-tuned on, and on average when considering all tests. Though slight increases in accuracy can be achieved through single-domain model fine-tuning, computational resources and costs can be reduced by utilizing multi-domain models that perform well across domains.

Autonomous racing control is a challenging research problem as vehicles are pushed to their limits of handling to achieve an optimal lap time; therefore, vehicles exhibit highly nonlinear and complex dynamics. Difficult-to-model effects, such as drifting, aerodynamics, chassis weight transfer, and suspension can lead to infeasible and suboptimal trajectories. While offline planning allows optimizing a full reference trajectory for the minimum lap time objective, such modeling discrepancies are particularly detrimental when using offline planning, as planning model errors compound with controller modeling errors. Gaussian Process Regression (GPR) can compensate for modeling errors. However, previous works primarily focus on modeling error in real-time control without consideration for how the model used in offline planning can affect the overall performance. In this work, we propose a double-GPR error compensation algorithm to reduce model uncertainties; specifically, we compensate both the planner's model and controller's model with two respective GPR-based error compensation functions. Furthermore, we design an iterative framework to re-collect error-rich data using the racing control system. We test our method in the high-fidelity racing simulator Gran Turismo Sport (GTS); we find that our iterative, double-GPR compensation functions improve racing performance and iteration stability in comparison to a single compensation function applied merely for real-time control.

We describe ACE0, a lightweight platform for evaluating the suitability and viability of AI methods for behaviour discovery in multiagent simulations. Specifically, ACE0 was designed to explore AI methods for multi-agent simulations used in operations research studies related to new technologies such as autonomous aircraft. Simulation environments used in production are often high-fidelity, complex, require significant domain knowledge and as a result have high R&D costs. Minimal and lightweight simulation environments can help researchers and engineers evaluate the viability of new AI technologies for behaviour discovery in a more agile and potentially cost effective manner. In this paper we describe the motivation for the development of ACE0.We provide a technical overview of the system architecture, describe a case study of behaviour discovery in the aerospace domain, and provide a qualitative evaluation of the system. The evaluation includes a brief description of collaborative research projects with academic partners, exploring different AI behaviour discovery methods.

Due to their increasing spread, confidence in neural network predictions became more and more important. However, basic neural networks do not deliver certainty estimates or suffer from over or under confidence. Many researchers have been working on understanding and quantifying uncertainty in a neural network's prediction. As a result, different types and sources of uncertainty have been identified and a variety of approaches to measure and quantify uncertainty in neural networks have been proposed. This work gives a comprehensive overview of uncertainty estimation in neural networks, reviews recent advances in the field, highlights current challenges, and identifies potential research opportunities. It is intended to give anyone interested in uncertainty estimation in neural networks a broad overview and introduction, without presupposing prior knowledge in this field. A comprehensive introduction to the most crucial sources of uncertainty is given and their separation into reducible model uncertainty and not reducible data uncertainty is presented. The modeling of these uncertainties based on deterministic neural networks, Bayesian neural networks, ensemble of neural networks, and test-time data augmentation approaches is introduced and different branches of these fields as well as the latest developments are discussed. For a practical application, we discuss different measures of uncertainty, approaches for the calibration of neural networks and give an overview of existing baselines and implementations. Different examples from the wide spectrum of challenges in different fields give an idea of the needs and challenges regarding uncertainties in practical applications. Additionally, the practical limitations of current methods for mission- and safety-critical real world applications are discussed and an outlook on the next steps towards a broader usage of such methods is given.

Ensembles over neural network weights trained from different random initialization, known as deep ensembles, achieve state-of-the-art accuracy and calibration. The recently introduced batch ensembles provide a drop-in replacement that is more parameter efficient. In this paper, we design ensembles not only over weights, but over hyperparameters to improve the state of the art in both settings. For best performance independent of budget, we propose hyper-deep ensembles, a simple procedure that involves a random search over different hyperparameters, themselves stratified across multiple random initializations. Its strong performance highlights the benefit of combining models with both weight and hyperparameter diversity. We further propose a parameter efficient version, hyper-batch ensembles, which builds on the layer structure of batch ensembles and self-tuning networks. The computational and memory costs of our method are notably lower than typical ensembles. On image classification tasks, with MLP, LeNet, and Wide ResNet 28-10 architectures, our methodology improves upon both deep and batch ensembles.